{Antitumor Activity of Ionic Liquids Based on Ampicillin} - Ferraz, Ricardo; Costa-Rodrigues, Joao; Fernandes, Maria H.; Santos, Miguel M.; Marrucho, Isabel M.; Rebelo, Luis Paulo N.; Prudencio, Cristina; Noronha, Joao Paulo; Petrovski, Zeljko; Branco, Luis C. (CHEMMEDCHEM)
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{Beatus manuscripts under the microscope: the Alcobaca Beatus and the Iberian Cistercian tradition revisited} - Cavero, Alicia Miguelez; Melo, Maria Joao; Miranda, Maria Adelaide; Castro, Rita; Casanova, Conceicao (JOURNAL OF MEDIEVAL IBERIAN STUDIES)
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{Characterization of antiproliferative potential and biological targets of a copper compound containing 4'-phenyl terpyridine} - Ana Soraia Mendo; Sara Figueiredo; Catarina Roma-Rodrigues; Paula A. Videira; Zhen Ma; Diniz, Mario; Miguel Larguinho; Costa, Pedro M.; Lima, Joao C.; Armando J. L. Pombeiro; Pedro V. Baptista; Alexandra R. Fernandes ({JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY})
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{Singing with light: an interdisciplinary study on the medieval Ajuda Songbook} - Nabais, Paula; Castro, Rita; Lopes, Graca Videira; de Sousa, Luis Correia; Melo, Maria Joao (JOURNAL OF MEDIEVAL IBERIAN STUDIES)
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{Through the eyes of science and art: a fourteenth-century winter breviary from Alcobaca scriptorium} - Barreira, Catarina Fernandes; Melo, Maria Joao; Araujo, Rita; Casanova, Conceicao (JOURNAL OF MEDIEVAL IBERIAN STUDIES)
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{Mimicking Positive and Negative Copigmentation Effects in Anthocyanin Analogues by Host-Guest Interaction with Cucurbit{[}7]uril and beta-Cyclodextrins} - Basilio, Nuno; Cabrita, Luis; Pina, Fernando ({JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY})
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{Photocaged Competitor Guests: A General Approach Toward Light-Activated Cargo Release From Cucurbiturils} - Romero, Miguel A.; Basilio, Nuno; Artur J. Moro; Domingues, Mara; Gonzalez-Delgado, Jose A.; Arteaga, Jesus F.; Pischel, Uwe (CHEMISTRY-A EUROPEAN JOURNAL)
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{Development of oxygen and temperature sensitive membranes using molecular probes as ratiometric sensor} - Santoro, S.; Moro, A. J.; Portugal, C. A. M.; Crespo, J. G.; Coelhoso, I. M.; J. C. Lima (JOURNAL OF MEMBRANE SCIENCE)
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{Layered europium hydroxide system for phosphorous sensing and remediation} - Pereira, Claudia C. L.; Lima, Joao Carlos; Artur J. Moro; Monteiro, Bernardo (APPLIED CLAY SCIENCE)
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{Aggregation induced emission of gold(I) complexes in water or water mixtures} - Pinto, Andrea; Svahn, Noora; Lima, Joao Carlos; Rodriguez, Laura (DALTON TRANSACTIONS)
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{Tuning the Surface Chemistry of Nanoporous Carbons for Enhanced Nanoconfined Photochemical Activity} - Velasco, Leticia F.; Gomis-Berenguer, Alicia; Lima, Joao C.; Ania, Conchi O. (CHEMCATCHEM)
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{CO2 capture and reversible release using mono-saccharides and an organic superbase} - Carrera, Goncalo V. S. M.; Jordao, Noemi; Branco, Luis C.; da Ponte, Manuel Nunes (JOURNAL OF SUPERCRITICAL FLUIDS)
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{14th European Meeting on Supercritical Fluids, Marseille, FRANCE, MAY 18-21, 2014}

{Drug Delivery by Controlling a Supramolecular Host-Guest Assembly with a Reversible Photoswitch} - Basilio, Nuno; Pischel, Uwe (CHEMISTRY-A EUROPEAN JOURNAL)
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{Drifting in the oceans: Isarachnanthus nocturnus (Cnidaria, Ceriantharia, Arachnactidae), an anthozoan with an extended planktonic stage} - Stampar, Sergio N.; Morandini, Andre C.; Branco, Laura C.; da Silveira, Fabio Lang; Migotto, Alvaro E. (MARINE BIOLOGY)
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{Monitoring oxygen permeation through polymeric packaging films using a ratiometric luminescent sensor} - Santoro, S.; Moro, A. J.; Portugal, C.; Crespo, J. G.; J. C. Lima; Coelhoso, I. M. (JOURNAL OF FOOD ENGINEERING)
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{Non-invasive identification of traditional red lake pigments in fourteenth to sixteenth centuries paintings through the use of hyperspectral imaging technique} - Vitorino, T.; Casini, A.; Cucci, C.; Melo, MJ; Picollo, M.; Stefani, L. ({APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING})
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{4-MUF-NAG for fungal biomass determination: Scope and limitations in the context of biodeterioration studies} - Sequeira, Silvia Oliveira; Coutinho, Mathilda L.; Lima, Joao C.; Phillips, Alan J. L.; Macedo, Maria F.; Cabrita, Eurico J. (JOURNAL OF CULTURAL HERITAGE)
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{Photoluminescent Nanocrystals in a Multicomponent Aluminoborosilicate Glass} - Ruivo, Andreia; Ferro, Marta; Andrade, Suzana M.; Rocha, Joao; Pina, Fernando; Laia, Cesar A. T. (JOURNAL OF PHYSICAL CHEMISTRY C)
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{A novel red emitting material based on polyoxometalate@periodic mesoporous organosilica} - Granadeiro, Carlos M.; Ribeiro, Susana O.; Kaczmarek, Anna M.; Cunha-Silva, Luis; Almeida, Pedro L; Gago, Sandra; Van Deun, Rik; Baltazar de Castro; Balula, Salete S. (MICROPOROUS AND MESOPOROUS MATERIALS)
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{Novel ionic liquids for interfacial and tribological applications} - Tiago, G.; Restolho, J.; Forte, A.; Colaco, R.; Branco, L. C.; Saramago, B. ({COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS})
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{Counterion-Controlled Self-Sorting in an Amphiphilic Calixarene Micellar System} - Fernandez-Abad, Silvia; Pessego, Marcia; Basilio, Nuno; Garcia-Rio, Luis (CHEMISTRY-A EUROPEAN JOURNAL)
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{Hydrogenation of Carbon Dioxide to Methane by Ruthenium Nanoparticles in Ionic Liquid} - Melo, Catarina I.; Szczepanska, Anna; Bogel-Lukasik, Ewa; da Ponte, Manuel Nunes; Branco, Luis C. (CHEMSUSCHEM)
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{Anthocyanins and derivatives are more than flavylium cations} - Pina, Fernando; Oliveira, Joana; de Freitas, Victor (TETRAHEDRON)
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{Photochemistry of the hemiketal form of anthocyanins and its potential role in plant protection from UV-B radiation} - Costa, Damien; Galvao, Adelino M.; Di Paolo, Roberto E.; Freitas, Adilson A.; Lima, Joao C.; Quina, Frank H.; Macanita, Antonio L. (TETRAHEDRON)
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{2,2'-Spirobis{[}chromene] Derivatives Chemistry and Their Relation with the Multistate System of Anthocyanins} - Artur J. Moro; A. Jorge Parola; Pina, Fernando; Pana, Ana-Maria; Badea, Valentin; Pausescu, Iulia; Shova, Sergiu; Cseh, Liliana (JOURNAL OF ORGANIC CHEMISTRY)
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{BioCode gold-nanobeacon for the detection of fusion transcripts causing chronic myeloid leukemia} - M Cordeiro; Giestas, L; J. C. Lima; Baptista, P. M. V. (JOURNAL OF NANOBIOTECHNOLOGY)
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{Boosting visible light conversion in the confined pore space of nanoporous carbons (vol 96, pg 98, 2015)} - Gomis-Berenguer, Alicia; Iniesta, Jesus; Artur Moro; Maurino, Valter; Lima, Joao C.; Ania, Conchi O. (CARBON)
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{Origin of the Metastable Stability in Flavylium Multistate Systems} - Vesselin Petrov; Slavcheva, Stoyanka; Stanimirov, Stanislav; Pina, Fernando (JOURNAL OF PHYSICAL CHEMISTRY A)
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{Recognition of bio-relevant dicarboxylate anions by an azacalix{[}2]arene{[}2]triazine derivative decorated with urea moieties} - Santos, Miguel M.; Marques, Igor; Carvalho, Silvia; Moiteiro, Cristina; Felix, Vitor (ORGANIC & BIOMOLECULAR CHEMISTRY)
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{Extending the Study of the 6,8 Rearrangement in Flavylium Compounds to Higher pH Values: Interconversion between 6-Bromo and 8-Bromo-apigeninidin} - Cruz, Luis M.; Basilio, Nuno M.; de Freitas, Victor A.; Lima, Joao C.; Pina, Fernando J. (CHEMISTRYOPEN)
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{Influence of the structural features of amino-based pyranoanthocyanins on their acid-base equilibria in aqueous solutions} - Oliveira, Joana; Araujo, Paula; Fernandes, Ana; Bras, Natercia F.; Mateus, Nuno; Pina, Fernando; de Freitas, Victor (DYES AND PIGMENTS)
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{A journey from calix{[}4]arene to calix{[}6] and calix{[}8]arene reveals more than a matter of size. Receptor concentration affects the stability and stoichiometric nature of the complexes} - Lavande, Nitin; Acuna, Angel; Basilio, Nuno; Francisco, Vitor; Malkhede, Dipalee D.; Garcia-Rio, Luis (PHYSICAL CHEMISTRY CHEMICAL PHYSICS)
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Photorheological Ionic Liquids - Avo, Joao; Cidade, M.T.; Rodriguez, Vincent; Lima, Joao C.; Jorge Parola, A. (JOURNAL OF PHYSICAL CHEMISTRY B)
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{Thermodynamic Aspects of Aurophilic Hydrogelators} - Gavara, Raquel; Aguilo, Elisabet; Guerra, Celia Fonseca; Rodriguez, Laura; Lima, Joao Carlos (INORGANIC CHEMISTRY)
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{pH-Driven self-sorting in a four component host-guest system} - Basilio, Nuno; Mendoza, Johan; Gago, Sandra; A. Jorge Parola (CHEMICAL COMMUNICATIONS)
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{The contributions of molecular vibrations and higher triplet levels to the intersystem crossing mechanism in metal-free organic emitters} - Huang, Rongjuan; Avo, Joao; Northey, Thomas; Chaning-Pearce, E.; dos Santos, Paloma L.; Ward, Jonathan S.; Data, Przemyslaw; Etherington, Marc K.; Fox, Mark A.; Penfold, Thomas J.; Berberan-Santos, Mario N.; Lima, Joao C.; et al. (JOURNAL OF MATERIALS CHEMISTRY C)
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{A Multistate Molecular Switch Based on the 6,8-Rearrangement in Bromo-apigeninidin Operated with pH and Host- Guest Inputs} - Basilio, Nuno; Cruz, Luis; de Freitas, Victor; Pina, Fernando (JOURNAL OF PHYSICAL CHEMISTRY B)
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{Boosting visible light conversion in the confined pore space of nanoporous carbons} - Gomis-Berenguer, Alicia; Iniesta, Jesus; Artur Moro; Maurino, Valter; Lima, Joao C.; Ania, Conchi O. (CARBON)
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{Colour degradation in medieval manuscripts} - Melo, Maria Joao; Araujo, Rita; Castro, Rita; Casanova, Conceicao (MICROCHEMICAL JOURNAL)
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{Contrasting pK(a) Shifts in Cucurbit{[}7]uril Host-Guest Complexes Governed by an Interplay of Hydrophobic Effects and Electrostatic Interactions} - Basilio, Nuno; Gago, Sandra; Jorge Parola, A.; Pina, Fernando (ACS OMEGA)
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{Electrochromic Devices Based on Disubstituted Oxo-Bipyridinium Ionic Liquids} - Jordao, Noemi; Cruz, Hugo; Branco, Aida; Pina, Fernando; Branco, Luis C. (CHEMPLUSCHEM)
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{PEDOT electrodeposition on oriented mesoporous silica templates for electrochromic devices} - Fonseca, Sofia M.; Moreira, Tiago; Jorge Parola, A.; Pinheiro, Carlos; Laia, Cesar A. T. (SOLAR ENERGY MATERIALS AND SOLAR CELLS)
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{pH-Tunable Fluorescence and Photochromism of a Flavylium-Based MCM-41 Pigment} - Gago, Sandra; Pessego, Marcia; Laia, Cesar A. T.; Jorge Parola, A. (ACS OMEGA)
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{Structures and Properties of Luminescent Pentanitratoeuropate(III) Ionic Liquids} - Zhao, Ying; He, Ling; Tang, Ning; Qin, Song; Tao, Guo-Hong; Liang, Fu-Xin (EUROPEAN JOURNAL OF INORGANIC CHEMISTRY)
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{Synthesis of Cadmium Selenide Quantum Dots, Using 2,2-Bipyridine as a Capping and Phase Transfer Agent} - Sousa, David M.; Lima, Joao Carlos; Ferreira, Isabel (CHEMISTRYSELECT)
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{Characterization of a Novel Intrinsic Luminescent Room-Temperature Ionic Liquid Based on {[}P-6,P-6,P-6,P-14]{[}ANS]} - Delgado, Joana M.; Raymundo, Anabela; Vilarigues, Marcia; Branco, Luis C.; Laia, Cesar A. T. (CHEMISTRY-A EUROPEAN JOURNAL)
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{Development of fluorescent thermoresponsive nanoparticles for temperature monitoring on membrane surfaces} - Santoro, S.; Sebastian, V.; Moro, A. J.; Portugal, C. A. M.; J. C. Lima; Coelhoso, I. M.; Crespo, J. G.; Mallada, R. (JOURNAL OF COLLOID AND INTERFACE SCIENCE)
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{Hiding and unveiling trans-chalcone in a constrained derivative of 4 `,7-dihydroxyflavylium in water: a versatile photochromic system} - Pessego, Marcia; Gago, Sandra; Basilio, Nuno; Laia, Cesar A. T.; Jorge Parola, A.; Lima, Joao C.; Pina, Fernando (ORGANIC & BIOMOLECULAR CHEMISTRY)
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{Characterization of Kinetic and Thermodynamic Parameters of Cyanidin-3-glucoside Methyl and Glucuronyl Metabolite Conjugates} - Cruz, Luis; Basilio, Nuno; Mateus, Nuno; Pina, Fernando; de Freitas, Victor (JOURNAL OF PHYSICAL CHEMISTRY B)
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{Excited-State Proton Transfer in Confined Medium. 4-Methy1-7-hydroxyflavylium and beta-Naphthol Incorporated in Cucurbit{[}7]uril} - Basilio, Nuno; Laia, Cesar A. T.; Pina, Fernando (JOURNAL OF PHYSICAL CHEMISTRY B)
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{Evidence against the Twisted Intramolecular Charge Transfer (TICT) model in 7-aminoflavylium derivatives} - Avo, Joao; Vesselin Petrov; Basilio, Nuno; Jorge Parola, A.; Pina, Fernando (DYES AND PIGMENTS)
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{2nd International Caparica Congress on Chromogenic and Emissive Materials (IC3EM) - Light of Colours, the Colours of Light, Caparica, PORTUGAL, SEP, 2016}

{Host-Guest Complexes of Flavylium Cations and Cucurbit{[}7]uril: The Influence of Flavylium Substituents on the Structure and Stability of the Complex} - Basilio, Nuno; Vesselin Petrov; Pina, Fernando (CHEMPLUSCHEM)
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{Molecular Weight Determination by Luminescent Chemo-enzymatics} - Rita F. Pires; Artur Moro; Lourenco, Anita; Lima, Joao C.; Casimiro, Teresa; Bonifacio, Vasco D. B. (CHEMISTRYSELECT)
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{Binding of the five multistate species of the anthocyanin analog 7-beta-D-glucopyranosyloxy-4'-hydroxyflavylium to the beta-cyclodextrin derivative captisol} - Mendoza, Johan; Basilio, Nuno; Dangles, Olivier; Mora, Nathalie; Al Bittar, Sheiraz; Pina, Fernando (DYES AND PIGMENTS)
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{Sulfur-mediated photochemical energy harvesting in nanoporous carbons} - Gomis-Berenguer, Alicia; Seredych, Mykola; Iniesta, Jesus; Lima, Joao C.; Bandosz, Teresa J.; Ania, Conchi O. (CARBON)
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{The preferred chromatic composition of unfamiliar paintings is similar to original} - Nascimento, Sergio M. C.; Linhares, Joao M. M.; Joao, Catarina A. R.; Amano, Kinjiro; Montagner, Cristina; Melo, Maria J.; Vilarigues, Marcia; de Freitas, Maria Helena; Alfaro, Catarina; Bailao, Ana (PERCEPTION)
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{Effect of beta-Cyclodextrin on the Multistate Species Distribution of 3-Methoxy-4',7-dihydroxyflavylium. Discrimination of the Two Hemiketal Enantiomers} - Gago, Sandra; Basilio, Nuno; Quintas, Alexandre; Pina, Fernando ({JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY})
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{28th International Conference on Polyphenols, Tech Univ Wien, Vienna, AUSTRIA, JUL 11-15, 2016}

{Effect of Methyl, Hydroxyl, and Chloro Substituents in Position 3 of 3,4,7-Trihydroxyflavylium: Stability, Kinetics, and Thermodynamics} - Alejo-Armijo, Alfonso; Salido, Sofia; Altarejos, Joaquin; A. Jorge Parola; Gago, Sandra; Basilio, Nuno; Cabrita, Luis; Pina, Fernando (CHEMISTRY-A EUROPEAN JOURNAL)
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{Tetramethylguanidine-based gels and colloids of cellulose} - Carrera, Goncalo V. S. M.; Raymundo, Anabela; Braz Fernandes, Francisco M.; Jordao, Noemi; Sousa, Isabel; da Ponte, Manuel Nunes; Branco, Luis C. (CARBOHYDRATE POLYMERS)
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{Task-specific Ionic Liquids Based on Sulfur for Tribological Applications} - Cosme, Joao; Bastos, Pedro D. A.; Catela, Isabelle; Silva, Diana; Colaco, Rogerio; Branco, Luis C.; Benilde Saramago (CHEMISTRYSELECT)
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{A non-invasive optical method for mapping temperature polarization in direct contact membrane distillation} - Santoro, S.; Vidorreta, I. M.; Sebastian, V.; Moro, A.; Coelhoso, I. M.; Portugal, C. A. M.; J. C. Lima; Desiderio, G.; Lombardo, G.; Drioli, E.; Mallada, R.; Crespo, J. G.; et al. (JOURNAL OF MEMBRANE SCIENCE)
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{Features combination for art authentication studies: brushstroke and materials analysis of Amadeo de Souza-Cardoso} - Montagner, Cristina; Jesus, Rui; Correia, Nuno; Vilarigues, Marcia; Macedo, Rita; Melo, Maria Joao (MULTIMEDIA TOOLS AND APPLICATIONS)
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{The effect of three luminescent ionic liquids on corroded glass surfaces - A first step into stained-glass cleaning} - Delgado, J. M.; Nunes, D.; E. Fortunato; Laia, C. A. T.; Branco, L. C.; Vilarigues, M. (CORROSION SCIENCE)
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{A blue 4 `,7-diaminoflavylium cation showing an extended pH range stability} - Tron, A.; Gago, S.; McClenaghan, N. D.; A. J. Parola; Pina, F (PHYSICAL CHEMISTRY CHEMICAL PHYSICS)
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{Deep eutectic solvents (DESs) as low-cost and green electrolytes for electrochromic devices} - Cruz, Hugo; Jordao, Noemi; Branco, Luis C. (GREEN CHEMISTRY)
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{Effect of water content on the acid-base equilibrium of cyanidin-3-glucoside} - Coutinho, Isabel B.; Freitas, Adilson; Macanita, Antonio L.; J. C. Lima (FOOD CHEMISTRY)
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{MechanoAPI-ILs: Pharmaceutical Ionic Liquids Obtained through Mechanochemical Synthesis} - Martins, Ines C. B.; Conceicao Oliveira, M.; Diogo, Herminio P.; Branco, Luis C.; Duarte, M. Teresa (CHEMSUSCHEM)
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Automatic Generation of Contracts for Concurrent Java Programs - Pereira, H. G.; Sousa, D. G.; Bradbury, J. S.; Lourenço, J. M.

Empowering a Relational Database with Lazy State Determination - Thales, P.; Vale, T. M.; Dias, R.J.; Lourenço, J. M.

OSCAR: A Noise Injection Framework for Concurrent Java Programs - Luna, F.; Bradbury, J. S.; Lourenço, J. M.

(untitled)
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{A coumarin based gold(I)-alkynyl complex: a new class of supramolecular hydrogelators} - Artur J. Moro; Rome, Bertrand; Aguilo, Elisabet; Arcau, Julia; Puttreddy, Rakesh; Kari Rissanen; Lima, Joao Carlos; Rodriguez, Laura (ORGANIC & BIOMOLECULAR CHEMISTRY)
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{Biocompatible locust bean gum mesoporous matrices prepared by ionic liquids and a scCO(2) sustainable system} - Ventura, Marcia G.; Paninho, Ana I.; Nunes, Ana V. M.; Fonseca, Isabel M.; Branco, Luis C. (RSC ADVANCES)
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{CO2 capture systems based on saccharides and organic superbases} - Carrera, G. V. S. M.; Jordao, N.; Branco, L. C.; Nunes da Ponte, M. (FARADAY DISCUSSIONS)
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{Competitive counterion complexation allows the true host : guest binding constants from a single titration by ionic receptors} - Pessego, Marcia; Basilio, Nuno; Carmen Muniz, M.; Garcia-Rio, Luis (ORGANIC & BIOMOLECULAR CHEMISTRY)
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{Contrast Enhancement in Polymeric Electrochromic Devices Encompassing Room Temperature Ionic Liquids} - Zanarini, Simone; Garino, Nadia; Nair, Jijeesh Ravi; Francia, Carlotta; Pawel Jerzy Wojcik; Pereira, Luis; Elvira Fortunato; Rodrigo Martins; Bodoardo, Silvia; Penazzi, Nerino (INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE)
\{We report the preparation and spectro-electrochemical characterization of electrochromic devices (ECD) combining inkjet-printed WO3 as cathode and electro-deposited V2O5 as anode. ECD were prepared for the first time with an optimized formulation of gel polymer electrolyte based on Bisphenol A ethoxylate dimethacrylate and Poly(ethylene glycol) methyl ether methacrylate (BEMA/PEGMA) encompassing the Room Temperature Ionic Liquid (RTIL, 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide) as solvent. The UV-VIS spectrum of ECD was recorded at different potentials during Li+ insertion and de-insertion; additionally the Percent Trasmittance (T%) of ECD vs. time was investigated during repeated bleaching and coloring cycles allowing thus the estimation of switching times and device stability. Due to the lower ionic conductivity and the apparent superior solvent permeability within WO3 active layer, RTIL containing ECD showed slower switching times, but higher contrast with respect to the similar ones with EC/DEC as solvent. These results indicate that the ECD containing environment-friendly RTIL electrolytes are suitable for applications requiring high contrast, high safety and moderately fast switching times.\}
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{Dipolar motions and ionic conduction in an ibuprofen derived ionic liquid} - M. T. Viciosa; G. Santos; Costa, A.; Danede, F.; Branco, L. C.; Jordao, N.; N. T. Correia; Dionisio, M. (PHYSICAL CHEMISTRY CHEMICAL PHYSICS)
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{Effect of solvent polarity on the spectroscopic properties of an alkynyl gold(I) gelator. The particular case of water} - Gavara, Raquel; Lima, Joao Carlos; Rodriguez, Laura (PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES)
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Estimating the Colors of Paintings - Nascimento, Sergio M. C.; Linhares, Joao M. M.; Joao, Catarina A. R.; Amano, Kinjiro; Montagner, Cristina; Melo, Maria J.; Vilarigues, Marcia ({COMPUTATIONAL COLOR IMAGING, CCIW 2015})
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{5th International Computational Color Imaging Workshop (CCIW), Saint Etienne, FRANCE, MAR 24-26, 2015}

{Exploring the charged nature of supramolecular micelles based on p-sulfonatocalix{[}6]arene and dodecyltrimethylammonium bromide} - Basilio, Nuno; Spudeit, Daniel Alfonso; Bastos, Juliana; Scorsin, Leandro; Fiedler, Haidi D.; Nome, Faruk; Garcia-Rio, Luis (PHYSICAL CHEMISTRY CHEMICAL PHYSICS)
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{Exploring the diethylaminoflavylium derivatives multistate system of chemical reactions in the presence of CTAB micelles: thermodynamic reversibility achieved through different kinetic pathways} - Pessego, Marcia; Basilio, Nuno; Mendoza, Johan; Avo, Joao; Cunha-Silva, Luis; A. Jorge Parola; Pina, Fernando (RSC ADVANCES)
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{Exploring the potential of laser assisted flow deposition grown ZnO for photovoltaic applications} - Rodrigues, J.; Cerqueira, A F R; Sousa, M G; Santos, N F; Pimentel, A.; E. Fortunato; da Cunha, A F; Monteiro, T.; Costa, F.M. (Materials Chemistry and Physics)
Zinc oxide (ZnO) is a widely studied wide band gap semiconductor with applications in several fields, namely to enhance solar cells efficiency. Its ability to be grown in a wide variety of nanostructured morphologies, allowing the designing of the surface area architecture constitutes an important advantage over other semiconductors. Laser assisted flow deposition (LAFD) is a recently developed growth method, based on a vapour-solid mechanism, which proved to be a powerful approach in the production of ZnO micro/nanostructures with different morphologies as well as high crystallinity and optical quality. In the present work we report the use of the LAFD technique to grow functional ZnO nanostructures (nanoparticles and tetrapods) working as nano templates to improve the dye-sensitized solar cells (DSSCs) efficiency. The structural and morphological characterization of the as-grown ZnO crystals were performed by X-ray diffraction and electron microscopy, respectively, and the optical quality was assessed by photoluminescence spectroscopy. DSSCs were produced using a combination of these nanostructures, which were subsequently sensitized with N719 dye. An efficiency of ∼3{%} was achieved under simulated AM 1.5 illumination conditions for a dye loading time of 1 h.
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Keywords: Electron microscopy; Nanostructures; Photoluminescence spectroscopy; Semiconductors

{Flavylium based dual photochromism: addressing cis-trans isomerization and ring opening-closure by different light inputs} - Gago, Sandra; Basilio, Nuno; Artur J. Moro; Pina, Fernando (CHEMICAL COMMUNICATIONS)
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{gamma-Cyclodextrin modulates the chemical reactivity by multiple complexation} - Fernandez-Rosas, J.; Pessego, M.; Cepeda-Plaza, M.; Basilio, N.; Parajo, M.; Rodriguez-Dafonte, P.; Garcia-Rio, L. (ORGANIC & BIOMOLECULAR CHEMISTRY)
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{Inkjet printed highly porous TiO2 films for improved electrical properties of photoanode} (JOURNAL OF COLLOID AND INTERFACE SCIENCE)
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{Light activated molecular machines and logic gates: general discussion} - Bassani, Dario M.; Cucinotta, Fabio; Bohne, Cornelia; Basilio, Nuno; Lemon, Christopher; Allain, Clemence; Sundstrom, Villy; Campagna, Sebastiano; Rohacova, Jana; Ketteler, Yvonne; Ryan, Sean T. J.; Vos, Johannes; et al. (FARADAY DISCUSSIONS)
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{Mononuclear copper(II) complexes of an arylhydrazone of 1H-indene-1,3(2H)-dione as catalysts for the oxidation of 1-phenylethanol in ionic liquid medium} - Tiago, Gonalo A. O.; Ribeiro, Ana P. C.; Kamran T Mahmudov; Guedes da Silva, M. Fatima C.; Branco, Luis C.; Armando J. L. Pombeiro (RSC ADVANCES)
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{Recent Advances of Metallocenes for Medicinal Chemistry} - Santos, Miguel M.; Bastos, Pedro; Catela, Isabelle; Zalewska, Karolina; Branco, Luis C. (MINI-REVIEWS IN MEDICINAL CHEMISTRY)
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{Reversible systems based on CO2, amino-acids and organic superbases} - Carrera, Goncalo V. S. M.; Jordao, Noemi; Santos, Miguel M.; da Ponte, Manuel Nunes; Branco, Luis C. (RSC ADVANCES)
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{Self-organization of photo-active nanostructures: general discussion} - Pikramenou, Zoe; Weinstein, Julia; Pan, Qing; Lewis, Frederick; Bassani, Dario M.; Wuerthner, Frank; Moucheron, Cecile; Slota, Michael; Diaz-Moscoso, Alejandro; Karlsson, Joshua; Basilio, Nuno; Adams, Dave; et al. (FARADAY DISCUSSIONS)
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{Spatiotemporal control over the co-conformational switching in pH-responsive flavylium-based multistate pseudorotaxanes} - Diniz, Ana Marta; Basilio, Nuno; Cruz, Hugo; Pina, Fernando; A. Jorge Parola (FARADAY DISCUSSIONS)
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{Switchable electrochromic devices based on disubstituted bipyridinium derivatives} - Jordao, Noemi; Cruz, Hugo; Branco, Aida; Pinheiro, Carlos; Pina, Fernando; Branco, Luis C. (RSC ADVANCES)
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{Synthesis and multistate characterization of bis-flavylium dications - symmetric resorcinol- and phloroglucinol-type derivatives as stochastic systems} - Basilio, N.; Garnier, T.; Avo, J.; Danel, M.; Chassaing, S.; Pina, F (RSC ADVANCES)
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{Tuning supramolecular aurophilic structures: the effect of counterion, positive charge and solvent} - Aguilo, Elisabet; Gavara, Raquel; Baucells, Clara; Guitart, Marta; Lima, Joao Carlos; Llorca, Jordi; Rodriguez, Laura (DALTON TRANSACTIONS)
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{WO3 Nanoparticle-Based Conformable pH Sensor} - Santos, Lidia; Neto, Joana P.; Crespo, Ana; Nunes, Daniela; Costa, Nuno; Fonseca, Isabel M.; Barquinha, Pedro; Pereira, Luis; Silva, Jorge; Rodrigo Martins; Elvira Fortunato (ACS APPLIED MATERIALS & INTERFACES)
\{pH is a vital physiological parameter that can be used for disease diagnosis and treatment as well as in monitoring other biological processes. Metal/metal oxide based pH sensors have several advantages regarding their reliability, miniaturization, and cost-effectiveness, which are critical characteristics for in vivo applications. In this work, WO3 nanoparticles were electrodeposited on flexible substrates over metal electrodes with a sensing area of 1 mm(2). These sensors show a sensitivity of -56.7 +/- 1.3 mV/pH, in a wide pH range of 9 to 5. A proof of concept is also demonstrated using a flexible reference electrode in solid electrolyte with a curved surface. A good balance between the performance parameters (sensitivity), the production costs, and simplicity of the sensors was accomplished, as required for wearable biomedical devices.\}
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The colour of moving images: reconstructing Winsor & Newton 19th-century watercolours for Magic Lantern glass painting - Ângela Santos; Beatriz Rodrigues; Otero, Vanessa; Vilarigues, Márcia (8th Interim Meeting of the ICOM-CC Art Technological Source Research Working Group)

Debitus grisailles for stained-glass conservation: an analytical study - Carla Machado; Andreia Machado; Teresa Palomar; Luis Cerqueira Alves; Vilarigues, Márcia (Conservar Património)

InSmart – A methodology for combining modelling with stakeholder input towards EU cities decarbonisation. - Sofia G. Simoes; Dias, Luis; Gouveia, João Pedro; Júlia Seixas; Rocco de Miglio; Gargiulo, Maurizio; Gavin Long; George Giannakidis (Journal of Cleaner Production)

{Piezoelectric Paper Energy Harvesters Based on Microwave-Assisted Grown ZnO Rods} - Rovisco, Ana; Barquinha, Pedro; Pereira, Luis; Rodrigo Martins; Elvira Fortunato; Gaspar, Cristina; Martins, Jorge; António, Margarida; dos Santos, Andreia; Silva, Tiago; Morais, Maria (Nanoenergy Communications, 2026)
The growing energy demand, combined with the rising volume of e-waste, demands an urgent search for sustainable energy-harvesting devices. Among the several energy sources, mechanical energy is the most explored due to its abundance. In this context, piezoelectric energy harvesters have great potential, as they leverage the synergy between tribo- and piezoelectric effects to convert mechanical into electrical energy with high efficiency. Herein, the potential of sustainable materials to produce paper-based energy harvesters is explored. Specifically, paper is used as both active layer and substrate and the response of devices based on this material in different forms (pristine, embedded with matrices of cellulose derivatives and embedded with composites of hydrothermally synthesized one-dimensional zinc oxide—ZnO—particles and polymeric matrices) is evaluated. Different architectures were studied, namely the active layer sandwiched between two commercial electrodes and devices based on paper substrates with screen-printed silver electrodes. Among these, a maximum output of (3.5 ± 0.8) V was obtained with devices based on Whatman paper embedded with ZnO/ethylcellulose nanocomposites sandwiched between commercial electrodes, and the same active layer with screen-printed electrodes yielded an output voltage of (0.29 ± 0.01) V, for an impact force of 10 N. The present results thus represent a promising avenue for the development of sustainable devices, paving the way for eco-friendly, cost-effective and versatile energy-harvesting technologies.
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Keywords: energy harvesting; Paper; piezoelectricity; triboelectricity; Zinc oxide

{Solution Combustion Synthesis of ZTO and Ag-Doped ZTO Nanostructures} - Viegas, Jaime; Peres, Luciana; Ferrite, Luca; Elvira Fortunato; Rodrigo Martins; Rovisco, Ana; Rita Branquinho (The 5th International Online Conference on Nanomaterials, 2026)
The growth of the Internet of Things (IoT) has increased the demand for low-cost nanostructured materials. Zinc tin oxide (ZTO) has been widely used as an alternative to current semiconductor technologies, but its production methods remain expensive. Combustion synthesis is a green, low-cost alternative that may allow us to reduce the complexity of ZTO production. In this work, zinc and tin-based nanostructures were produced through combustion synthesis using water and ethanol as solvents and different precursor solutions ratios (1:2, 1:1, and 2:1). The influence of ethylenediamine (EDA) on the crystallographic phase of 2:1 samples of both solvents and Ag doping on 2:1 ethanol samples was also studied. Samples produced with a 2:1 ratio presented a predominance of ZnO, while the 1:1 and 2:1 samples presented a mixture of ZnO, SnO2, and ZnSnO3. The use of EDA in the 2:1 ethanol and water samples led to the growth of ZnO after annealing at 600 °C. For the ZTO-Ag samples, X-ray diffraction (XRD) and Raman analysis also revealed the presence of ZnO after annealing at 600 °C. This work showed it is possible to produce ZTO nanostructures through solution combustion synthesis.
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Keywords: Ag doping; solution combustion synthesis; ZTO

{Optimizing the performance of piezoelectric pressure sensors: the key role of ZnO particles' properties} - Morais, Maria; Rovisco, Ana; Ana Pimentel; Martins, Jorge; Deuermeier, Jonas; Pedrosa, André; Elvira Fortunato; Rodrigo Martins; Gamboa, Hugo; Barquinha, Pedro (Materials Today Communications, 2026)
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Hierarchical Twist: Chirality Across Scales in Cellulose Cholesterics - Monge, N.; Pinto, LFV; Ferreira, E.; P. L. Almeida; J. L. Figueirinhas; Carvalho, A. L.; P.J. Sebastião; M. H. Godinho (Advanced Optical MaterialsAdvanced Optical Materials, 2026)
Abstract One of the unresolved aspects of cellulose-based liquid crystalline phases is their chirality. Although cellulose is intrinsically chiral, both left-handed (LH) and right-handed (RH) chiral nematic phases are reported in cellulose derivatives under different conditions. The origin of these discrepancies?and whether LH and RH twisted structures coexist within a single material?has remained unclear. Here, the first direct evidence of hierarchical LH and RH twisted structures coexisting in a solvent-free, thermotropic cellulose derivative at room temperature is provided. Free-standing cholesteric films exhibit distinct LH and RH twisted domains, whose pitches respond oppositely to uniaxial mechanical strain: the LH pitch increases, while the RH pitch decreases with increasing strain. This contrasting response results from the coexistence of intertwined LH and RH twisted structures, whose optical axes are oriented differently relative to the strain direction. Notably, after stretching beyond their elastic limit, the films spontaneously recover their original shape within minutes. During this recovery, circular dichroism (CD) measurements reveal an increase in RH pitch and a decrease in LH pitch, evidencing reversible, strain-responsive behavior. Multiscale structural characterization confirms the hierarchical chiral organization and its mechanoresponsive nature, providing new insights into the origin of chirality in cellulose-based liquid crystalline materials.
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Keywords: chiral nematic liquid crystals; hierarchical twisted supramolecular structures; mechanoresponsive materials; thermotropic cellulose derivatives

Noncatalytic surface electrostatic networks tune thermolability in uracil-DNA glycosylase - Simões, Rita S.M.; Teodoro, João S.; Alves, Victor D.; Ana Luísa Carvalho; Fontes, Carlos M. G. A.; Bule, Pedro (2026)
Uracil-DNA glycosylases (UDGs) are widely used to prevent carryover contamination in nucleic acid amplification–based diagnostics; however, existing thermolabile UDGs exhibit limited thermal inactivation windows for emerging applications. Here, we combine evolutionary mining, structural analysis, and structure-guided saturation mutagenesis to define non-catalytic determinants that tune UDG thermolability without compromising catalytic function. From 8482 bacterial UDG sequences, we assembled a 24-member diversity panel and identified UDG_7 as a naturally thermolabile scaffold coupling robust low-temperature activity with sharp inactivation near 45 °C. The crystal structure of UDG_7 reveals a canonical family-I α/β fold with a fully conserved active site, closely resembling both mesophilic human and Escherichia coli UDGs and thermolabile cod UDG. These structural insights guided the design of a single-site variant library targeting 48 non-catalytic positions involved in packing and electrostatic networks. Pooled thermal shift assays distinguished a rigid structural core from 16 surface thermolability hotspots. A high-throughput functional screening of 480 single mutants yielded 114 clones with a desirable “on–off–off” profile and, after sequence consolidation, identified 54 unique variants that retained activity at 25 °C but lost activity at 30 to 37.5 °C. Biochemical characterization revealed nine single substitutions, Q51I, T112Y, V144M, D167F, R201F, R201Y, D219M, R221P, and R221D, that markedly lower the melting temperature while preserving near-native activity. Together, these results indicate that UDG_7 thermolability is encoded by a distributed, surface-biased electrostatic network that can be selectively disrupted without perturbing the conserved catalytic core, shifting the functional inactivation boundary downward and supporting robust carryover control under low-temperature amplification constraints.
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Keywords: carryover contamination; electrostatics; enzyme inactivation; enzyme mutation; enzyme structure; psychrophilic enzymes; Site-directed mutagenesis; thermolability; thermostability; uracil-DNA glycosylase

Structural Insights Into CO2 Transport Pathways in a W-Formate Dehydrogenase: Structural Basis for CO2 Reduction - Vilela-Alves, Guilherme; Manuel, Rita Rebelo; Martins, Guilherme; Philippe Carpentier; Raczyńska, Agata; Szaleniec, Maciej; Pereira, Inês A. Cardoso; Romão, Maria João; Mota, Cristiano (Angewandte Chemie International EditionAngewandte Chemie International Edition, 2026)
ABSTRACT Mo/W-dependent formate dehydrogenases (Fdhs) catalyze the reversible reduction of CO2 to formate and are key biocatalysts with high potential for CO2 capture/conversion technologies. Although previous studies have suggested the presence of two substrate-access tunnels in Fdhs, experimental evidence for CO2-specific pathways has been lacking. Here, we present an integrated study of Nitratidesulfovibrio vulgaris FdhAB combining crystallography, molecular dynamics simulations, mutagenesis, and kinetic assays. NvFdhAB crystals pressurized with Kr, O2, and CO2 were used to map gas diffusion routes and uncovered a substrate-retention site consistently occupied by small molecules in multiple crystal structures. Our results indicate that both substrates mostly use the main tunnel to reach this retention site, but H2O and CO2 can also enter through a novel side branch before following a shared route to the buried W active site. The retention site, located at the junction of both tunnels, plays a synergistic role in enhancing CO2 reduction by increasing substrate concentration near the catalytic center, thereby improving catalytic efficiency. Notably, variants affecting this site showed a selective effect for CO2 reduction, with no impact on formate oxidation. These findings provide experimental evidence of a CO2-specific pathway and identify structural determinants underpinning efficient CO2 reduction in this enzyme family.
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Keywords: CO2 reduction; gas soaking; metal-dependent formate dehydrogenases; substrate tunnel; X-ray crystallography

Synthesis and biophysical characterization of bioengineered cytochrome nanowires - Pacheco, M. Raquel; Carvalho, Ana J.; Silva, , Marta A.; Calmeiro, Tomás; Jones, Nykola C.; Hoffmann, Søren V.; Leonor Morgado; Pereira, M Manuela A; Elvira Fortunato; Salgueiro, , Carlos A.; Tavares, Pedro; Pereira, Alice S. (2026)
Geobacter bacteria produce multiheme c-type cytochrome nanowires that are involved in long-range extracellular electron transfer. The ability of these protein nanowires to conduct electrical current makes them promising candidates for electronic devices, offering several functional and sustainable advantages over traditional materials. Therefore, this study focused on synthesizing hybrid protein fibers that mimic the natural Geobacter extracellular nanowires. To achieve this, a mutated PpcA triheme protein variant was used as the building block, with thiol-ene coupling employed to bind the protein molecules. This engineered PpcA variant (PpcAK9CK22C) maintained a structure similar to that of the native protein. Thermal denaturation studies revealed a two-state process, with a melting temperature of 62 ± 1 °C and an enthalpy change of 61 ± 2 kcal/mol. The new protein nanowires showed a lower heme group content than the precursor protein and displayed distinct secondary structure features, with a slight reduction in helical content and an increase in β-sheet and unordered structures. Their thermal stability also differed, as it could not be described by the same model applied to the PpcA variant. Despite these differences, the nanowires retained their ability to undergo redox cycling. Morphologically, they consisted of linear single-protein filaments extending over 300 nm in length.
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Biomimetic Cellulose-Based Films for Humidity-Driven Soft Actuation and for Water Harvesting - José F. Malta; Francisco Sousa; Solomiia Kutova; Almeida, Pedro L; Ana P.C. Almeida (Materials Advances - RSC, 2026)

Assessment of Early Fracture Risk Using Thermochromic Cholesteric Liquid Crystal Systems - Francisco Sousa; Annalisa Bracco; José F. Malta; Canejo, João P; Ana Paula Duarte; Ana P.C. Almeida; Almeida, Pedro L (IEEE Sensors Journal, 2026)

Mechanochromic cholesteric liquid crystal devices for mechanical strain detection - Francisco Sousa; João Santos; José F. Malta; Canejo, João P; Ana P.C. Almeida; Almeida, Pedro L (Scientific Reports, 2026)

Real-Time Monitoring of Microbial Contamination and Stress Biomarkers with Liquid Crystal-Based Immunosensors for Food Safety Assessment - Maria Simone Soares; Andreia C. M. Rodrigues; Sílvia F. S. Pires; Amadeu M. V. M. Soares; Ana P. L. Costa; Jan Nedoma; Almeida, Pedro L; Nuno Santos; Carlos Marques (Biosensors, 2026)

Structural Insights Into CO2 Transport Pathways in a W-Formate Dehydrogenase: Structural Basis for CO2 Reduction - Vilela-Alves, Guilherme; Manuel, Rita Rebelo; Martins, Guilherme; Philippe Carpentier; Raczynska, Agata; Szaleniec, Maciej; Pereira, Inês A. Cardoso; Romão, Maria João; Mota, Cristiano (Angewandte Chemie, 2026)

Bridging inner membrane and periplasm in Geobacter sulfurreducens: Structural and biochemical insights into CbcA and its redox partners - Antunes, Jorge M. A.; Silva, , Marta A.; Correia, Márcia A. S.; Salgueiro, , Carlos A.; Santos-Silva, Teresa; Leonor Morgado (International Journal of Biological Macromolecules, 2026)
Biotechnological applications such as bioremediation, bioenergy production, and microbial electrosynthesis are emerging as sustainable alternatives to conventional, environmentally harmful industrial practices. Advancing these technologies requires a deeper understanding of extracellular electron transfer, a process mediated by a network of redox partners bridging the inner membrane and the extracellular environment. The CbcBA complex, a quinol:cytochrome c oxidoreductase from Geobacter sulfurreducens, is essential for the reduction of extracellular metal oxides and electrodes with redox potential values below −210 mV. The complex comprises CbcA, a heptaheme c-type cytochrome anchored to the inner membrane and CbcB, an integral membrane di-heme b-type cytochrome. Additionally, CbcC, a periplasmic dodecaheme cytochrome, and the five periplasmic triheme cytochromes PpcA-E, are proposed to function as redox partners of CbcBA. To investigate their structural and functional properties, the periplasmic domain of CbcA (CbcAsol) and CbcC were heterologously expressed and analyzed using complementary spectroscopic techniques. The crystal structure of CbcAsol was solved at 1.9 Å resolution, revealing a calcium-binding EF-hand motif that may function as a regulatory switch. Circular dichroism and differential scanning calorimetry indicated that CbcAsol and CbcC exhibit high stability, while potentiometric redox titrations demonstrated distinct electrochemical behaviors: CbcAsol has the most negative reduction potential among G. sulfurreducens oxidoreductases, whereas CbcC operates within the redox range of the PpcA-E cytochromes. NMR experiments showed that CbcAsol transfers electrons to CbcC and PpcA-E cytochromes. This result, in agreement with the electrostatic complementarity between the different cytochromes structures, suggests that CbcA may interact with multiple periplasmic cytochromes through distinct surface regions.
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Keywords: extracellular electron transfer; Inner membrane cytochromes; Redox interactions

Characterization of CbcS from Geobacter sulfurreducens' Cbc4 complex: a putative novel respiratory pathway - Mafalda V. Fernandes; Antunes, Jorge M. A.; Salgueiro, , Carlos A.; Leonor Morgado (Journal of Inorganic Biochemistry, 2026)
Electroactive bacteria mediate electron exchange with external compounds through a process known as extracellular electron transfer (EET). A key step in EET is the transfer of electrons from the menaquinone pool to inner membrane-associated quinol-cytochrome c oxidoreductase complexes, which subsequently relay electrons to periplasmic redox partners. Gene-knockout and proteomic analyses have identified several critical components involved in EET in Geobacter sulfurreducens, including six inner membrane oxidoreductase gene clusters. Of these, three - CbcL, ImcH, and CbcBA - have been linked to specific respiratory pathways depending on the redox potential of the terminal electron acceptor. Cbc4 is one of the other inner membrane oxidoreductase complexes and is composed by three subunits: a membrane-anchored tetraheme c-type cytochrome (CbcS), an iron–sulfur protein containing four [4Fe-4S] clusters (CbcT), and an integral membrane protein (CbcU). In this study, the sequence and AlphaFold model of CbcS were analyzed and its cytochrome domain was produced, and structurally and functionally characterized using Nuclear Magnetic Resonance spectroscopy. CbcS has four bis-histidine low-spin hemes and the structure of its hemecore is homologous to CymA and NrfH from Shewanella and Desulfovibrio species, respectively, despite differences on its axial ligands. Potentiometric titrations showed that the redox active window of CbcS overlaps with those of the triheme periplasmic cytochrome family (PpcA-E), its putative redox partners. Nevertheless, NMR-monitored electron transfer experiments revealed that CbcS transfers electrons to PpcA through the heme group closer to the C-terminal (heme IV). Together, these findings provide insights on a putative new respiratory pathway in G. sulfurreducens.
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Keywords: Electron transfer; Multiheme cytochromes; quinol-cytochrome oxidoreductases; redox partners

Selective lithium recovery using bacterial cellulose acetate membranes: toward green recycling of spent Li-ion batteries - Arooj Fatima; Hafiz M. Saif; Francisco X. Nascimento; Sylwin Pawlowski; João G. Crespo (Journal of Membrane Science, 2026)
The global transition to electric vehicles and renewable energy systems has heightened the demand for lithium-ion batteries (LIBs), creating an urgent need for sustainable battery recycling methods to recover critical raw materials, including lithium. Lithium-selective cation-exchange polymeric membranes are one of the emerging options to achieve such lithium recycling. To make this change even greener, instead of using traditional fossil-origin polymers to produce membranes, this research employed bacterial cellulose acetate (BCA), a bio-derived and eco-friendly polymer. By adding 5 wt% N-methyl-N-propylpiperidinium bis(trifluoromethanesulfonyl)imide (PP13–TFSI), an ionic liquid (IL) which is a plasticizer and lithium-ion conductor, and 20 wt% hydrogen manganese oxide (HMO), which is a lithium-selective inorganic filler, four BCA-based membranes (BCA, BCA-IL, BCA-HMO and BCA-IL-HMO) were prepared. The membranes were extensively characterized for their morphology, thermal stability, chemical, and mechanical properties. Subsequently, they were tested in diffusion cells (without applying any external driving force) for ionic conductivity, lithium selectivity, and lithium flux using binary salt mixtures and synthetic LIB leachate. The BCA-IL membrane outperformed other BCA-based membranes in terms of separation factors, achieving values of 10.50 (Li+/Mn2+), 11.75 (Li+/Ni2+), and 10.95 (Li+/Co2+) with a lithium flux of 0.12 mol m−2 h−1 when processing synthetic LIB leachate. Under the same conditions, the BCA-HMO membranes exhibited a higher lithium flux (0.51 mol m−2 h−1) but with lower separation factor values of 3.39 (Li+/Mn2+), 3.62 (Li+/Ni2+), and 3.36 (Li+/Co2+). The use of plant-derived cellulose acetate (CA) as an alternative to BCA was also assessed; however, despite promising ideal lithium selectivity values (for example, 112 for Li+/Ni2+ in the case of CA-HMO membrane), their conductivity was up to two orders of magnitude lower than that of BCA-based membranes. All these findings highlight the promising potential of BCA-based membranes for lithium recovery from lithium-ion battery leachates.
50th Anniversary Celebration of the Journal Membrane Science
Keywords: Bacterial cellulose acetate; Battery recycling; Ion-selective membranes; ionic liquids; Li-ion battery leachate; Lithium recovery

Single solvent synthesis of lithium-selective hydrogen manganese oxide (HMO)-based mixed matrix membranes - Hafiz M. Saif; Amanuel G. Gebretatios; Rosa M. Huertas; Crespo, Joao G.; Sylwin Pawlowski (Green Chemical Engineering, 2026)
The rising lithium-ion battery market drives lithium demand and requires efficient and selective lithium recovery methods from aqueous sources. Membrane technologies can address environmental and inherent efficiency issues in conventional lithium extraction methods. This study presents the synthesis of novel lithium-selective mixed matrix membranes (MMMs) by integrating 0–30 wt% of a lithium selective filler named hydrogen manganese oxide (HMO) into a sulfonated polyethersulfone (SPES)-Nafion polymer matrix. The membranes were produced by casting and thoroughly examined to assess their chemical, physical, morphological, thermal, and mechanical characteristics. The transport of lithium across membranes was evaluated in diffusion and electro-diffusion studies. The membrane containing 20 wt% of HMO exhibited the highest ideal selectivity values, which were 1.05 for Li+/K+, 1.20 for Li+/Na+, and 13.36 for Li+/Mg2+; and more than 97% increase in lithium-ion conductivity when compared with the control membrane without HMO. In diffusion experiments, the binary separation factors for Li+/K+, Li+/Na+, and Li+/Mg2+ were 0.71, 1.52, and 11.83, respectively, while under electro-diffusion conditions, the corresponding values were 0.82, 1.55, and 9.88. Above 20 wt% of HMO, membranes lose their separation capacity as HMO aggregates inside the membrane structure. The higher selectivity of membranes towards Li+ in the presence of Mg2+ is due to magnesium's larger hydrated radius and higher hydration energy compared to lithium. Overall, the prepared membranes demonstrated a promising potential for green lithium recovery. This study facilitates the advancement of sustainable lithium-selective MMM synthesis.
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Keywords: Hydrogen manganese oxide; Lithium recovery; Lithium-ion sieve; nafion; Sulfonated polyethersulfone

{One Dimensional Metal Oxide Semiconductor Nanotransistors} - Cortinhal, Mariana D.; Rovisco, Ana I. B.; Barquinha, Pedro M. C. (Advanced Materials Technologies, 2025)
The goal of miniaturization in microelectronics catalyzes the evolution of field‐effect transistors (FETs), transitioning from classical scaling approaches to innovative architectures like gate‐all‐around FETs. Among these advancements, nanowire field‐effect transistors (NW‐FETs) emerge as a promising solution to the limitations of traditional FET designs, offering improved electrostatic control, reduction of short‐channel effects, and better overall device performance metrics. Metal oxide nanowires (NWs) provide high mobility, excellent optical transparency, mechanical flexibility, and compatibility with thin‐film technology, making them ideal candidates to be the pillar of a new wave of transparent and flexible electronics with unprecedented integration levels. This review highlights the different configurations of NW‐FETs, exploring their fabrication techniques and different advantages, as well as state‐of‐the‐art progress in metal oxide NW‐FETs, such as zinc oxide (ZnO), indium oxide (In 2 O 3 ), tin oxide (SnO 2 ), and multicomponent materials. To further improve NW‐FET performance, recent developments in doping, surface passivation methods, and post‐fabrication treatments are examined, as well as emerging fabrication methodologies. By addressing material limitations and integrating innovative design strategies, metal oxide NW‐FETs are set to play a pivotal role in sustaining Moore's Law and shaping the future of nanoelectronics.
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Keywords: metal oxide semiconductors; nanowire transistors; Nanowires

{Effect of the seed layer crystalline structure in the growth of zinc-tin oxide (ZTO) nanostructures} - Rovisco, Ana; Martins, Jorge; António, Margarida; Viegas, Jaime; Nunes, Daniela; Elvira Fortunato; Rodrigo Martins; Rita Branquinho; Barquinha, Pedro (Discover Nano, 2025)
Metal oxide nanostructures have recently gained high attention due to advances in their synthesis, particularly hydrothermal techniques, which allow precise control over their morphology, composition, and crystallinity, as well as integration into devices. Zinc-tin oxide (ZTO) nanostructures, in particular, are notable for their sustainability and multifunctional applications, including catalysis, electronics, sensors, and energy harvesting. Their ternary oxide nature supports a broad range of functionalities. The use of seed layers during synthesis has proven to be beneficial, particularly for binary systems such as ZnO, as it not only impacts the growth of nanostructures but is also advantageous for applications requiring nanostructures supported on substrates, such as in photocatalysis and sensor technologies. This work investigates the effect of various seed layers (e.g., Cu, stainless steel, Cr, Ni) on the hydrothermal synthesis of ZTO nanostructures. Compared to seed layer free methods under similar conditions, the presence of seed layers significantly influenced the resulting structures. The study produced diverse morphologies, including ZnSnO₃ nanowires and Zn₂SnO₄ nanoparticles, octahedrons, and nanowires. Findings suggest a relationship between the seed layer's phase and the resulting nanostructure phase. Furthermore, shorter synthesis durations favored discrete nanostructures, while longer durations facilitated the formation of thin films with nanostructured surfaces. These observations underscore the dual role of seed layers in influencing both the structural phase and growth kinetics of ZTO nanostructures.
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Keywords: Direct growth; Hydrothermal synthesis; Nanostructures; Seed layer; Zinc-tin oxide

Mammalian Aldehyde Oxidase - Romao, Maria Joao; Vilela-Alves, Guilherme; Mota, Cristiano (Iron‐Sulfur Clusters, 2025)
Summary Mammalian aldehyde oxidases (AOXs) are complex enzymes dependent on a molybdopterin-active site (Moco), two [2Fe?2S] spectroscopically distinct centers, and one flavin adenine dinucleotide (FAD) cofactor. AOXs belong to the xanthine oxidase (XO) family of mononuclear molybdenum enzymes. AOXs and XO share a high degree of structural similarity forming homodimers that encompass in each subunit a chain of redox centers involved in the transfer of reducing equivalents from substrate oxidation (Moco ? [2Fe?2S] I ? [2Fe?2S] II? FAD) to molecular oxygen. However, AOXs and XO differ in substrate specificity and, while XO has a clear role in the last steps of purine catabolism, AOXs are very promiscuous enzymes. They catalyze a wide diversity of reactions, accept diverse substrates, and play an important role in drug and xenobiotic metabolism. Despite numerous studies, the physiological substrates of AOX and its physiological relevance are still unclear.
Wiley Online Books
Keywords: Aldehyde Oxidase; drug and xenobiotic metabolism; Electron transfer; FAD-containing enzymes; molybdopterin enzymes; [2Fe–2S] clusters

The Role of Selenocysteine in Catalysis and Oxygen Tolerance of a W-Dependent Formate Dehydrogenase - Ana Rita Oliveira; Vilela-Alves, Guilherme; Mota, Cristiano; Léger, Christophe; Fourmond, Vincent; Biaso, Frédéric; Guigliarelli, Bruno; Romão, Maria João; Pereira, Inês A. Cardoso (ACS CatalysisACS Catalysis, 2025)
Metal-dependent formate dehydrogenases (FDHs) catalyze, under mild conditions, the reversible reduction of CO2 to formate, a versatile C1 feedstock that can contribute to a carbon-neutral economy. Metal-dependent FDHs are the most widespread selenoproteins found in bacteria, and around 44% of them include selenocysteine (Sec) as a ligand to the Mo/W active site. In the sulfate-reducer Nitratidesulfovibrio vulgaris Hildenborough, the main FDH responsible for CO2 reduction is the W/Sec-dependent FdhAB, which is among the most active CO2 reductases reported so far. In contrast to most metal-dependent FDHs, this enzyme is relatively O2-tolerant and can be purified aerobically. In this work, we evaluated the role of Sec in the catalytic and stability properties of the W/Sec-FdhAB. For that, a Sec-to-Cys variant (U192C) was created, its catalytic and spectroscopic properties were characterized, and its crystal structure was determined. Sec substitution by Cys strongly affects activity, decreases the KM for formate, and increases susceptibility to O2. While Sec-to-Cys replacement induces only weak changes of the WV EPR signals, using 77Se-labeled enzyme, we could show that Sec undoubtedly coordinates the W metal in the WV redox state. The crystal structure of U192C confirmed previous findings on the redox switch mechanism of activation and protection of FdhAB, while revealing a putative catalytic intermediate of FdhAB with Arg441 orienting a CO2 substrate analog (probably SO2) in the active site. Overall, the results indicate that Sec plays a critical role in the high activity displayed by W/Sec-FdhAB, and that it may also be involved in or modulate the proton transfer to and from the active site.Metal-dependent formate dehydrogenases (FDHs) catalyze, under mild conditions, the reversible reduction of CO2 to formate, a versatile C1 feedstock that can contribute to a carbon-neutral economy. Metal-dependent FDHs are the most widespread selenoproteins found in bacteria, and around 44% of them include selenocysteine (Sec) as a ligand to the Mo/W active site. In the sulfate-reducer Nitratidesulfovibrio vulgaris Hildenborough, the main FDH responsible for CO2 reduction is the W/Sec-dependent FdhAB, which is among the most active CO2 reductases reported so far. In contrast to most metal-dependent FDHs, this enzyme is relatively O2-tolerant and can be purified aerobically. In this work, we evaluated the role of Sec in the catalytic and stability properties of the W/Sec-FdhAB. For that, a Sec-to-Cys variant (U192C) was created, its catalytic and spectroscopic properties were characterized, and its crystal structure was determined. Sec substitution by Cys strongly affects activity, decreases the KM for formate, and increases susceptibility to O2. While Sec-to-Cys replacement induces only weak changes of the WV EPR signals, using 77Se-labeled enzyme, we could show that Sec undoubtedly coordinates the W metal in the WV redox state. The crystal structure of U192C confirmed previous findings on the redox switch mechanism of activation and protection of FdhAB, while revealing a putative catalytic intermediate of FdhAB with Arg441 orienting a CO2 substrate analog (probably SO2) in the active site. Overall, the results indicate that Sec plays a critical role in the high activity displayed by W/Sec-FdhAB, and that it may also be involved in or modulate the proton transfer to and from the active site.
doi: 10.1021/acscatal.5c02382

Tripartite binding mode of cohesin-dockerin complexes from Ruminococcus flavefaciens involving naturally truncated dockerins - Duarte, Marlene; Ana Luísa Carvalho; Ferreira, Magda C.; Caires, Beatriz; Romão, Maria João; Prates, José A. M.; Najmudin, Shabir; Bayer, Edward A.; Fontes, Carlos MGA.; Bule, Pedro (2025)
Polysaccharides in plant cell walls serve as a rich carbon and energy source, yet their structural complexity presents a barrier to efficient degradation. To address this, anaerobic microorganisms like R. flavefaciens have developed sophisticated multi-enzyme complexes known as cellulosomes, which enable the efficient breakdown of these recalcitrant polysaccharides. These complexes are assembled through high-affinity interactions between cohesin (Coh) modules in scaffoldin proteins and dockerin (Doc) modules in cellulosomal enzymes. R. flavefaciens FD-1 harbors one of the most intricate cellulosomes described to date, comprising over 200 Doc-containing proteins encoded in its genome. Despite substantial research on this cellulosome, the role of a group of truncated but functional dockerins, known as group-2 Docs, remains unclear. In this study, we present a detailed structural and binding analysis of a Coh-Doc complex involving the cohesin from the cell-anchoring scaffoldin ScaE and a group-2 Doc that bears only one of the two Ca+2-coordinating loops that characterise the canonical Docs. Our findings reveal a novel tripartite binding mechanism, in which the cohesin can simultaneously bind two distinct dockerin units in three alternative conformations. This discovery provides new insights into the modular versatility of the R. flavefaciens cellulosome and sheds light on the mechanisms that enhance its efficiency in polysaccharide degradation.
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Keywords: Carbohydrates; cellulosome; cohesin; dockerin; protein assembly; protein complex; Protein structure

Adsorption-assisted membrane filtration with a cellulose derivative for separation of cationic compounds - Gago, Diana; Viegas, Ândria; Chagas, Ricardo; Luísa M. Ferreira; Coelhoso, Isabel (Separation and Purification Technology, 2025)

Calculation of the Absorption Spectra of Various Anthocyanin Species in an Acidic Medium Using Stopped-Flow Spectroscopy - Hanieh Mahmoodi; Nuno Basílio; Branco, Paula S.; João Carlos Lima; Pina, Fernando (J. Org. Chem., 2025)

The Clear Choice: Developing Transparent Cork for Next-Generation Sustainable Materials - Pedro Gil; Almeida, Pedro L; Godinho, Maria H; Ana P.C. Almeida (Macromol, 2025)

Cryo-EM structure of native honey bee vitellogenin (Nature Communications, 2025)

Electrochemical studies of Benzoquinone, Hydrobenzoquinone, Diphenoquinone, and Hydrodiphenoquinone-Based Compounds - Leitão, F.; Galrito, D.; Branco, L. C.; Cruz, H.; Branco, P. S. (Electrochem. Sci. Adv, 2025)

Nature Inspired Cellulose-based Networks for Moisture Sensors - Mariana Silva; João Santos; Francisco Sousa; José Malta; Almeida, Pedro L; Godinho, Maria H; Ana P.C. Almeida (Photonics West, 2025)

New insights in uranium bioremediation by cytochromes of the bacterium G. uraniireducens - Almeida, Alexandre; Turner, David L.; Silva, , Marta A.; Salgueiro, , Carlos A. (Journal of Biological Chemistry, 2025)
The bacterium Geotalea uraniireducens, commonly found in uranium-contaminated environments, plays a key role in bioremediation strategies by converting the soluble hexavalent form of uranium (UVI) into less soluble forms (e.g. UIV.). While most of the reduction and concomitant precipitation of uranium occur outside the cells, there have been reports of important reduction processes taking place in the periplasm. In any case, the triheme periplasmic cytochromes are crucial players, either by ensuring an effective interface between the cell´s interior and exterior or by directly participating in the reduction of the metal. Therefore, understanding the functional mechanism of the highly abundant G. uraniireducens’ triheme cytochromes is crucial to assist the elucidation on the respiratory pathways in this bacterium. In this work, a detailed functional characterization of the triheme cytochromes PpcA and PpcB from G. uraniireducens was conducted using NMR and visible spectroscopy techniques. Despite sharing high amino acid sequence and structural homology with their counterparts from G. sulfurreducens, the results obtained showed that the heme reduction potential values are less negative, the order of oxidation of the hemes is distinct, and the redox and redox-Bohr network of interactions revealed unprecedented functional mechanisms of the G. uraniireducens cytochromes. In these cytochromes, the reduction potential values of the three heme groups are much more similar, hence covering a narrow range of values, features that facilitate the directional electron flow from the inner membrane, thereby favouring the optimal reduction of uranium.
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Keywords: Electrogenic bacteria; Electron transfer; Multiheme -type cytochromes; Nuclear Magnetic Resonance (NMR); Redox characterization

The Role of Selenocysteine in Catalysis and Oxygen Tolerance of a W-Dependent Formate Dehydrogenase - Ana Rita Oliveira; Vilela-Alves, Guilherme; Mota, Cristiano; Léger, Christophe; Fourmound, Vincent; Biaso, Frédéric; Guigliarelli, Bruno; Romão, Maria João; Pereira, Inês A. Cardoso (ACS Catalysis, 2025)

The Synthesis of Terpenes Via Enantioselective Organocatalysis - Phillips, Ana F.; Luísa M. Ferreira; Branco, Paula S.; Lourenço, Ana (Asian J. Org. Chem., 2025)

When Cellulose Moves: Smart Sensors and Actuators - Francisco Sousa; José F. Malta; Ana P.C. Almeida (Advanced Materials Technologies, 2025)

Activated carbons for flow electrode capacitive deionization (FCDI) – Morphological, electrochemical and rheological analysis - H.M. Saif; B. Ferrández-Gómez; Alves, V. D.; R.M. Huertas; G. Alemany-Molina; A. Viegas; E. Morallón; D. Cazorla-Amorós; Crespo, J. G.; S. Pawlowski (Desalination, 2025)
Flow electrode capacitive deionization (FCDI) is a desalination technology employing flowable carbon slurries to remove salt from an influent through the electro-sorption of ions at the surface of pores of activated carbon particles. This study presents an extensive morphological, electrochemical and rheological analysis of flow electrodes prepared using commercial (YP50F, YP80F, Norit, PAC) and lab-synthesized (KUA, PAC-OX) activated carbons. Simultaneous optimization of particle size, surface area, and surface chemistry of activated carbons is essential to enhance desalination efficiency in FCDI applications. The lab-made highly microporous activated carbon (KUA), prepared from a Spanish anthracite, exhibited a remarkably high specific surface area ( 2800 m2/g) but required first a particle size reduction through ball milling (from 56 μm to 12 μm) for the respective flow electrodes to achieve flowability. The slurry of milled fine KUA (designated as KUAF) shows a specific capacitance of 55 F/g, a 38-fold increase compared to its pristine form. The KUA-F flow electrode also achieved a maximum salt adsorption capacity of 185 mg/g, outperforming the leading commercial alternative (YP80F) by 26 %. The FCDI cell with the KUA-F flow electrode exhibited a desalination efficiency of 79 % at 15 wt% loading, surpassing YP80F by 29 %. In contrast, using PAC-OX (oxidized form of PAC), despite increasing oxygen functional groups and with relatively higher specific surface area, led only to a 2 % improvement in desalination performance, highlighting that oxidation alone at larger particle sizes and broader distribution is insufficient.
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Keywords: activated carbons; Desalination; Flow electrode capacitive deionization (FCDI); Particle size reduction; Salt adsorption capacity; Surface chemistry

Can 3D-printed flow electrode gaskets replace CNC-milled graphite current collectors in flow capacitive deionization? - H.M. Saif; Crespo, J. G.; S. Pawlowski (Desalination, 2025)
As billions of people suffer from water scarcity, finding sustainable water resources is imperative. Flow capacitive deionization (FCDI) is a highly promising desalination process that can produce clean water from saline streams such as brackish and seawater. Conventional FCDI systems employ Computerised Numerical Control (CNC)-milled graphite plates that serve as current collectors and flow electrode channels. However, they have drawbacks such as high manufacturing costs, waste generation, and the difficulty of producing complex geometries required for efficient flow electrode mixing. Here, we successfully demonstrate that 3D-printed flow electrode gaskets, made of non-conductive polyethylene terephthalate glycol (PET-G) or a carbon black-infused conductive polylactic acid (PLA), are viable alternatives to traditional graphite plates. In specific cases, the desalination and energy efficiency in FCDI cells with 3D-printed conductive gaskets were even 25 % and 10 % higher, respectively, compared to traditional CNC-milled current collectors. The transition to 3D printing offers notable benefits, such as the competence to fabricate complex designs that enhance internal mixing and charge percolation. This innovation represents a change of paradigm in the way FCDI cells should be designed and manufactured, using additive manufacturing, which represents an efficient, scalable, and cost-effective substitute for the conventional approach, contributing therefore for the advancement of FCDI desalination technology.
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Keywords: 3D printing; CNC milling; Current collectors; Desalination; Flow capacitive deionization (FCDI)

Deep eutectic solvent flow electrodes for high-voltage desalination via flow electrode capacitive deionisation - Elena Gabirondo; Hafiz M. Saif; Alves, Vitor D.; João G. Crespo; Liliana C. Tomé; Sylwin Pawlowski (Desalination, 2025)
This study pioneers the application of deep eutectic solvents (DES) as electrolytes in flow electrode capacitive deionisation (FCDI) desalination systems, providing a novel and improved alternative to aqueous flow electrodes. The deep eutectic solvent, choline chloride-urea (ChCl-U), was selected for its wide electrochemical stability window, allowing voltages exceeding 1.23 V, which is the limit for aqueous flow electrodes. The effect of water doping on the viscosity and performance of the DES flow electrodes was also investigated. Cyclic voltammetry confirmed the electrochemical stability, while rheological and electrochemical impedance spectroscopy revealed that the addition of water reduced the viscosity and enhanced the conductivity of ChCl-U, making it suitable for use as an electrolyte in FCDI. Desalination experiments were performed within a potential range of up to 2.2 V. The ChCl-U flow electrode, containing 20 wt% water and 10 wt% activated carbon, achieved the best balance between desalination efficiency (83 %), desalination rate (0.17 mg/cm2.min), and effluent quality. Furthermore, 1H NMR analysis confirmed the absence of traces of the deep eutectic solvent in the dilute stream. The results highlight the potential of DES flow electrodes to enhance desalination processes by enabling higher operational voltages and improved performance, thereby paving the way for more efficient FCDI desalination systems.
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Keywords: Deep eutectic solvents; Desalination; Flow electrode capacitive deionisation; Flow electrodes

Development of cation-exchange membranes using solvent-free 3D printing: Towards tailored surface topographies - Mekhna Venu; Claudia F. Galinha; João G. Crespo; Sylwin Pawlowski (Separation and Purification Technology, 2025)
Electromembrane processes are employed in critical applications such as desalination, lithium recovery, and salinity gradient energy conversion. However, issues like fouling and concentration polarisation may limit their effectiveness. Profiled ion-exchange membranes offer several advantages over flat membranes, including improved fluid mixing, enhanced mass transfer, lower pressure drop (thus, lower energy consumption), and elimination of the spacer’s shadow effect. Nonetheless, their preparation is considerably more complex than that of flat membranes. In this study, we pioneered the use of solvent-free fused deposition modelling (FDM) 3D printing to fabricate flat and profiled (chevron and stripe) cation-exchange membranes (CEMs). The functionalisation of the 3D-printed membranes into CEMs was achieved via sulfonation. The optimised electrical resistance and permselectivity of the prepared membranes were 10.7 ± 4 Ωcm2 and 97.3 ± 4 %, respectively, after 14 h of sulfonation, closely matching commercial alternatives (e.g., FUMASEP FKB-PK-130, 9.7 ± 3 Ωcm2 and 96.7 ± 1 %). Sulfonation durations exceeding 14 h increased the membranes’ electrical resistance due to the formation of sulfone cross-bridges that do not participate in cations’ exchange. Since FDM 3D printing is a solvent-free and additive manufacturing method, it significantly reduces waste during membrane fabrication, resulting in an E-factor value of 1.5. Therefore, this work opens a path toward customisable, scalable, and greener CEM production for electrochemical applications ranging from the recovery of critical raw materials and water desalination to renewable energy conversion.
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Keywords: Additive manufacturing; Electrical resistance; Ion exchange membranes; Permselectivity; Profiled membranes; Sulfonation

How should flow electrode capacitive deionization (FCDI) be operated to achieve efficient desalination and scalability? - H.M. Saif; Crespo, J. G.; S. Pawlowski (Desalination, 2025)
Flow electrode capacitive deionization (FCDI) is an emerging desalination technology that utilises flowable electrodes and can be operated in diverse configuration modes. This study provides a systematic assessment of the three main configuration arrangements under a voltage range between 0.8 and 2.0 V: isolated closed-cycle (ICC), short-circuited closed-cycle (SCC), and single-cycle with separate concentrate chamber (SCSC). The ICC mode shows the highest specific energy consumption (up to 72.02 Wh/mol of NaCl at 2.0 V) and low operational stability manifested by extreme alteration of pH in the electrode compartments (anode compartment pH down to 2.17; cathode compartment pH up to 12.08), which leads to the need for frequent electrode regeneration or replacement. In comparison to the ICC mode, the SCC mode exhibited superior performance, with a 44.3 % increase in salt removal and up to 3.95 % higher current efficiency at 2.0 V, due to the regeneration of electrodes through short-circuiting, as it reduces the electrical resistance and minimises the side reactions. The SCSC mode emerged as the most stable and reliable among the three, with uniform current and conductivity profiles, as well as minimal pH fluctuations, which is critical to produce treated water within desired quality standards. These findings highlight the promising potential of SCSC mode as an optimal configuration for scalable, continuous and energy-efficient FCDI systems, providing a balanced solution for long-term desalination with reduced operational complexity and costs.
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Keywords: Desalination; Energy consumption; Flow electrode capacitive deionization; Isolated closed-cycle (ICC) mode; Short-circuited closed-cycle (SCC) mode; Single-cycle with separate concentrate chamber (SCSC) mode; Water treatment

Modelling selective lithium recovery from brines via membrane flow electrode capacitive de-ionization - Giorgio Purpura; Hafiz Muhamad Saif; Andrea Culcasi; Sylwin Pawlowski; Joao Goulão Crespo; Andrea Cipollina (Separation and Purification Technology, 2025)
The recent growing demand for lithium worldwide, led by the Li-ion battery market, has sparked research into alternative sources of this material. In this context, selective lithium recovery from concentrated brines represents a sustainable and economical alternative to lithium mining activities. In this work, we developed a mathematical model of the recently implemented Lithium Membrane Flow Electrode Capacitive De-Ionization (Li-MFCDI) process, used to selectively extract lithium from a synthetic geothermal brine. The model was validated against the available experimental data and was used to perform a comprehensive parametric analysis. The model predicts the effects of the applied voltage, flow rates, and the adopted membranes on the process performance. These findings highlight the importance of the membrane conductivity-selectivity trade-off for process productivity. Furthermore, this simulation tool will substantially contribute to the development of this novel technology.
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Keywords: Critical raw material; FCDI; Ion exchange membranes; Lithium selective membranes; Process model

Single solvent synthesis of lithium-selective hydrogen manganese oxide (HMO)-based mixed matrix membranes - Hafiz M. Saif; Amanuel G. Gebretatios; Rosa M. Huertas; Crespo, Joao G.; Sylwin Pawlowski (Green Chemical Engineering, 2025)
The rising lithium-ion battery market drives lithium demand and requires efficient and selective lithium recovery methods from aqueous sources. Membrane technologies can address environmental and inherent efficiency issues in conventional lithium extraction methods. This study presents the synthesis of novel lithium-selective mixed matrix membranes (MMMs) by integrating 0–30 wt% of a lithium selective filler named hydrogen manganese oxide (HMO) into a sulfonated polyethersulfone (SPES)-Nafion polymer matrix. The membranes were produced by casting and thoroughly examined to assess their chemical, physical, morphological, thermal, and mechanical characteristics. The transport of lithium across membranes was evaluated in diffusion and electro-diffusion studies. The membrane containing 20 wt% of HMO exhibited the highest ideal selectivity values, which were 1.05 for Li+/K+, 1.20 for Li+/Na+, and 13.36 for Li+/Mg2+; and more than 97% increase in lithium-ion conductivity when compared with the control membrane without HMO. In diffusion experiments, the binary separation factors for Li+/K+, Li+/Na+, and Li+/Mg2+ were 0.71, 1.52, and 11.83, respectively, while under electro-diffusion conditions, the corresponding values were 0.82, 1.55, and 9.88. Above 20 wt% of HMO, membranes lose their separation capacity as HMO aggregates inside the membrane structure. The higher selectivity of membranes towards Li+ in the presence of Mg2+ is due to magnesium's larger hydrated radius and higher hydration energy compared to lithium. Overall, the prepared membranes demonstrated a promising potential for green lithium recovery. This study facilitates the advancement of sustainable lithium-selective MMM synthesis.
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Keywords: Hydrogen manganese oxide; Lithium recovery; Lithium-ion sieve; nafion; Sulfonated polyethersulfone

Sustainable processing of microalgae protein: Design of biphasic partitioning systems based on natural deep eutectic solvents for C-phycocyanin recovery from model aqueous solutions - Bruno A. Pereira; Cristina T. Matos; Costa, Luís; Luísa M. Ferreira; João G. Crespo; Carla Brazinha (Separation and Purification Technology, 2025)
The development of sustainable protein sources is imperative for addressing the global challenge of food/feed security. Microalgae, which may be sustainably cultivated, are a promising source of proteins, gaining a progressive acceptance among consumers. The purpose of this work is to study the recovery of the protein C-phycocyanin from the microalga Arthrospira platensis (Spirulina), using a biphasic extraction system composed of sustainable solvents. The extraction system studied involves a feed phase, consisting of an aqueous salt solution and the target protein, and an extracting phase composed of a Natural Deep Eutectic Solvent (NADES) with affinity to the target protein. The performance of a specific NADES depends on the characteristics of the components of the NADES, in terms of its hydrophobicity/hydrophilicity balance, aiming the highest possible partitioning coefficient towards C-phycocyanin. It is also important to assure that the NADES phase selected presents a moderate viscosity and leads to a stable interface when in contact with the aqueous feed phase (i.e., presenting a measurable interfacial tension). In this work, after an extensive screening work of more than 71 combinations, the most overall performing combination is presented. This system shows a high partitioning coefficient of 29.4 ± 0.3 and an extraction yield of 99 % for C-phycocyanin (C-PC), demonstrating that the salting-out effect of the phosphate buffer and the hydrophobic character of NADES play a key role in this protein partitioning and recovery.
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Keywords: C-phycocyanin (C-PC); Extraction with biphasic systems; Microalgae biorefinery; natural deep eutectic solvent (NADES); Protein partitioning

Triazole-Derived Ruthenium(II) Complexes as Novel Candidates for Cancer Therapy - Royo, Beatriz; Lenis-Rojas, Oscar A; Roma, Catarina; Carvalho, Beatriz; Andrade, Vasco; Friães, Sofia; Cabezas-Sain, Pablo; Fernández, Jhonathan Angel Araujo; Vila, Sabela Fernandez; Arana, Alvaro J; Laura Sanchez; Baptista, Pedro V; et al. (ChemPlusChem, 2025)
The first examples of Ru(II) h6-arene (benzene and p-cymene) complexes containing a bidentate triazolylidene-triazolide ligand have been prepared and fully characterized. Their antiproliferative effect has been investigated against tumour cells A2780 (ovarian carcinoma), HCT116 (colorectal carcinoma), and HCT116dox (colorectal carcinoma resistant to doxorubicin), and in human dermal fibroblasts. The Ru complex bearing the p-cymene arene group exhibited a stronger antiproliferative effect across all tested cell lines, while the benzene-containing complex displayed higher selectivity toward tumor cells. Both complexes induced apoptosis, likely through ROS production (in the benzene complex), and inhibited tumorigenic processes, including cell migration and angiogenesis. In zebrafish models, they showed strong selectivity for cancer cells with minimal toxicity to healthy cells, effectively reducing the proliferation of HCT116 colorectal cancer cells. This study provides the first in vivo evidence of the anticancer potential of Ru triazolylidenes in zebrafish models.
© 2025 Wiley‐VCH GmbH.

Synthesis of inverse push-pull coumarin dyes and their application as solvatochromic probes and labelling agents for bacterial cell membranes - Sarrato, Joa; Raimundo, Bernardo; Domingues, Luis; Filipe, Sergio R.; Lima, J. Carlos; Branco, Paula S. (DYES AND PIGMENTS, 2024)
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Bringing Hope to Improve Treatment in Pancreatic Ductal Adenocarcinoma: A New Tool for Molecular Profiling of KRAS Mutations in Tumor and Plasma Samples - Bravo, Ana Catarina; Morão, Bárbara; Luz, André; Dourado, Rúben; Beatriz Oliveira; Guedes, Ana; Moreira-Barbosa, Catarina; Fidalgo, Catarina; Luís Mascarenhas-Lemos; Costa-Santos, Maria Pia; Maio, Rui; Jorge Paulino; et al. (Cancers, 2024)
Background/Objectives: Pancreatic ductal adenocarcinoma (PDAC) incidence is rising, and prognosis remains poor due to late diagnosis and limited effective therapies. Currently, patients are treated based on TNM staging, without molecular tumor characterization. This study aimed to validate a technique that combines the amplification refractory mutation system (ARMS) with high-resolution melting analysis (HRMA) for detecting mutations in codon 12 of KRAS in tumor and plasma, and to assess its prognostic value. Methods: Prospective study including patients with newly diagnosed PDAC with tumor and plasma samples collected before treatment. Mutations in codon 12 of KRAS (G12D, G12V, G12C, and G12R) were detected using ARMS–HRMA and compared to Sanger sequencing (SS). Univariate and multivariate analyses were used to evaluate the prognostic significance of these mutations. Results: A total of 88 patients, 93% with ECOG-PS 0–1, 57% with resectable disease. ARMS–HRMA technique showed a higher sensitivity than SS, both in tumor and plasma (77% vs. 51%; 25 vs. 0%, respectively). The most frequent mutation was G12D (n = 32, 36%), followed by G12V (n = 22, 25%). On multivariate analysis, patients with G12D and/or G12C mutations, either in tumor or plasma, had lower PFS (HR 1.792, 95% CI 1.061–3.02
Funding Information: info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/Concurso para Atribuição do Estatuto e Financiamento de Laboratórios Associados (LA)/LA%2FP%2F0140%2F2020/PT# info:eu-repo/grantAgreement/FCT//2020.07660.BD/PT# info:eu-repo/grantAgreement/FCT/OE/2022.12161.BD/PT# This work (project reference LH.INV.F2019016) is partially co-financed by Luz da Hospital Lisboa under the initiative “Luz Investigação.” © 2024 by the authors. Licensee MDPI, Basel, Switzerland.
Keywords: amplification refractory mutation system; ARMS–HRMA; ctDNA; KRAS mutations; Liquid biopsy; pancreatic cancer; prognosis

Optimization of Antiproliferative Properties of Triimine Copper(II) Complexes - Choroba, Katarzyna; Bartosz Zowiślok; Kula, Sławomir; Machura, Barbara; Maroń, Anna M.; Erfurt, Karol; Marques, Cristiana; Cordeiro, Sandra; Baptista, Pedro V; Fernandes, Alexandra R (Journal Of Medicinal Chemistry, 2024)
Cu(II) complexes with 2,2':6',2″-terpyridines (terpy) and 2,6-bis(thiazol-2-yl)pyridines (dtpy) with 1- or 2-naphtyl and methoxy-naphtyl were synthesized to elucidate the impact of the triimine core, naphtyl linking mode, and presence of methoxy groups on the antiproliferative activity of [CuCl 2(L n )]. Their antiproliferative effect was analyzed in ovarian (A2780) and colorectal (HCT116) carcinomas and colorectal carcinoma resistant to doxorubicin (HCT116-DoxR) cell lines and in normal human fibroblasts. Among all complexes, the 1- and 2-naphtyl substituted terpy Cu(II) complexes ( Cu1a and Cu1b) showed the strongest cytotoxicity, namely, in HCT116-DoxR 2Dcells and were also capable of inducing the loss of cell viability in 3D HCT116-DoxR spheroids. Their intracellular localization, capability to increase reactive oxygen species (ROS), and interaction with DNA (nonintercalative mode) trigger oxidative DNA cleavage leading to cell death by apoptosis and autophagy. Cu1a and Cu1b do not show in vivo toxicity in a chicken embryo and can interact with bovine serum albumin (BSA).
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Optimization of Antiproliferative Properties of Triimine Copper(II) Complexes - Choroba, K.; B Zowislok; Kula, S.; Machura, B.; Maron, A. M.; Erfurt, K.; S Cordeiro; P.V. Baptista; Fernandes, Alexandra R (Journal Of Medicinal Chemistry, 2024)
Cu(II) complexes with 2,2′:6′,2″-terpyridines (terpy) and 2,6-bis(thiazol-2-yl)pyridines (dtpy) with 1- or 2-naphtyl and methoxy-naphtyl were synthesized to elucidate the impact of the triimine core, naphtyl linking mode, and presence of methoxy groups on the antiproliferative activity of [CuCl2(Ln)]. Their antiproliferative effect was analyzed in ovarian (A2780) and colorectal (HCT116) carcinomas and colorectal carcinoma resistant to doxorubicin (HCT116-DoxR) cell lines and in normal human fibroblasts. Among all complexes, the 1- and 2-naphtyl substituted terpy Cu(II) complexes (Cu1a and Cu1b) showed the strongest cytotoxicity, namely, in HCT116-DoxR 2Dcells and were also capable of inducing the loss of cell viability in 3D HCT116-DoxR spheroids. Their intracellular localization, capability to increase reactive oxygen species (ROS), and interaction with DNA (nonintercalative mode) trigger oxidative DNA cleavage leading to cell death by apoptosis and autophagy. Cu1a and Cu1b do not show in vivo toxicity in a chicken embryo and can interact with bovine serum albumin (BSA).
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Shrinking Cancer Research Barriers: Crafting Accessible Tumor-on-Chip Device for Gene Silencing Assays - Oliveira, B. B.; Fernandes, A. R.; P.V. Baptista (Advanced Engineering Materials, 2024)
Tumor-on-chip (ToC) is crucial to bridge the gap between traditional cell culture experiments and in vivo models, allowing to recreate an in vivo-like microenvironment in cancer research. ToC use microfluidics to provide fine-tune control over environmental factors, high-throughput screening, and reduce requirements of samples and reagents. However, creating these microfluidic devices requires skilled researchers and dedicated manufacturing equipment, making widespread adoption cumbersome and difficult. To address some bottlenecks and improve accessibility to ToC technology, innovative materials and fabrication processes are required. Polystyrene (PS) is a promising material for microfluidics due to its biocompatibility, affordability, and optical transparency. Herein, a fabrication process based on direct laser writing on thermosensitive PS, allowing the swift and economical crafting of devices with easy pattern alterations, is presented. For the first time, a device for cell culture fabricated only by PS is presented, allowing customizing and optimization for efficient cell culture approaches. These biochips support 2D and 3D cultures with comparable viability and proliferation kinetics to traditional 96-well plates. The data show that gene and protein silencing efficiencies remain consistent across both chip and plate-based cultures, either 2D culture or 3D spheroid format. Although simple, this approach might facilitate the use of customized chip-based cancer models.
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Keywords: Biochips; Gene silencing; Spheroids; Tumor-on-chips

{Structural and biochemical characterization of the M405S variant of ıt Desulfovibrio vulgaris} formate dehydrogenase} - Vilela-Alves, Guilherme; Manuel, Rita Rebelo; Pedrosa, Neide; Cardoso Pereira, Inês A.; Romão, Maria João; Mota, Cristiano (Acta Crystallographica Section F, 2024)
Molybdenum- or tungsten-dependent formate dehydrogenases have emerged as significant catalysts for the chemical reduction of CO${\sb 2}$ to formate, with biotechnological applications envisaged in climate-change mitigation. The role of Met405 in the active site of ıt Desulfovibrio vulgaris} formate dehydrogenase AB (ıt Dv}FdhAB) has remained elusive. However, its proximity to the metal site and the conformational change that it undergoes between the resting and active forms suggests a functional role. In this work, the M405S variant was engineered, which allowed the active-site geometry in the absence of methionine S${\sp {$δ$}}$ interactions with the metal site to be revealed and the role of Met405 in catalysis to be probed. This variant displayed reduced activity in both formate oxidation and CO${\sb 2}$ reduction, together with an increased sensitivity to oxygen inactivation.
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Keywords: Catalysis; CO2 reduction; Desulfovibrio vulgaris; metal-dependent formate dehydrogenases; Mo/W enzymes; X-ray crystallography

Acenaphthylene-Based Chromophores for Dye-Sensitized Solar Cells: Synthesis, Spectroscopic Properties, and Theoretical Calculations - Malta, Gabriela; Pina, Joao; Lima, J. Carlos; A. Jorge Parola; Branco, Paula S. (ACS OMEGA, 2024)
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Evaluation of miR-155 silencing using a molecular beacon in human lung adenocarcinoma cell line - Alexandre, Daniela; Fernandes, Alexandra R; Baptista, Pedro V; Cruz, Carla (Talanta, 2024)
Lung cancer (LC) is a leading cause of global cancer-related deaths, highlighting the development of innovative methods for biomarker detection improving the early diagnostics. microRNAs (miRs) alterations are known to be involved in the initiation and progression of human cancers and can act as biomarkers for diagnostics and treatment. Herein, we develop the application of molecular beacon (MB) technology to monitor miR-155-3p expression in human lung adenocarcinoma A549 cells without complementary DNA synthesis, amplification, or expensive reagents. Furthermore, we produced gold nanoparticles (AuNPs) for delivering antisense oligonucleotides into A549 cells to reduce miR-155-3p expression, which was subsequently detectable using the MB. The MB was designed and structural characterized by Förster Resonance Energy Transfer (FRET)-melting, Circular Dichroism (CD), Nuclear magnetic resonance (NMR), and fluorometric experiments, and then the hybridization conditions were optimized for an in vitro approach involving the detection of miR-155-3p in total RNA extracted from A549 cell line. The expression profile of miR-155-3p was obtained by RT-qPCR. The results demonstrated that MB was properly designed and showed efficacy in targeting miR-155-3p. Furthermore, a limit of detection down to nanomolar concentration was achieved and the specificity of the biosensor was proved. Moreover, the self-assembly of ASOs with AuNPs exhibited exceptional target specificity, effectively silencing miR-155-3p. Notably, compared to lipid-based transfection agent, AuNPs displayed superior silencing efficiency. We highlighted the ability of MB to detect changes in the target gene expression after gene silencing. Overall, this innovative approach represents a promising tool for detecting various biomarkers at the same time, with potential applications in clinical settings.
Funding Information: info:eu-repo/grantAgreement/FCT/POR_CENTRO/2021.07695.BD/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F00709%2F2020/PT# info:eu-repo/grantAgreement/FCT/9444 - RNIIIE/PINFRA%2F22161%2F2016/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F00709%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0140%2F2020/PT# POCI-01-0145-FEDER-022122 research unit PPBI-Portuguese Platform of BioImaging, co-financed by the FEDER through COMPETE 2020, POCI, PORL, and PIDDAC. project PAPILOMA ref. CENTRO-01-0145-FEDER-181235 and \u201CBolsa de Investigação em Oncologia Dr. Rocha Alves do Núcleo Regional do Centro da Liga Portuguesa Contra o Cancro\u201D; This work was supported by EATRIS, the European infrastructure for translational medicine. Publisher Copyright: © 2024 The Author(s)
Keywords: A549 cells; Gene silencing; Gold nanoparticles; mir-155-3p; molecular beacon

Membrane-localized magnetic hyperthermia promotes intracellular delivery of cell-impermeant probes - Idiago-López, Javier; Ferreira, Daniela; Laura Asín; María Moros; Armenia, Ilaria; Grazú, Valeria; Fernandes, Alexandra R; {de la Fuente}, Jesús M.; Baptista, Pedro V; Fratila, Raluca M. (Nanoscale, 2024)
In this work, we report the disruptive use of membrane-localized magnetic hyperthermia to promote the internalization of cell-impermeant probes. Under an alternating magnetic field, magnetic nanoparticles (MNPs) immobilized on the cell membrane via bioorthogonal click chemistry act as nanoheaters and lead to the thermal disruption of the plasma membrane, which can be used for internalization of different types of molecules, such as small fluorescent probes and nucleic acids. Noteworthily, no cell death, oxidative stress and alterations of the cell cycle are detected after the thermal stimulus, although cells are able to sense and respond to the thermal stimulus through the expression of different types of heat shock proteins (HSPs). Finally, we demonstrate the utility of this approach for the transfection of cells with a small interference RNA (siRNA), revealing a similar efficacy to a standard transfection method based on the use of cationic lipid-based reagents (such as Lipofectamine), but with lower cell toxicity. These results open the possibility of developing new procedures for “opening and closing” cellular membranes with minimal disturbance of cellular integrity. This on-demand modification of cell membrane permeability could allow the direct intracellular delivery of biologically relevant (bio)molecules, drugs and nanomaterials, thus overcoming traditional endocytosis pathways and avoiding endosomal entrapment.
info:eu-repo/grantAgreement/FCT/Concurso de avaliação no âmbito do Programa Plurianual de Financiamento de Unidades de I&D (2017%2F2018) - Financiamento Programático/UIDP%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/Concurso para Atribuição do Estatuto e Financiamento de Laboratórios Associados (LA)/LA%2FP%2F0140%2F2020/PT# info:eu-repo/grantAgreement/FCT//2020.06599.BD/PT# Funding Information: This work was supported by the following grants: AEI, Grant PCIN-2017-060 funded by MICIU/AEI/10.13039/501100011033 and co-funded by the European Union (M-ERA.NET COFUND call 2016), grants PGC2018-096016-B-I00 to R. M. F and BIO 2017-84246-C2-1R to V. G. and J. M. F. funded by MICIU/AEI/10.13039/501100011033 and by \u201CERDF A way of making Europe\u201D, grant RYC2015-17640 to R. M. F. and RYC2019-026860-I to M. M. funded by MICIU/AEI/10.13039/501100011033 and by \u201CESF Investing in your future\u201D, and grant CNS2023-144436 funded by MICIU/AEI/10.13039/501100011033 and by \u201CEuropean Union Next Generation EU/PRTR\u201D. This work was also financed by national funds from FCT \u2013 Funda\u00E7\u00E3o para a Ci\u00EAncia e a Tecnologia, I. P., in the scope of the project project M-ERA.NET2/0008/2016. J. I. L. acknowledges financial support for his predoctoral fellowships from Gobierno de Arag\u00F3n (DGA 2017-2021 call, co-funded by the Programa Operativo Fondo Social Europeo de Arag\u00F3n 2014\u20132020). L. A. acknowledges support from the Jos\u00E9 Castillejo program (CAS18/00233). The authors also acknowledge support from Gobierno de Arag\u00F3n and Fondos Feder for funding the Bionanosurf (E15_23R) research group. The authors would like to acknowledge the use of Servicios Cientif\u00EDcos T\u00E9cnicos del CIBA (IACS-Universidad de Zaragoza), the Advanced Microscopy Laboratory (Universidad de Zaragoza), for access to their instrumentation and expertise and for the use of Servicio General de Apoyo a la Investigaci\u00F3n-SAI, Universidad de Zaragoza, BIOLAB@UCIBIO, NOVA School of Science and Technology for flow cytometry experiments. We also thank Eduardo Moreno-Antol\u00EDn (Bionanosurf group, INMA, UNIZAR-CSIC) for insightful discussions and help with the preparation of the MNPs. Publisher Copyright: © 2024 The Royal Society of Chemistry.

Exploiting Co(III)-Cyclopentadienyl Complexes To Develop Anticancer Agents - Franco Machado, João; Cordeiro, Sandra; Duarte, Joana N.; Costa, Paulo J.; Mendes, Paulo J.; Garcia, Maria Helena; Baptista, Pedro V; Fernandes, Alexandra R; Morais, Tânia S. (Inorganic Chemistry, 2024)
In recent years, organometallic complexes have attracted much attention as anticancer therapeutics aiming at overcoming the limitations of platinum drugs that are currently marketed. Still, the development of half-sandwich organometallic cobalt complexes remains scarcely explored. Four new cobalt(III)-cyclopentadienyl complexes containing N,N-heteroaromatic bidentate, and phosphane ligands were synthesized and fully characterized by elemental analysis, spectroscopic techniques, and DFT methods. The cytotoxicity of all complexes was determined in vitro by the MTS assay in colorectal (HCT116), ovarian (A2780), and breast (MDA-MB-231 and MCF-7) human cancer cell lines and in a healthy human cell line (fibroblasts). The complexes showed high cytotoxicity in cancer cell lines, mostly due to ROS production, apoptosis, autophagy induction, and disruption of the mitochondrial membrane. Also, these complexes were shown to be nontoxic in vivo in an ex ovo chick embryo yolk sac membrane (YSM) assay.
info:eu-repo/grantAgreement/FCT/3599-PPCDT/PTDC%2FQUI-QIN%2F0146%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F00100%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0056%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0140%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F50006%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F50006%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04046%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04046%2F2020/PT# info:eu-repo/grantAgreement/FCT//SFRH%2FBD%2F135915%2F2018/PT# info:eu-repo/grantAgreement/FCT/OE/2021.08629.BD/PT# info:eu-repo/grantAgreement/FCT/CEEC IND 2017/CEECIND%2F00630%2F2017%2FCP1387%2FCT0012/PT# info:eu-repo/grantAgreement/FCT/CEEC IND5ed/2022.00028.CEECIND%2FCP1722%2FCT0005/PT# info:eu-repo/grantAgreement/FCT/CEEC IND4ed/2021.00381.CEECIND%2FCP1650%2FCT0004/PT# Publisher Copyright: © 2024 The Authors. Published by American Chemical Society.

CBMcarb-DB: interface of the three-dimensional landscape of carbohydrate-binding modules - Ribeiro, D. O.; Bonnardel, F.; Palma, A. S.; Carvalho, A. L. M.; Perez, S. (Carbohydrate Chemistry: Chemical and Biological Approaches Volume 46, 2024)
Carbohydrate-binding-modules (CBMs) are discrete auxiliary protein modules with a non-catalytic carbohydrate-binding function and that exhibit a great diversity of binding specificities. CBMcarb-DB is a curated database that classifies the three-dimensional structures of CBM–carbohydrate complexes determined by single-crystal X-ray diffraction methods and solution NMR spectroscopy. We designed the database architecture and the navigation tools to query the database with the Protein Data Bank (PDB), UniProtKB, and GlyTouCan (universal glycan repository) identifiers. Special attention was devoted to describing the bound glycans using simple graphical representation and numerical format for cross-referencing to other glycosciences and functional data databases. CBMcarb-DB provides detailed information on CBMs and their bound oligosaccharides and features their interactions using several open-access applications. We also describe how the curated information provided by CBMcarb-DB can be integrated with AI algorithms of 3D structure prediction, facilitating structure–function studies. Also in this chapter, we discuss the exciting convergence of CBMcarb-DB with the glycan array repository, which serves as a valuable resource for investigating the specific binding interactions between glycans and various biomolecular targets. The interaction of the two fields represents a significant milestone in glycosciences. CBMcarb-DB is freely available at https://cbmdb.glycopedia.eu/ and https://cbmcarb.webhost.fct.unl.pt.
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Progress on the Synthesis and Applications of Aminals: Scaffolds for Molecular Diversity - Rippel, Rafael; Ferreira, Luisa M.; Branco, Paula S. (SYNTHESIS-STUTTGART, 2024)
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An allosteric redox switch involved in oxygen protection in a CO2 reductase - Ana Rita Oliveira; Mota, Cristiano; Vilela-Alves, Guilherme; Manuel, Rita Rebelo; Pedrosa, Neide; Fourmond, Vincent; Klymanska, Kateryna; Léger, Christophe; Guigliarelli, Bruno; Romão, Maria João; Cardoso Pereira, Inês A. (Nat Chem Biol, 2024)
Metal-dependent formate dehydrogenases reduce CO2 with high efficiency and selectivity, but are usually very oxygen sensitive. An exception is Desulfovibrio vulgaris W/Sec-FdhAB, which can be handled aerobically, but the basis for this oxygen tolerance was unknown. Here we show that FdhAB activity is controlled by a redox switch based on an allosteric disulfide bond. When this bond is closed, the enzyme is in an oxygen-tolerant resting state presenting almost no catalytic activity and very low formate affinity. Opening this bond triggers large conformational changes that propagate to the active site, resulting in high activity and high formate affinity, but also higher oxygen sensitivity. We present the structure of activated FdhAB and show that activity loss is associated with partial loss of the metal sulfido ligand. The redox switch mechanism is reversible in vivo and prevents enzyme reduction by physiological formate levels, conferring a fitness advantage during O2 exposure.
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Family GH157 enzyme exhibits broad linkage tolerance and a dual endo/exo- β -glucanase activity on β-glucans - Caseiro, Catarina; McGregor, Nicholas G.S.; Alves, Victor Diogo; Ana Luísa Carvalho; Romão, Maria João; Davies, Gideon J.; Fontes, Carlos M. G. A.; Bule, Pedro (2024)
The structural and chemical diversity of β-glucans is reflected on the variety of essential biological roles tackled by these polysaccharides. This natural heterogeneity requires an elaborate assortment of enzymatic mechanisms to assemble, degrade or modify, as well as to extract their full biotechnological potential. Recent metagenomic efforts have provided an unprecedented growth in potential new biocatalysts, most of which remain unconfirmed or uncharacterized. Here we report the first biochemical and structural characterization of two bacterial β-glucanases from the recently created glycoside hydrolase family 157 (LaGH157 and BcGH157) and investigate their molecular basis for substrate hydrolysis. Structural analysis by X-ray crystallography revealed that GH157 enzymes belong to clan GH-A, possessing a (β/α)8-barrel fold catalytic domain, two β-sandwich accessory domains and two conserved catalytic glutamates residues, with relative positions compatible with a retaining mechanism of hydrolysis. Specificity screening and enzyme kinetics suggest that the enzymes prefer mixed-linkage glucans over β-1,3-glucans. Activity screening showed that both enzymes exhibit pH optimum at 6.5 and temperature optimum for LaGH157 and BcGH157 at 25 °C and 48 °C, respectively. Product analysis with HPAEC-PAD and LC-MS revealed that both enzymes are endo-1,3(4)-β-glucanases, capable of cleaving β-1,3 and β-1,4-linked glucoses, when preceded by a β-1,3 linkage. Moreover, BcGH157 needs a minimum of 4 subsites occupied for hydrolysis to occur, while LaGH157 only requires 3 subsites. Additionally, LaGH157 possesses exohydrolytic activity on β-1,3 and branching β-1,6 linkages. This unusual bifunctional endo-1,3(4)/exo-1,3–1,6 activity constitutes an expansion on our understanding of β-glucan deconstruction, with the potential to inspire future applications.
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Keywords: CAZYme; Endo-1,3(4)-β-glucanase; GH157; Glycoside hydrolase; β-Glucans

Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement - Vilela-Alves, Guilherme; Manuel, Rita Rebelo; Viegas, Aldino; Philippe Carpentier; Biaso, Frédéric; Guigliarelli, Bruno; Pereira, Inês Cardoso; Romão, Maria João; Mota, Cristiano (Chemical Science, 2024)
Metal-dependent formate dehydrogenases are very promising targets for enzyme optimization and design of bio-inspired catalysts for CO2 reduction, towards innovative strategies for climate change mitigation. For effective application of these enzymes, the catalytic mechanism must be better understood, and the molecular determinants clarified. Despite numerous studies, several doubts persist, namely regarding the role played by the possible dissociation of the SeCys ligand from the Mo/W active site. Additionally, the oxygen sensitivity of these enzymes must also be understood as it poses an important obstacle for biotechnological applications. Here we present a combined biochemical, spectroscopic, and structural characterization of Desulfovibrio vulgaris FdhAB (DvFdhAB) when exposed to oxygen in the presence of a substrate (formate or CO2). This study reveals that O2 inactivation is promoted by the presence of either substrate and involves forming a different species in the active site, captured in the crystal structures, where the SeCys ligand is displaced from tungsten coordination and replaced by a dioxygen or peroxide molecule. This form was reproducibly obtained and supports the conclusion that, although W-DvFdhAB can catalyse the oxidation of formate in the presence of oxygen for some minutes, it gets irreversibly inactivated after prolonged O2 exposure in the presence of either substrate.
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Widespread extracellular electron transfer pathways for charging microbial cytochrome OmcS nanowires via periplasmic cytochromes PpcABCDE - Portela, Pilar C.; Shipps, Catharine C.; Shen, Cong; Srikanth, Vishok; Salgueiro, , Carlos A.; Malvankar, Nikhil S. (Nature Communications, 2024)
Extracellular electron transfer (EET) via microbial nanowires drives globally-important environmental processes and biotechnological applications for bioenergy, bioremediation, and bioelectronics. Due to highly-redundant and complex EET pathways, it is unclear how microbes wire electrons rapidly (>106 s−1) from the inner-membrane through outer-surface nanowires directly to an external environment despite a crowded periplasm and slow (<105 s−1) electron diffusion among periplasmic cytochromes. Here, we show that Geobacter sulfurreducens periplasmic cytochromes PpcABCDE inject electrons directly into OmcS nanowires by binding transiently with differing efficiencies, with the least-abundant cytochrome (PpcC) showing the highest efficiency. Remarkably, this defined nanowire-charging pathway is evolutionarily conserved in phylogenetically-diverse bacteria capable of EET. OmcS heme reduction potentials are within 200 mV of each other, with a midpoint 82 mV-higher than reported previously. This could explain efficient EET over micrometres at ultrafast (<200 fs) rates with negligible energy loss. Engineering this minimal nanowire-charging pathway may yield microbial chassis with improved performance.
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Tweaking the redox properties of PpcA from Geobacter metallireducens with protein engineering - Portela, Pilar C.; Silva, , Marta A.; Almeida, Alexandre; Damas, Gonçalo F; Salgueiro, , Carlos A. (Biochemical Journal, 2024)
Geobacter’s unique ability to perform extracellular electron transfer (EET) to electrodes in Microbial Fuel Cells (MFCs) has sparked the implementation of sustainable production of electrical energy. However, the electrochemical performance of Geobacter’s biofilms in MFCs remains challenging to implement industrially. Multiple approaches are being investigated to enhance MFC technologies. Protein engineering of multihaem cytochromes, key components of Geobacter’s EET pathways, can, conceivably, be pursued to improve the EET chain. The periplasmic cytochrome PpcA bridges ET from the inner to the outer membrane and its deletion impairs this crucial step. The functional characterisation of PpcA homologs from G. sulfurreducens (Gs) and G. metallireducens (Gm) revealed a significantly different redox behaviour even though they only differ by thirteen amino acids. In a previous study, we found that the single replacement of a tryptophan residue by methionine (W45M) in PpcAGm shifted the reduction potential value 33% towards that of PpcAGs. In this work, we expanded our investigation to include other non-conserved residues by conducting five mutation rounds. We identified the most relevant residues controlling the redox properties of PpcAGm. With just four mutations (K19, G25, N26, W45) the reduction potential value of PpcAGm was shifted 71% toward that of PpcAGs. Additionally, in the quadruple mutant, it was possible to replicate the haem oxidation order and the functional mechanisms of PpcAGs, which differ from those in PpcAGm. Overall, the mutants exhibit diverse redox and functional mechanisms that could be explored as a library for the future design of minimal, synthetic, ET chains in Geobacter.
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An allosteric redox switch involved in oxygen protection in a CO2 reductase - Ana Rita Oliveira; Mota, Cristiano; Vilela-Alves, Guilherme; Manuel, Rita Rebelo; Pedrosa, Neide; Fourmond, Vincent; Klymanska, Kateryna; Léger, Christophe; Guigliarelli, Bruno; Romão, Maria João; Pereira, Inês A. Cardoso (Nature Chemical Biology, 2024)

Carbon threads supercapacitors for washable e-textile applications: configurations and electrochemical performance - J.T. Henriques; Catarina Carmo; Marques, Ana; Ferreira, Isabel; Baptista, Ana (ACS Applied Engineering Materials, 2024)

Cellulose Acetate and Polycaprolactone Fibre Coatings on Medical-Grade Metal Substrates for Controlled Drug Release - Catarina Cidade do Carmo; Brito, Miguel; Oliveira, J.P.; Marques, Ana; Ferreira, Isabel; Baptista, Ana (Polymers 2024, 2024)

Controlled Surface Textures of Elastomeric Polyurethane Janus Particles: A Comprehensive Review. - Trindade, AC (Polymers, 2024)

Development of a transdermal patch for drug delivery using electrical stimulation - Marta Marques (FCT Nova, 2024)

Enhancing charge storage capacity of cellulose-sweat-based electrolyte flexible supercapacitors with electrochemically exfoliated free-standing carbon yarn electrodes - Amjid Rafique; Ferreira, Isabel; Bundaleski, Nenad; Teodoro, O. M. N. D.; Baptista, Ana (FlatChem, 2024)

Exploring The Synthesis of Aminal Guanidine-Based Molecules: Synthesis of Cernumidine and Analogues, and Survey of its Anti-inflammatory Activity - Rippel, R.; Leitão, F.; Georgieva, M.K.; Mamede, M.; Gomes, C.S.B.; Roma-Rodrigues, C.; Fernandes, A. R.; A. Lourenço; Ferreira, LM; Branco, P. S. (New J. Chem., 2024)

MXene-Enhanced Nanoscale Photoconduction in Perovskite Solar Cells Revealed by Conductive Atomic Force Microscopy - S. Panigrahi; S. Jana; Calmeiro, T; E. Fortunato; M. J. Mendes; R. Martins (ACS Applied Materials & Interfaces, 2024)

New triazinephosphonate dopants for Nafion proton Exchange membranes (PEM) - F. C. Teixeira; A. P. S. Teixeira; C.M. Rangel (Beilstein Journal of Organic Chemistry, 2024)

Phosphate-Containing Glycolipids: A Review on Synthesis and Bioactivity - Pinheiro, L.; Freitas, M; Branco, P. S. (ChemMedChem, 2024)

Public policies for Industry 4.0: some lessons from the Portuguese case - Candeias, Marta; Moniz, António B. (International Journal of Automotive Technology and Management, 2024)
In Portugal, digital transition was structured with national public policies since 2003. In 2017, initiatives for the adoption of Industry 4.0 concepts are implemented in Portugal. We analysed the diffusion and implementation of these technologies, in Portugal. Some questions were raised: has the interplay between public policies, state agencies and industrial relations players in the process been articulated, as in Germany? What have been the effects of these technologies on workers and organisations? Are the public initiatives in place enough or more is needed? Qualitative and quantitative approaches were used to collect evidence on the main features and constraints of a public policy for Industry 4.0, based on the case study of the automotive sector in Portugal. Findings suggest the need to balance regulatory policies on data related risks, and investment policies towards education, training and organisational innovation are needed to complement technology development and adoption support.

Solar fuels design: Porous cathodes modeling for electrochemical carbon dioxide reduction in aqueous electrolytes - I. S. Fernandes; D. Antunes; R. Martins; M. J. Mendes; Ana S. Reis-Machado (Helyon, 2024)

Structural and biochemical characterization of the M405S variant of Desulfovibrio vulgaris formate dehydrogenase - Vilela-Alves, Guilherme; Manuel, Rita Rebelo; Pedrosa, Neide; Pereira, Inês A. Cardoso; Romão, Maria João; Mota, Cristiano (Acta Crystallographica Section F: Structural Biology Communications, 2024)

Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement - Vilela-Alves, Guilherme; Manuel, Rita Rebelo; Viegas, Aldino; Philippe Carpentier; Biaso, Frédéric; Guigliarelli, Bruno; Pereira, Inês A. Caroso; Romão, Maria João; Mota, Cristiano (Chemical Science, 2024)

Anti-inflammatory and antiproliferative activity of Helichrysum odoratissimum sweet. Against lung cancer - Esmear, Tenille; Twilley, Danielle; Thipe, Velaphi Clement; Katti, Kattesh V.; Mandiwana, Vusani; Kalombo, Michel Lonji; Ray, Suprakas Sinha; Rikhotso-Mbungela, Rirhandzu; Bovilla, Venugopal Reddy; Madhunapantula, Subba Rao; Lenka Langhanshova; Catarina Roma-Rodrigues; et al. (South African Journal of Botany, 2024)
Lung cancer remains the top killing cancer worldwide despite advances in treatment. Seven ethanolic plant extracts were selected and evaluated for their antiproliferative activity against the two main types of lung cancers: non-small cell (A549) and small cell lung cancer cells (SHP-77). An ethanolic extract of Helichrysum odoratissimum Sweet (HO) showed significant antiproliferative activity against lung cancer, with a fifty percent inhibitory concentration (IC50) of 83.43 ± 1.60 µg/mL (A549), 49.46 ± 0.48 µg/mL (SHP-77) and 50.71 ± 2.27 µg/mL, against normal lung epithelial cells (MRC-5), resulting in a selectivity index (SI) value of 0.61 on A549 cells and 1.03 on SHP-77 cells, which was compared to the positive drug control, actinomycin D where the SI values were found to be 2 and 0.25 against A549 and SHP-77 cells, respectively. Against murine macrophages (RAW 264.7) and hepatocytes (HepG2), the HO ethanolic extract showed IC50 values of 60.15 ± 1.98 µg/mL and 23.61 ± 1.06 µg/mL, respectively. Microscopy showed that the HO ethanolic extract induced apoptosis in the A549 and HepG2 cells at 50 µg/mL and 300 µg/mL, respectively. The HO ethanolic extract, furthermore, inhibited the pro-inflammatory enzymes, cyclooxygenase 2 (COX-2) and 5-lipoxygenase (5-LOX) with IC50 values of 7.94 ± 3.84 µg/mL and 2.08 ± 1.35 µg/mL, respectively, whereas the positive controls Ibuprofen (COX-2) and Zileuton (5-LOX) showed IC50 values of 0.85 ± 0.14 µg/mL and 0.06 ± 0.05 µg/mL, respectively. The activity of NAD(P)H quinone oxidoreductase-1 (NQO1), which is a direct target of nuclear factor erythroid-2-related factor-2 (NRF2), was significantly inhibited in the A549 cells by the HO ethanolic extract (at 125 µg/mL) when compared to the positive control, brusatol (at 500 nM). Using the ex ovo yolk sac membrane (YSM) assay, the HO ethanolic extract (at 18.5 µg/egg) showed a 31.65 ± 12.80% inhibition of blood vessel formation. This is the first report of the noteworthy antiproliferative activity of the HO ethanolic extract on lung cancer cells including its potential to target several enzymes associated with inflammation and therefore, should be considered for further analysis.
Funding Information: This research was supported by the University of Pretoria, the National Research Foundation (NRF) and The Department of Science and Innovation, South Africa ( 98334 and 120360 ) and FCT-MCTES ( UIDP/04378/2020 and UIDB/04378/2020 ). Publisher Copyright: © 2024 SAAB
Keywords: 5-LOX; A549 lung cancer cells; Anti-inflammatory; COX-2; Gold nanoparticles; Helichrysum odoratissimum sweet.; In vivo angiogenesis; Microscopy; NQO1; Yolk sac membrane assay

Assessing the gene silencing potential of AuNP-based approaches on conventional 2D cell culture versus 3D tumor spheroid - Oliveira, Beatriz B.; Fernandes, Alexandra R; Baptista, Pedro Viana (Frontiers in Bioengineering and Biotechnology, 2024)
Three-dimensional (3D) cell culture using tumor spheroids provides a crucial platform for replicating tissue microenvironments. However, effective gene modulation via nanoparticle-based transfection remains a challenge, often facing delivery hurdles. Gold nanoparticles (AuNPs) with their tailored synthesis and biocompatibility, have shown promising results in two-dimensional (2D) cultures, nevertheless, they still require a comprehensive evaluation before they can reach its full potential on 3D models. While 2D cultures offer simplicity and affordability, they lack physiological fidelity. In contrast, 3D spheroids better capture in vivo conditions, enabling the study of cell interactions and nutrient distribution. These models are essential for investigating cancer behavior, drug responses, and developmental processes. Nevertheless, transitioning from 2D to 3D models demands an understanding of altered internalization mechanisms and microenvironmental influences. This study assessed ASO-AuNP conjugates for silencing the c-MYC oncogene in 2D cultures and 3D tumor spheroids, revealing distinctions in gene silencing efficiency and highlighting the microenvironment’s impact on AuNP-mediated gene modulation. Herein, we demonstrate that increasing the number of AuNPs per cell by 2.6 times, when transitioning from a 2D cell model to a 3D spheroid, allows to attain similar silencing efficiencies. Such insights advance the development of targeted gene therapies within intricate tissue-like contexts.
Funding Information: info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0140%2F2020/PT# info:eu-repo/grantAgreement/FCT/3599-PPCDT/2022.04315.PTDC/PT# info:eu-repo/grantAgreement/FCT//2020.07660.BD/PT# Publisher Copyright: Copyright © 2024 Oliveira, Fernandes and Baptista.
Keywords: 3D spheroids; c-Myc; cancer models; Gene silencing; Gold nanoparticles

Breaking the mold: 3D cell cultures reshaping the future of cancer research - Cordeiro, Sandra; Oliveira, Beatriz B.; Valente, Ruben; Ferreira, Daniela; Luz, André; Baptista, Pedro V; Fernandes, Alexandra R (Frontiers in Cell and Developmental Biology, 2024)
Despite extensive efforts to unravel tumor behavior and develop anticancer therapies, most treatments fail when advanced to clinical trials. The main challenge in cancer research has been the absence of predictive cancer models, accurately mimicking the tumoral processes and response to treatments. The tumor microenvironment (TME) shows several human-specific physical and chemical properties, which cannot be fully recapitulated by the conventional 2D cell cultures or the in vivo animal models. These limitations have driven the development of novel in vitro cancer models, that get one step closer to the typical features of in vivo systems while showing better species relevance. This review introduces the main considerations required for developing and exploiting tumor spheroids and organoids as cancer models. We also detailed their applications in drug screening and personalized medicine. Further, we show the transition of these models into novel microfluidic platforms, for improved control over physiological parameters and high-throughput screening. 3D culture models have provided key insights into tumor biology, more closely resembling the in vivo TME and tumor characteristics, while enabling the development of more reliable and precise anticancer therapies.
info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0140%2F2020/PT# info:eu-repo/grantAgreement/FCT/Concurso de Projetos de I&D em Todos os Domínios Científicos - 2022/2022.04315.PTDC/PT# info:eu-repo/grantAgreement/FCT//2021.08629.BD/PT# info:eu-repo/grantAgreement/FCT/OE/2020.07660.BD/PT# info:eu-repo/grantAgreement/FCT//2022.09845.BD/PT# info:eu-repo/grantAgreement/FCT//2020.06599.BD/PT# info:eu-repo/grantAgreement/FCT//2022.12161.BD/PT# Publisher Copyright: Copyright © 2024 Cordeiro, Oliveira, Valente, Ferreira, Luz, Baptista and Fernandes.
Keywords: 3D models; chips; drug screening; patient-derived organoids (PDOs); personalized medicine; Spheroids

Copper(II) Complexes with 2,2′:6′,2″-Terpyridine Derivatives Displaying Dimeric Dichloro−μ-Bridged Crystal Structure: Biological Activities from 2D and 3D Tumor Spheroids to In Vivo Models - Choroba, Katarzyna; Machura, Barbara; Erfurt, Karol; Casimiro, Ana Rita; Cordeiro, Sandra; Baptista, Pedro V; Fernandes, Alexandra R (Journal Of Medicinal Chemistry, 2024)
Eight 2,2′:6′,2″-terpyridines, substituted at the 4′-position with aromatic groups featuring variations in π-conjugation, ring size, heteroatoms, and methoxy groups, were employed to enhance the antiproliferative potential of [Cu2Cl2(R-terpy)2](PF6)2. Assessing the cytotoxicity in A2780 (ovarian carcinoma), HCT116 (colorectal carcinoma), and HCT116DoxR (colorectal carcinoma resistant to doxorubicin) and normal primary fibroblasts revealed that Cu(II) complexes with 4-quinolinyl, 4-methoxy-1-naphthyl, 2-furanyl, and 2-pyridynyl substituents showed superior therapeutic potential in HCT116DoxR cells with significantly reduced cytotoxicity in normal fibroblasts (42-129× lower). Besides their cytotoxicity, the Cu(II) complexes are able to increase intracellular ROS and interfere with cell cycle progression, leading to cell death by apoptosis and autophagy. Importantly, they demonstrated antimetastatic and antiangiogenic properties without in vivo toxicity. In accordance with their nuclear accumulation, the Cu(II) complexes are able to cleave pDNA and interact with bovine serum albumin, which is a good indication of their ability for internalization and transport toward tumor cells.
Funding Information: info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0140%2F2020/PT# info:eu-repo/grantAgreement/FCT/OE/2021.08629.BD/PT# This work was cofinanced by national funds from FCT-Fundação para a Ciência e a Tecnologia, I.P., in the scope of the project UIDP/04378/2020 (doi: 10.54499/UIDP/04378/2020) and UIDB/04378/2020 (doi: 10.54499/UIDB/04378/2020) of the Research Unit on Applied Molecular Biosciences-UCIBIO and the project LA/P/0140/2020 of the Associate Laboratory Institute for Health and Bioeconomy-i4HB and doctoral grant 2021.08629.BD (S.C.), and project NANOHEAT (doi: 10.54499/2022.04315.PTDC) and the Research Excellence Initiative of the University of Silesia in Katowice (B.M.). K.C. acknowledges funding from the National Science Center of Poland grant MINIATURA no. 2022/06/X/ST4/00351. Publisher Copyright: © 2024 The Authors. Published by American Chemical Society.

Detecting mir-155-3p through a Molecular Beacon Bead-Based Assay - Moreira, David; Alexandre, Daniela; Miranda, André; Pedro Lourenço; Baptista, Pedro V; Tomaz, Cândida; Lu, Yi; Cruz, Carla (Molecules, 2024)
Lung cancer (LC) is recognized as one of the most prevalent and lethal cancers worldwide, underscoring an urgent need for innovative diagnostic and therapeutic approaches. MicroRNAs (miRNAs) have emerged as promising biomarkers for several diseases and their progression, such as LC. However, traditional methods for detecting and quantifying miRNAs, such as PCR, are time-consuming and expensive. Herein, we used a molecular beacon (MB) bead-based assay immobilized in a microfluidic device to detect miR-155-3p, which is frequently overexpressed in LC. The assay relies on the fluorescence enhancement of the MB upon binding to the target miRNA via Watson and Crick complementarity, resulting in a conformational change from a stem–loop to a linear structure, thereby bringing apart the fluorophores at each end. This assay was performed on a microfluidic platform enabling rapid and straightforward target detection. We successfully detected miR-155-3p in a saline solution, obtaining a limit of detection (LOD) of 42 nM. Furthermore, we evaluated the method’s performance in more complex biological samples, including A549 cells’ total RNA and peripheral blood mononuclear cells (PBMCs) spiked with the target miRNA. We achieved satisfactory recovery rates, especially in A549 cells’ total RNA.
Funding Information: This study was developed within the scope of the CICS-UBI projects 10.54499/UIDB/00709/2020 and 10.54499/UIDP/00709/2020; LA/P/0140/2020, financed by national funds through the Portuguese Foundation for Science and Technology/MCTES; “Bolsa de Investigação em Oncologia Dr. Rocha Alves do Núcleo Regional do Centro da Liga Portuguesa Contra o Cancro”, Instruct-ERIC Pilot R&D application ID 2473, and PAPILOMA ref. CENTRO-01-0145-FEDER-181235. David Moreira, André Miranda, and Daniela Alexandre acknowledge doctoral fellowship grants from FCT https://doi.org/10.54499/2023.02001.BD, https://doi.org/10.54499/2021.07695.BD and https://sciproj.ptcris.pt/80505DFA, respectively. Pedro Lourenço acknowledges a fellowship grant financed by FCT to CICS-UBI (ref. UIDP/00709/2020). Publisher Copyright: © 2024 by the authors.
Keywords: Lung cancer; microfluidics; mir-155-3p; molecular beacon

Discovery of Novel Fluorescent Azaindoles with Cytotoxic Action in A2780 Ovarian Carcinoma Cells - Cunha, José C.; Catarina Roma-Rodrigues; Ferreira, Joana R. M.; Baptista, Pedro V; Fernandes, Alexandra R; S. Guieu; Marques, M. Manuel B. (Chemmedchem, 2024)
Azaindole scaffold is a privileged structure in medicinal chemistry and some derivatives have demonstrated to be potential anticancer drugs. Herein, a set of novel azaindoles, comprising the four regioisomers, bearing a morpholine (azaindoles 3a-d) and N-methyl-N-benzylamine (azaindoles 4a-d) groups were prepared. Among these compounds, azaindoles 4 exhibited higher cytotoxicity against the ovarian cancer cell line A2780 and normal dermal fibroblasts compared to azaindoles 3. Furthermore, azaindoles 4b and 4c promoted a delay in the cell cycle of the cancer cell line, inspiring an investigation into the intracellular localization of these derivatives.
© 2024 Wiley‐VCH GmbH. The authors thank the Fundação para a Ciência e Tecnologia (FCT, projects PTDC/QUI-QOR/0712/2020) and fellowship UI/BD/151272/2021 (J. R. M. F.). The authors also thank the support by the Laboratório Associado para a Química Verde (LAQV), which is financed by national funds from FCT/Ministério da Ciência, Tecnologia e Ensino Superior FCT/MCTES (LA/P/0008/2020 DOI 10.54499/LA/P/0008/2020, UIDP/50006/2020 DOI 10.54499/UIDP/50006/2020 and UIDB/50006/2020 DOI 10.54499/UIDB/50006/2020), and the CICE-CO-Aveiro Institute of Materials (UID/CTM/50011/2019, UIDB/50011/2020 & UIDP/50011/2020). The National NMR Facility is supported by FCT, ROTEIRO/0031/2013–PINFRA/22161/2016, co-financed by FEDER through COMPETE 2020, POCI, and PORL and FCT through PID-DAC) and CERMAX (022162). This research was funded by the University of Aveiro, FCT/MEC Centro 2020 and Portugal2020, and the COMPETE program.This work is financed by national funds from FCT – Fundação para a Ciência e a Tecnologia, I.P., in the scope of the project UIDP/04378/2020 (10.54499/UIDP/04378/2020) and UIDB/04378/2020 (10.54499/UIDB/04378/2020) of the Research Unit on Applied Molecular Biosciences – UCIBIO and the project LA/P/0140/2020 of the Associate Laboratory Institute for Health and Bioeconomy – i4HB. C.R.-R. was funded by FCT/MCTES, grant number SFRH/BPD/124612/2016
Keywords: Anticancer; Antiproliferative; Azaindole; Cell cycle arrest; Citotoxicity

Effect of mono- and dinuclear thiosemicarbazone platinacycles in the proliferation of a colorectal carcinoma cell line - Reigosa-Chamorro, Francisco; Cordeiro, Sandra; Pereira, M. Teresa; Filipe, Beatriz; Baptista, Pedro V; Fernandes, Alexandra R; Vila, José M. (Dalton Transactions, 2024)
Herein, we describe the synthesis and characterization of a series of thiosemicarbazone platinacycles. Their activity towards HCT116 and A2780 cancer cell lines as well as normal fibroblasts was explored and conclusions about the influence of their structures were drawn based on the results. Ligands L1-3, tetranuclear compounds [Pt(L1-3)]4, [Pt(L1-3)(PPh3)], and [Pt(L1-L3)2{Ph2P(CH2)4PPh2}], and phosphine derivatives, were deemed unpromising owing to their lack of activity. However, mono-coordinated diphosphine complexes [Pt(L1-L3)(Ph2PCH2PPh2-P)] showed high selectivity and low IC50 values, and their antiproliferative activity was further studied. The three studied derivatives 3a, 3b and 3c showed a fast internalization of HCT116 colorectal cancer cells with similar IC50 values, which induced a depolarization of mitochondrial membrane potential, with the subsequent triggering of apoptosis and autophagy in the case of 3c. In the case of compounds 3a and 3b, cell death mechanisms (extrinsic and intrinsic apoptosis, respectively) were triggered via the induction of reactive oxygen species (ROS). The three compounds were not toxic to a chicken embryo in vivo (after 48 h), and, importantly, showed an anti-angiogenic potential after exposure to the IC50 of compounds 3a, 3b and 3c.
Funding Information: This work is financed by national funds from FCT - Funda\u00E7\u00E3o para a Ci\u00EAncia e a Tecnologia, I.P., in the scope of the project DOI: https://doi.org/10.54499/UIDP/04378/2020 and DOI: https://doi.org/10.54499/UIDB/04378/2020 of the Research Unit on Applied Molecular Biosciences - UCIBIO and the project DOI: https://doi.org/10.54499/LA/P/0140/2020 of the Associate Laboratory Institute for Health and Bioeconomy - i4HB and doctoral grant 2021.08629.BD (S. Cordeiro). We thank Tatiana Fernandes for her help in performing the stability spectral measurements and western blot assay. Funding Information: This work was also made possible thanks to the financial support received from the Xunta de Galicia (Galicia, Spain) under the Grupos de Referencia Competitiva Programme (project GRC2019/14). F. R. thanks the Spanish Ministry of Education (grant FPU15/07145). Publisher Copyright: © 2024 The Royal Society of Chemistry.

The influence of flow electrode channel design on flow capacitive deionization performance: Experimental and CFD modelling insights - H.M. Saif; T.H. Gebregeorgis; Crespo, J. G.; S. Pawlowski (Desalination, 2024)
Flow capacitive deionization (FCDI) is an emerging desalination technology at which flow electrodes (shear-thinning flowable carbon slurries) are used to remove ions from saline water. The geometry of flow electrode channels, which provide the path and ensure the distribution and mixing of the flow electrodes, is one of the most important aspects to be optimized. This work presents experimental and computational fluid dynamics (CFD) modelling analysis of the influence of the geometry of flow electrode channels on FCDI performance. Flow electrode gaskets (with open, serpentine (short) horizontal and serpentine (long) vertical channels) were 3D printed using a polyethylene terephthalate glycol (PET-G) filament. The FCDI cell with a vertical serpentine flow electrode channel exhibited the poorest performance due to channel blockage by carbon particles, while the best results were achieved with a horizontal serpentine flow electrode channel. CFD simulations aided in understanding this behaviour by showing that the channel geometry strongly affects the local shear rate, and thus the local viscosity of flow electrodes. Thus, it is recommended to design channels that induce flow disturbance aiming for increasing the shear rate and hence reducing flow electrode viscosity, therefore promoting their flowability and reducing clogging chances.
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Keywords: 3D printing; Clogging; Computational fluid dynamics (CFD); Flow capacitive deionization (FCDI); Rheology of flow electrodes

Metal ion activation and DNA recognition by the Deinococcus radiodurans manganese sensor DR2539 - Mota, Cristiano; Myles Webster; Melissa Saidi; Ulrike Kapp; Chloe Zubieta; Gabriele Giachin; José Antonio Manso; de Sanctis, Daniele (bioRxiv, 2024)
The accumulation of manganese ions is crucial for scavenging reactive oxygen species (ROS) and protecting the proteome of Deinococcus radiodurans (Dr). However, metal homeostasis still needs to be tightly regulated to avoid toxicity. DR2539, a dimeric transcription regulator, plays a key role in Dr manganese homeostasis. Despite comprising three well-conserved domains: a DNA binding domain, a dimerization domain, and an ancillary domain, both the metal ion activation mechanism and the DNA recognition mechanism remain elusive. In this study, we present biophysical analyses and the structure of the dimerization and DNA binding domains of DR2539 in its holo form and in complex with the 21 bp pseudo-palindromic repeat of the dr1709 promotor region. These findings shed light into the activation and recognition mechanisms. The dimer presents eight manganese binding sites that induce structural conformations essential for DNA binding. The analysis of the protein-DNA interfaces elucidates the significance of Tyr59 and helix H3 sequence in the interaction with the DNA. Finally, the structure in solution as determined by small angle X-ray scattering experiments and supported by AlphaFold modelling provides a model illustrating the conformational changes induced upon metal binding.Competing Interest StatementThe authors have declared no competing interest.
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Mild hyperthermia via gold nanoparticles and visible light irradiation for enhanced siRNA and ASO delivery in 2D and 3D tumour spheroids - Ferreira, Daniela; Fernandes, Alexandra R; Baptista, Pedro V (Cancer Nanotechnology, 2024)
Background: The delivery of therapeutic nucleic acids, such as small interfering RNA (siRNA) and antisense oligonucleotides (ASO) into cells, is widely used in gene therapy. Gold nanoparticles (AuNPs) have proved to be effective in delivering silencing moieties with high efficacy. Moreover, AuNPs offer the possibility of spatial–temporal triggering of cell uptake through light irradiation due to their unique optical properties. Our study focuses on the use of AuNPs as improved vectorisation agents through mild photothermy triggered by visible light irradiation. This method promotes the transfection of oligonucleotides for gene silencing in 2D cells and more complex 3D spheroids. Results: Improving gene silencing strategies in 3D cell cultures is crucial since it provides more effective in vitro models to study cellular responses that closely resemble the in vivo tumour microenvironment. We demonstrate the potential of mild photothermy by effectively silencing the GFP gene in 2D cell cultures: HCT116 and MCF-7. Then we showed that mild photothermy could be effectively used for silencing the c-MYC oncogene transcript, which is greatly overexpressed in cancer cells. A decrease of 25% and 30% in c-MYC expression was observed in HCT116 2D cells and 7-day 3D spheroids, respectively. Conclusions: In summary, our findings offer a novel transfection approach for gene therapy applications in 2D and 3D tumour models. This approach is based on the use of mild photothermy mediated by AuNPs combined with visible laser irradiation that might pave the way for the spatial–temporal control of gene modulation.
Publisher Copyright: © The Author(s) 2024. info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0140%2F2020/PT# info:eu-repo/grantAgreement/FCT/OE/2020.06599.BD/PT# info:eu-repo/grantAgreement/FCT/Concurso de Projetos de I&D em Todos os Domínios Científicos - 2022/2022.04315.PTDC/PT# PVB acknowledges 2021.09768.CBM.
Keywords: 3D tumour spheroids; Gene silencing; Gold nanoparticles; Laser irradiation; Mild hyperthermy; Therapeutic nucleic acids transfection

Optimization of Antiproliferative Properties of Triimine Copper(II) Complexes - Choroba, Katarzyna; Bartosz Zowiślok; Kula, Sławomir; Machura, Barbara; Maroń, Anna M.; Erfurt, Karol; Marques, Cristiana; Cordeiro, Sandra; Baptista, Pedro V; Fernandes, Alexandra R (Journal Of Medicinal Chemistry, 2024)
Cu(II) complexes with 2,2′:6′,2″-terpyridines (terpy) and 2,6-bis(thiazol-2-yl)pyridines (dtpy) with 1- or 2-naphtyl and methoxy-naphtyl were synthesized to elucidate the impact of the triimine core, naphtyl linking mode, and presence of methoxy groups on the antiproliferative activity of [CuCl2(Ln)]. Their antiproliferative effect was analyzed in ovarian (A2780) and colorectal (HCT116) carcinomas and colorectal carcinoma resistant to doxorubicin (HCT116-DoxR) cell lines and in normal human fibroblasts. Among all complexes, the 1- and 2-naphtyl substituted terpy Cu(II) complexes (Cu1a and Cu1b) showed the strongest cytotoxicity, namely, in HCT116-DoxR 2Dcells and were also capable of inducing the loss of cell viability in 3D HCT116-DoxR spheroids. Their intracellular localization, capability to increase reactive oxygen species (ROS), and interaction with DNA (nonintercalative mode) trigger oxidative DNA cleavage leading to cell death by apoptosis and autophagy. Cu1a and Cu1b do not show in vivo toxicity in a chicken embryo and can interact with bovine serum albumin (BSA).
Funding Information: This research was funded by the National Science Centre of Poland, SONATA grant no. 2020/39/D/ST4/00286 (A.M.M.). The research activities were cofinanced by the funds granted under the Research Excellence Initiative of the University of Silesia in Katowice. This work was also financed by national funds from FCT - Fundac\u0327a\u0303o para a Cie\u0302ncia e a Tecnologia, I.P., in the scope of the project UIDP/04378/2020 and UIDB/04378/2020 of the Research Unit on Applied Molecular Biosciences - UCIBIO and the project LA/P/0140/2020 of the Associate Laboratory Institute for Health and Bioeconomy - i4HB. We also thank Fundac\u0327a\u0303o para a Cie\u0302ncia e Tecnologia (FCT), I.P./MCTES for the financial support through the project NANOHEAT (DOI: 10.54499/2022.04315.PTDC). S.C. was funded by FCT/MCTES, grant number 2021.08629.BD. Publisher Copyright: © 2024 The Authors. Published by American Chemical Society.

Periplasmic electron transfer network in Geobacter sulfurreducens revealed by biomolecular interaction studies - Ferreira, Marisa R.; Leonor Morgado; Salgueiro, , Carlos A. (Protein Science, 2024)
Abstract Multiheme cytochromes located in different compartments are crucial for extracellular electron transfer in the bacterium Geobacter sulfurreducens to drive important environmental processes and biotechnological applications. Recent studies have unveiled that for particular sets of electron terminal acceptors, discrete respiratory pathways selectively recruit specific cytochromes from both the inner and outer membranes. However, such specificity was not observed for the abundant periplasmic cytochromes, namely the triheme cytochrome family PpcA-E. In this work, the distinctive NMR spectroscopic signatures of these proteins in different redox states were explored to monitor pairwise interactions and electron transfer reactions between each pair of cytochromes. The results showed that the five proteins interact transiently and can exchange electrons between each other revealing intra-promiscuity within the members of this family. This discovery is discussed in the light of the establishment of an effective electron transfer network by this pool of cytochromes. This network is advantageous to the bacteria as it enables the maintenance of the functional working potential redox range within the cells.
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Keywords: Electron transfer; Geobacter; Multiheme cytochromes; NMR; protein interactions

Shrinking Cancer Research Barriers: Crafting Accessible Tumor-on-Chip Device for Gene Silencing Assays - Oliveira, Beatriz B.; Fernandes, Alexandra R; Baptista, Pedro Viana (Advanced Engineering Materials, 2024)
Tumor-on-chip (ToC) is crucial to bridge the gap between traditional cell culture experiments and in vivo models, allowing to recreate an in vivo-like microenvironment in cancer research. ToC use microfluidics to provide fine-tune control over environmental factors, high-throughput screening, and reduce requirements of samples and reagents. However, creating these microfluidic devices requires skilled researchers and dedicated manufacturing equipment, making widespread adoption cumbersome and difficult. To address some bottlenecks and improve accessibility to ToC technology, innovative materials and fabrication processes are required. Polystyrene (PS) is a promising material for microfluidics due to its biocompatibility, affordability, and optical transparency. Herein, a fabrication process based on direct laser writing on thermosensitive PS, allowing the swift and economical crafting of devices with easy pattern alterations, is presented. For the first time, a device for cell culture fabricated only by PS is presented, allowing customizing and optimization for efficient cell culture approaches. These biochips support 2D and 3D cultures with comparable viability and proliferation kinetics to traditional 96-well plates. The data show that gene and protein silencing efficiencies remain consistent across both chip and plate-based cultures, either 2D culture or 3D spheroid format. Although simple, this approach might facilitate the use of customized chip-based cancer models.
Funding Information: This work is financed by national funds from FCT \u2010 Funda\u00E7\u00E3o para a Ci\u00EAncia e a Tecnologia, I.P., in the scope of the project UIDP/04378/2020 (10.54499/UIDP/04378/2020) and UIDB/04378/2020 (10.54499/UIDB/04378/2020) of the Research Unit on Applied Molecular Biosciences \u2010 UCIBIO and the project LA/P/0140/2020 of the Associate Laboratory Institute for Health and Bioeconomy\u2010 i4HB and in the scope of the project NANOHEAT\u2013https://doi.org/10.54499/2022.04315.PTDC. PVB acknowledges 2021.09768.CBM. BO also acknowledges FCT.IP for the PhD grant (2020.07660.BD). Publisher Copyright: © 2024 Wiley-VCH GmbH.
Keywords: Biochips; Gene silencing; Spheroids; Tumor-on-chips

Tackling Imatinib Resistance via Au-nanoconjugates using A Cml Resistant Cell Line - Abdulmawjood, Bilal; Catarina Roma-Rodrigues; Baptista, Pedro V; Fernandes, Alexandra R (Particle and Particle Systems Characterization, 2024)
Chronic myeloid leukemia (CML) is a rare malignant proliferative hematopoietic disease due to overexpression of a tyrosine kinase (TK) derived from the breakpoint cluster region (BCR)-abelson tyrosine-protein kinase 1 (ABL1) gene fusion. Imatinib (IM), blocks this tyrosine kinase, and is the first line TK inhibitor (TKI) used in CML treatment. In a high percentage of CML patients, a poor response with relapse and disease progression is associated to acquisition of resistance through different mechanisms, including dysregulation of c-MYC proto-oncogene. Gold nanoparticles (AuNPs) are shown to allow improved efficacy in gene silencing approaches toward cancer therapy. Herein, the silencing potential of AuNPs functionalized with antisense oligonucleotides selectively targeting the e14a2 BCR-ABL1 or the c-MYC, alone and combination is evaluated. It is demonstrated efficient silencing of gene expression that translated to a downregulation of protein levels in IM resistant CML cells (K562-IM). This combination allowed for increased death of the malignant cells. These Au-nanoconjugates may be useful to tackle IM-resistance mechanisms, providing an additional tool for future combinatory schemes to fight CML with imatinib resistance.
Funding Information: The authors thank P. Rodrigues for western blot data for MDR1. The authors also thank V. Barreto for allowing the use of the equipment BD accuri C6 for flow cytometry analysis. This work was financed by national funds from FCT – Fundação para a Ciência e a Tecnologia, I.P., in the scope of the project UIDP/0 4378/2020 and UIDB/0 4378/2020 of the Research Unit on Applied Molecular Biosciences – UCIBIO and the project LA/P/0140/2020 of the Associate Laboratory Institute for Health and Bioeconomy – i4HB and project NANOHEAT (2022.04315.PTDC). CRR was funded by FCT/MCTES, grant number SFRH/BPD/124 612/2016. Publisher Copyright: © 2023 Wiley-VCH GmbH.
Keywords: anti-sense oligonucleotides; BCR-ABL1; c-Myc; chronic myeloid leukemia; Gold nanoparticles

Tethered heme domains in a triheme cytochrome allow for increased electron transport distances - Nash, Benjamin W.; Fernandes, Tomás M.; Burton, Joshua A. J.; Leonor Morgado; van Wonderen, Jessica H.; Svistunenko, Dimitri A.; Edwards, Marcus J.; Salgueiro, , Carlos A.; Butt, Julea N.; Clarke, Thomas A. (Protein Science, 2024)
Abstract Decades of research describe myriad redox enzymes that contain cofactors arranged in tightly packed chains facilitating rapid and controlled intra-protein electron transfer. Many such enzymes participate in extracellular electron transfer (EET), a process which allows microorganisms to conserve energy in anoxic environments by exploiting mineral oxides and other extracellular substrates as terminal electron acceptors. In this work, we describe the properties of the triheme cytochrome PgcA from Geobacter sulfurreducens. PgcA has been shown to play an important role in EET but is unusual in containing three CXXCH heme binding motifs that are separated by repeated (PT)x motifs, suggested to enhance binding to mineral surfaces. Using a combination of structural, electrochemical, and biophysical techniques, we experimentally demonstrate that PgcA adopts numerous conformations stretching as far as 180 Å between the ends of domains I and III, without a tightly packed cofactor chain. Furthermore, we demonstrate a distinct role for its domain III as a mineral reductase that is recharged by domains I and II. These findings show PgcA to be the first of a new class of electron transfer proteins, with redox centers separated by some nanometers but tethered together by flexible linkers, facilitating electron transfer through a tethered diffusion mechanism rather than a fixed, closely packed electron transfer chain.
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Keywords: Cytochrome; Electron transfer; flexibility; Heme; microbe–mineral interface

Unlocking hidden mineral resources: Characterization and potential of bitterns as alternative sources of critical raw materials - S. Randazzo; F. Vicari; J. López; M. Salem; R. Lo Brutto; S. Azzouz; S. Chamam; S. Cataldo; N. Muratore; M. Fernández de Labastida; V. Vallès; A. Pettignano; et al. (Journal of Cleaner Production, 2024)
Mineral extraction from seawater brines has emerged as a viable solution to reduce Europe's reliance on imported Critical Raw Materials (CRM). However, the economic viability of this approach hinges on the local demand for sodium chloride, the primary product of such extraction processes. This study investigates the potential of residual brines, commonly known as "bitterns," generated during solar sea-salt extraction in traditional saltworks, as an alternative source of minerals. The Mediterranean region, encompassing South-European, North-African, Near East coasts, and parts of the Atlantic regions, is particularly conducive to exploring this prospect due to its extensive solar sea salt industry. Saltworks in the region, adopting various operational strategies based on feed quality or local climate conditions, produce different types of bitterns, each holding a latent resource potential that has remained largely unexplored. Within the framework of the EU-funded SEArcularMINE project, it was conducted an extensive analytical campaign to characterize bitterns collected from a diverse saltworks network. The analysis revealed the presence of sodium, potassium, magnesium, chloride, sulfate, and bromide in concentrations ranging from g/kg, while boron, calcium, lithium, rubidium, and strontium were found in the mg/kg range. Additionally, trace elements (TEs) such as cobalt, cesium, gallium, and germanium were detected at concentrations in the order of μg/kg. Detailed results on the composition of bitterns are presented, emphasizing the distinct characteristics observed at different sites. The estimated potential for mineral recovery from these bitterns is approximately 190 €/m3, considering the production capacity of about 9 Mm3 per year in the Mediterranean area. This finding underscores the significant contribution that mineral recovery from bitterns could make in securing access to CRMs for the European Union.
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Keywords: Analytical techniques; Bitterns; Critical raw materials; Minerals recovery; Saltworks; Trace elements

Parylene C as a Multipurpose Material for Electronics and Microfluidics - Coelho, Beatriz J.; Pinto, Joana V.; Martins, Jorge; Rovisco, Ana; Barquinha, Pedro; Elvira Fortunato; Baptista, Pedro V; Rodrigo Martins; Rui Igreja (Polymers, 2023)
Poly(p-xylylene) derivatives, widely known as Parylenes, have been considerably adopted by the scientific community for several applications, ranging from simple passive coatings to active device components. Here, we explore the thermal, structural, and electrical properties of Parylene C, and further present a variety of electronic devices featuring this polymer: transistors, capacitors, and digital microfluidic (DMF) devices. We evaluate transistors produced with Parylene C as a dielectric, substrate, and encapsulation layer, either semitransparent or fully transparent. Such transistors exhibit steep transfer curves and subthreshold slopes of 0.26 V/dec, negligible gate leak currents, and fair mobilities. Furthermore, we characterize MIM (metal–insulator–metal) structures with Parylene C as a dielectric and demonstrate the functionality of the polymer deposited in single and double layers under temperature and AC signal stimuli, mimicking the DMF stimuli. Applying temperature generally leads to a decrease in the capacitance of the dielectric layer, whereas applying an AC signal leads to an increase in said capacitance for double-layered Parylene C only. By applying the two stimuli, the capacitance seems to suffer from a balanced influence of both the separated stimuli. Lastly, we demonstrate that DMF devices with double-layered Parylene C allow for faster droplet motion and enable long nucleic acid amplification reactions.
info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0037%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F50025%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F50025%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0140%2F2020/PT# info:eu-repo/grantAgreement/EC/H2020/716510/EU# info:eu-repo/grantAgreement/EC/H2020/787410/EU# info:eu-repo/grantAgreement/EC/H2020/952169/EU# info:eu-repo/grantAgreement/EC/H2020/101008701/EU# info:eu-repo/grantAgreement/FCT/OE/SFRH%2FBD%2F132904%2F2017/PT# info:eu-repo/grantAgreement/FCT/OE/COVID%2FBD%2F152453%2F2022/PT# Publisher Copyright: © 2023 by the authors.
Keywords: dielectric; electronic devices; Encapsulation; Parylene C; substrate; thermal characterization; XRD characterization

Enhancing the Therapeutic Effect in Alzheimer's Disease Drugs: The role of Polypharmacology and Cholinesterase inhibitors - Martins, M. Margarida; Branco, Paula S.; Ferreira, Luisa M. (CHEMISTRYSELECT, 2023)
Alzheimer's disease (AD) is a devastating syndrome that accounts for 60-70 % of all dementia cases, putting an enormous burden on global healthcare and economy. Unfortunately, there is no cure for AD, and the currently approved drugs are limited in their effects. Given the various pathological mechanisms behind AD, the ``one-target, one-drug{''} paradigm for drug design became obsolete, and a new paradigm, polypharmacology, emerged. Consequently, a greater focus has been put towards multi-target directed ligands (MTDLs), as these can regulate several targets operating in the disease network. Parallel to that, cholinesterase inhibitors have regained popularity after decades of being considered only symptomatic agents with no disease-modifying properties. In this review, the current AD hypotheses and therapeutic targets, the concept of polypharmacology in AD pathology and the importance of cholinesterases in the pathogenesis and biochemical processes of AD are discussed, with a final overview of the current development in cholinesterase-based MTDLs.
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Synthesis of 2-(5-(2-Aminopropyl)-2-hydroxyphenyl)acetic Acid, a Metabolite of the Drug 5-APB - Silva, Andre L.; Fino, Ines; Ferreira, Luisa M.; Branco, Paula S. (MOLBANK, 2023)
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Epidermal growth factor alters silica nanoparticle uptake and improves gold-nanoparticle-mediated gene silencing in A549 cells - Susnik, Eva; Bazzoni, Amelie; Taladriz-Blanco, Patricia; Balog, Sandor; Moreno-Echeverri, Aura Maria; Glaubitz, Christina; Brito Oliveira, Beatriz; Ferreira, Daniela; Viana Baptista, Pedro; Petri-Fink, Alke; Barbara Rothen-Rutishauser (Frontiers in Nanotechnology, 2023)
Introduction: Delivery of therapeutic nanoparticles (NPs) to cancer cells represents a promising approach for biomedical applications. A key challenge for nanotechnology translation from the bench to the bedside is the low amount of administered NPs dose that effectively enters target cells. To improve NPs delivery, several studies proposed NPs conjugation with ligands, which specifically deliver NPs to target cells via receptor binding. One such example is epidermal growth factor (EGF), a peptide involved in cell signaling pathways that control cell division by binding to epidermal growth factor receptor (EGFR). However, very few studies assessed the influence of EGF present in the cell environment, on the cellular uptake of NPs. Methods: We tested if the stimulation of EGFR-expressing lung carcinomacells A549 with EGF affects the uptake of 59 nm and 422 nm silica (SiO2) NPs. Additionally, we investigated whether the uptake enhancement can be achieved with gold NPs, suitable to downregulate the expression of cancer oncogene c-MYC. Results: Our findings show that EGF binding to its receptor results in receptor autophosphorylation and initiate signaling pathways, leading to enhanced endocytosis of 59 nm SiO2 NPs, but not 422 nm SiO2 NPs. Additionally, we demonstrated an enhanced gold (Au) NPs endocytosis and subsequently a higher downregulation of c-MYC. Discussion: These findings contribute to a better understanding of NPs uptake in the presence of EGF and that is a promising approach for improved NPs delivery.
Funding Information: info:eu-repo/grantAgreement/FCT/3599-PPCDT/2022.04315.PTDC/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0140%2F2020/PT# info:eu-repo/grantAgreement/FCT/OE/2020.07660.BD/PT# The authors would like to acknowledge the financial support of the NCCR Bioinspired Materials through the Swiss National Science Foundation, the Adolphe Merkle Foundation. Aura Maria Moreno-Echeverri and Barbara Rothen-Rutishauser acknowledge the Swiss National Science Foundation (SNSF) (project 310030_192056/1). Publisher Copyright: Copyright © 2023 Susnik, Bazzoni, Taladriz-Blanco, Balog, Moreno-Echeverri, Glaubitz, Brito Oliveira, Ferreira, Viana Baptista, Petri-Fink and Rothen-Rutishauser.
Keywords: Endocytosis; epidermal growth factor; Gene silencing; Gold; molecular mechanisms; Nanomedicine; nanoparticles; Silica

In Vitro and In Vivo Biological Activities of Dipicolinate Oxovanadium(IV) Complexes - Choroba, Katarzyna; Filipe, Beatriz; Anna Świtlicka; Penkala, Mateusz; Machura, Barbara; Alina Bieńko; Cordeiro, Sandra; Baptista, Pedro V; Fernandes, Alexandra R (Journal Of Medicinal Chemistry, 2023)
The work is focused on anticancer properties of dipicolinate (dipic)-based vanadium(IV) complexes [VO(dipic)(N∩N)] bearing different diimines (2-(1H-imidazol-2-yl)pyridine, 2-(2-pyridyl)benzimidazole, 1,10-phenanthroline-5,6-dione, 1,10-phenanthroline, and 2,2′-bipyridine), as well as differently 4,7-substituted 1,10-phenanthrolines. The antiproliferative effect of V(IV) systems was analyzed in different tumors (A2780, HCT116, and HCT116-DoxR) and normal (primary human dermal fibroblasts) cell lines, revealing a high cytotoxic effect of [VO(dipic)(N∩N)] with 4,7-dimethoxy-phen (5), 4,7-diphenyl-phen (6), and 1,10-phenanthroline (8) against HCT116-DoxR cells. The cytotoxicity differences between these complexes can be correlated with their different internalization by HCT116-DoxR cells. Worthy of note, these three complexes were found to (i) induce cell death through apoptosis and autophagy pathways, namely, through ROS production; (ii) not to be cytostatic; (iii) to interact with the BSA protein; (iv) do not promote tumor cell migration or a pro-angiogenic capability; (v) show a slight in vivo anti-angiogenic capability, and (vi) do not show in vivo toxicity in a chicken embryo.
Funding Information: info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0140%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/OE/2021.08629.BD/PT# funds granted under the Research Excellence Initiative of the University of Silesia in Katowice. The authors thank Dr inż. Mariola Siwy for measurements of elemental analysis. Publisher Copyright: © 2023 The Authors. Published by American Chemical Society.

Open-source tool for real-time and automated analysis of droplet-based microfluidic - Neto, Joana P.; Ana Mota; Gonçalo Lopes; Coelho, Beatriz J.; Frazão, João; Moura, André T.; Beatriz Oliveira; Sieira, Bárbara; Fernandes, José; Elvira Fortunato; Rodrigo Martins; Rui Igreja; et al. (Lab On A Chip, 2023)
Droplet-based microfluidic technology is a powerful tool for generating large numbers of monodispersed nanoliter-sized droplets for ultra-high throughput screening of molecules or single cells. Yet further progress in the development of methods for the real-time detection and measurement of passing droplets is needed for achieving fully automated systems and ultimately scalability. Existing droplet monitoring technologies are either difficult to implement by non-experts or require complex experimentation setups. Moreover, commercially available monitoring equipment is expensive and therefore limited to a few laboratories worldwide. In this work, we validated for the first time an easy-to-use, open-source Bonsai visual programming language to accurately measure in real-time droplets generated in a microfluidic device. With this method, droplets are found and characterized from bright-field images with high processing speed. We used off-the-shelf components to achieve an optical system that allows sensitive image-based, label-free, and cost-effective monitoring. As a test of its use we present the results, in terms of droplet radius, circulation speed and production frequency, of our method and compared its performance with that of the widely-used ImageJ software. Moreover, we show that similar results are obtained regardless of the degree of expertise. Finally, our goal is to provide a robust, simple to integrate, and user-friendly tool for monitoring droplets, capable of helping researchers to get started in the laboratory immediately, even without programming experience, enabling analysis and reporting of droplet data in real-time and closed-loop experiments.
Funding Information: info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0037%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F50025%2F2020/PT# info:eu-repo/grantAgreement/FCT/3599-PPCDT/PTDC%2FBTM-SAL%2F31201%2F2017/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0140%2F2020/PT# Publisher Copyright: © 2023 The Royal Society of Chemistry.

Cell Uptake of Steroid-BODIPY Conjugates and Their Internalization Mechanisms: Cancer Theranostic Dyes - Amendoeira, Ana F.; Luz, André; Valente, Ruben; Catarina Roma-Rodrigues; Ali, Hasrat; {van Lier}, Johan E.; Marques, Fernanda; Baptista, Pedro V; Fernandes, Alexandra R (International Journal of Molecular Sciences, 2023)
Estradiol-BODIPY linked via an 8-carbon spacer chain and 19-nortestosterone- and testosterone-BODIPY linked via an ethynyl spacer group were evaluated for cell uptake in the breast cancer cell lines MCF-7 and MDA-MB-231 and prostate cancer cell lines PC-3 and LNCaP, as well as in normal dermal fibroblasts, using fluorescence microscopy. The highest level of internalization was observed with 11β-OMe-estradiol-BODIPY 2 and 7α-Me-19-nortestosterone-BODIPY 4 towards cells expressing their specific receptors. Blocking experiments showed changes in non-specific cell uptake in the cancer and normal cells, which likely reflect differences in the lipophilicity of the conjugates. The internalization of the conjugates was shown to be an energy-dependent process that is likely mediated by clathrin- and caveolae-endocytosis. Studies using 2D co-cultures of cancer cells and normal fibroblasts showed that the conjugates are more selective towards cancer cells. Cell viability assays showed that the conjugates are non-toxic for cancer and/or normal cells. Visible light irradiation of cells incubated with estradiol-BODIPYs 1 and 2 and 7α-Me-19-nortestosterone-BODIPY 4 induced cell death, suggesting their potential for use as PDT agents.
info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0140%2F2020/PT# info:eu-repo/grantAgreement/FCT/OE/SFRH%2FBPD%2F124612%2F2016/PT# Funding Information: This work was financed by national funds from FCT—Fundação para a Ciência e a Tecnologia, I.P., within the scope of the projects of the Ministry of Science Technology and Higher Education: the project of the Associate Laboratory Institute for Health and Bioeconomy—i4HB and, in part, by the Jeanne and J.-Louis Lévesque foundation, Montreal, QC, Canada (J.E.v.L.). J.E.v.L. is a member of the Research Center of the CHUS (CRCHUS), Sherbrooke, QC, Canada, supported by the Fonds de la Recherche du Québec—Santé. C.R.R., A.L. and R.V. were funded by FCT/MCTES, grant numbers SFRH/BD/12161/2022, and SFRH/BD/09845/2022, respectively. Publisher Copyright: © 2023 by the authors.
Keywords: androgen-BODIPY conjugates; estradiol-BODIPY conjugates; fluorescence imaging; photodynamic therapy; photosensitizers; receptor-mediated cell uptake

Engineering gold nanoparticles for molecular diagnostics and biosensing - Oliveira, Beatriz B.; Ferreira, Daniela; Fernandes, Alexandra R; Baptista, Pedro Viana (Wiley Interdisciplinary Reviews: Nanomedicine and Nanobiotechnology, 2023)
Advances in nanotechnology and medical science have spurred the development of engineered nanomaterials and nanoparticles with particular focus on their applications in biomedicine. In particular, gold nanoparticles (AuNPs) have been the focus of great interest, due to their exquisite intrinsic properties, such as ease of synthesis and surface functionalization, tunable size and shape, lack of acute toxicity and favorable optical, electronic, and physicochemical features, which possess great value for application in biodetection and diagnostics purposes, including molecular sensing, photoimaging, and application under the form of portable and simple biosensors (e.g., lateral flow immunoassays that have been extensively exploited during the current COVID-19 pandemic). We shall discuss the main properties of AuNPs, their synthesis and conjugation to biorecognition moieties, and the current trends in sensing and detection in biomedicine and diagnostics. This article is categorized under: Diagnostic Tools > Biosensing Diagnostic Tools > In Vitro Nanoparticle-Based Sensing Diagnostic Tools > In Vivo Nanodiagnostics and Imaging.
© 2022 Wiley Periodicals LLC. info:eu-repo/grantAgreement/FCT/OE/2020.06599.BD/PT# info:eu-repo/grantAgreement/FCT/OE/2020.07660.BD/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04378%2F2020/PT#
Keywords: biodetection; Bioimaging; diagnostics; Gold nanoparticles; Nanomedicine

Exploring RAB11A Pathway to Hinder Chronic Myeloid Leukemia-Induced Angiogenesis In Vivo - Catarina Roma-Rodrigues; Fernandes, Alexandra R; Baptista, Pedro V (Pharmaceutics, 2023)
Neoangiogenesis is generally correlated with poor prognosis, due to the promotion of cancer cell growth, invasion and metastasis. The progression of chronic myeloid leukemia (CML) is frequently associated with an increased vascular density in bone marrow. From a molecular point of view, the small GTP-binding protein Rab11a, involved in the endosomal slow recycling pathway, has been shown to play a crucial role for the neoangiogenic process at the bone marrow of CML patients, by controlling the secretion of exosomes by CML cells, and by regulating the recycling of vascular endothelial factor receptors. The angiogenic potential of exosomes secreted by the CML cell line K562 has been previously observed using the chorioallantoic membrane (CAM) model. Herein, gold nanoparticles (AuNPs) were functionalized with an anti-RAB11A oligonucleotide (AuNP@RAB11A) to downregulate RAB11A mRNA in K562 cell line which showed a 40% silencing of the mRNA after 6 h and 14% silencing of the protein after 12 h. Then, using the in vivo CAM model, these exosomes secreted by AuNP@RAB11A incubated K562 did not present the angiogenic potential of those secreted from untreated K562 cells. These results demonstrate the relevance of Rab11 for the neoangiogenesis mediated by tumor exosomes, whose deleterious effect may be counteracted via targeted silencing of these crucial genes; thus, decreasing the number of pro-tumoral exosomes at the tumor microenvironment.
Funding Information: info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/OE/SFRH%2FBPD%2F124612%2F2016/PT# project LA/P/0140/2020 of the Associate Laboratory Institute for Health and Bioeconomy—i4HB. This work is also funded by Fundação para a Ciência e Tecnologia in the scope of the project 2022.04315.PTDC. Publisher Copyright: © 2023 by the authors.
Keywords: chronic myeloid leukemia; Exosomes; Gold nanoparticles; small rab GTPase Rab11a

Half-sandwich Ru(II) N-heterocyclic carbene complexes in anticancer drug design - Lenis Rojas, Oscar A.; Cordeiro, Sandra; Baptista, Pedro V; Fernandes, Alexandra R (Journal of Inorganic Biochemistry, 2023)
The ruthenium arene fragment is a rich source for the design of anticancer drugs; in this design, the co-ligand is a critical factor for obtaining effective anticancer complexes. In comparison with other types of ligands, N-heterocyclic carbenes (NHCs) have been less explored, despite the versatility in structural modifications and the marked stabilization of metal ions, being these characteristics important for the design of metal drugs. However, notable advances have been made in the development of NHC Ruthenium arene as anticancer agents. These advances include high antitumor activities, proven both in in vitro and in in vivo models and, in some cases, with marked selectivity against tumorigenic cells. The versatility of the structure has played a fundamental role, since they have allowed a selective interaction with their molecular targets through, for example, bio-conjugation with known anticancer molecules. For this reason, the structure-activity relationship of the imidazole, benzimidazole, and abnormal NHC ruthenium (II) η6-arene complexes have been studied. Taking into account this study, several synthetic aspects are provided to contribute to the next generations of this kind of complexes. Moreover, in recent years nanotechnology has provided innovative nanomedicines, where half-sandwich Ruthenium(II) complexes are paving their way. In this review, the recent developments in nanomaterials functionalized with Ruthenium complexes for targeted drug delivery to tumors will also be highlighted.
info:eu-repo/grantAgreement/FCT/3599-PPCDT/2022.04315.PTDC/PT info:eu-repo/grantAgreement/FCT/3599-PPCDT/PTDC%2FQUI-QIN%2F0146%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04378%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04612%2F2020/PT# info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04612%2F2020/PT# Funding Information: This work is financed by national funds from FCT – Fundação para a Ciência e a Tecnologia, I.P. in the scope of the project PTDC/QUI/CCL/032351/2017 of the Research Unit on Applied Molecular Biosciences – UCIBIO and the project LA/P/0140/2020 of the Associate Laboratory Institute for Health and Bioeconomy – i4HB. Oscar A. Lenis-Rojas acknowledge national funds through FCT, POPH-Programa Operacional Potencial Humano, FSE (European Social Fund) for the CEEC 2017 Initiative, and LS4FUTURE Associated Laboratory (LA/P/0087/2020). S. Cordeiro acknowledges FCT-MCTES 2021.08629.BD. Publisher Copyright: © 2023
Keywords: Cancer; In vitro models; In vivo models; Metal drugs; N-heterocyclic carbenes; nanomedicines

All-Fibre Photovoltaic Storage Devices for E-Textiles - Mariana Moniz; João Carmo; Inês Sequeira; Amjid Rafique; Ferreira, Isabel; Baptista, Ana (16th International Symposium on Flexible Organic Electronics, 2023)

Carbon Yarn Coated with PEDOT:PSS for Flexible Supercapacitors: Exploring Electrospray Process - Mariana Moniz; João Carmo; Inês Sequeira; Amjid Rafique; Ferreira, Isabel; Baptista, Ana (16th International Symposium on Flexible Organic Electronics, 2023)

Electrospray of PEDOT:PSS: Enhancing the Performance of Solid-State Fiber-Shaped Supercapacitors - Mariana Moniz; Amjid Rafique; João Carmo; Marques, Ana; Ferreira, Isabel; Ana Batista (16th International Symposium on Flexible Organic Electronics, 2023)

All-fibre Photovoltaic Storage Devices for e-Textiles - Baptista, Ana; Mariana Moniz; João Carmo; Inês Sequeira; Amjid Rafique; Inês Ferreira (XXI Congresso da Sociedade Portuguesa de Materiais and XII International Symposium on Materials, 2023)

Exfoliated carbon yarn structure for highly stable flexible supercapacitors electrodes in simulated sweat solutions - Amji Rafique; Mariana Moniz; João Carmo; Marques, Ana; Ferreira, Isabel; Baptista, Ana (XXI Congresso da Sociedade Portuguesa de Materiais and XII International Symposium on Materials, 2023)