Gold Nanotheranostics: Proof-of-Concept or Clinical Tool? - Pedro Pedrosa; Raquel Vinhas; Alexandra Fernandes; Pedro V. Baptista (Nanomaterials, 2015)
Nanoparticles have been making their way in biomedical applications and personalized medicine, allowing for the coupling of diagnostics and therapeutics into a single nanomaterial—nanotheranostics. Gold nanoparticles, in particular, have unique features that make them excellent nanomaterials for theranostics, enabling the integration of targeting, imaging and therapeutics in a single platform, with proven applicability in the management of heterogeneous diseases, such as cancer. In this review, we focus on gold nanoparticle-based theranostics at the lab bench, through pre-clinical and clinical stages. With few products facing clinical trials, much remains to be done to effectively assess the real benefits of nanotheranostics at the clinical level. Hence, we also discuss the efforts currently being made to translate nanotheranostics into the market, as well as their commercial impact.
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Vanadium and proteins: Uptake, transport, structure, activity and function - João Costa Pessoa; Garribba, Eugenio; Santos, Marino F. A.; Santos-Silva, Teresa (The Ninth International Symposium on the Chemistry and Biological Chemistry of Vanadium, 2015)
AbstractVanadium is an element ubiquitously present in our planet's crust and thus there are several organisms that use vanadium for activity or function of proteins. Examples are the vanadium-dependent haloperoxidases and the vanadium-containing nitrogenases. Some organisms that use vanadium have extremely efficient and selective protein-dependent systems for uptake and transport of vanadium and are able to accumulate high levels of vanadium from seawater, vanabins being a unique family of vanadium binding proteins found in ascidians involved in this process. For all of the systems a discussion regarding the role of the V-containing proteins is provided, mostly centered on structural aspects of the vanadium site and, when possible or relevant, relating this to the mechanisms operating. Phosphate is very important in biological systems and is involved in an extensive number of biological recognition and bio-catalytic systems. Vanadate(V) is able to inhibit many of the enzymes involved in these processes, such as ATPases, phosphatases, ribonucleases, phosphodiesterases, phosphoglucomutase and glucose-6-phosphatase, and it appears clear that this is closely related to the analogous physicochemical properties of vanadate and phosphate. The ability of vanadium to interfere with the metabolic processes involving Ca2+ and Mg2+, connected with its versatility to undergo changes in coordination geometry, allow V to influence the function of a large variety of phosphate-metabolizing enzymes and vanadate(V) salts and compounds have been frequently used either as inhibitors of these enzymes, or as probes to study the mechanisms of their reactions and catalytic cycle. In this review we give an overview of the many examples so far reported, also disclosing that vanadate(IV) may also have an equally efficient inhibiting effect. The prospective application of vanadium compounds as therapeutics has also been an important topic of research. How vanadium may be transported in blood and up-taken by cells are particularly relevant issues, this being mainly dependent on transferrin (and albumin) present in blood plasma. The thousands of studies reported on the effects of vanadium compounds reflect the complexity of the interactions occurring. Although it is not easy to anticipate/determine if a particular effect observed in a test tube or in vitro is also going to take place in vivo, it is clear that vanadium ions may interfere with many metabolic processes at many distinct levels. Emphasis is given on structural and functional aspects of vanadium–protein interactions relevant for vanadium binding and/or for clarification of role of the metal center in the reaction mechanisms. The additional knowledge that the presence of vanadium can change the action of a protein, other than simply inhibiting it, may also be important to understand how vanadium affects biological systems. This possibility, together with the vanadate–phosphate analogy further potentiates the belief that vanadium probably has relevant functions in living beings, which may involve interaction or incorporation of the metal ion and/or its compounds with several proteins.
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Keywords: Coordination geometry; Enzyme inhibition; Transition state analogue; Vanadates; Vanadium; Vanadium-Protein structure

Comparison of the Internal Dynamics of Metalloproteases Provides New Insights on Their Function and Evolution - Carvalho, Henrique F.; Roque, Ana C A; Iranzo, Olga; Ricardo J F Branco (PLoS ONE, 2015)
Metalloproteases have evolved in a vast number of biological systems, being one of the most diverse types of proteases and presenting a wide range of folds and catalytic metal ions. Given the increasing understanding of protein internal dynamics and its role in enzyme function, we are interested in assessing how the structural heterogeneity of metalloproteases translates into their dynamics. Therefore, the dynamical profile of the clan MA type protein thermolysin, derived from an Elastic Network Model of protein structure, was evaluated against those obtained from a set of experimental structures and molecular dynamics simulation trajectories. A close correspondence was obtained between modes derived from the coarse-grained model and the subspace of functionally-relevant motions observed experimentally, the later being shown to be encoded in the internal dynamics of the protein. This prompted the use of dynamics-based comparison methods that employ such coarse-grained models in a representative set of clan members, allowing for its quantitative description in terms of structural and dynamical variability. Although members show structural similarity, they nonetheless present distinct dynamical profiles, with no apparent correlation between structural and dynamical relatedness. However, previously unnoticed dynamical similarity was found between the relevant members Carboxypeptidase Pfu, Leishmanolysin, and Botulinum Neurotoxin Type A, despite sharing no structural similarity. Inspection of the respective alignments shows that dynamical similarity has a functional basis, namely the need for maintaining proper intermolecular interactions with the respective substrates. These results suggest that distinct selective pressure mechanisms act on metalloproteases at structural and dynamical levels through the course of their evolution. This work shows how new insights on metalloprotease function and evolution can be assessed with comparison schemes that incorporate information on protein dynamics. The integration of these newly developed tools, if applied to other protein families, can lead to more accurate and descriptive protein classification systems.

Anthocyanins and derivatives are more than flavylium cations - Pina, F; Oliveira, J.; de Freitas, V. (Tetrahedron, 2015)
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Times Cited: 7Pina, Fernando Oliveira, Joana de Freitas, Victor Pina, Fernando/C-8161-2011 Pina, Fernando/0000-0001-8529-6848; Oliveira, Joana/0000-0002-9996-1463; Freitas, Victor/0000-0003-0586-2278

Antitumor Activity of Ionic Liquids Based on Ampicillin - Ferraz, R.; Costa-Rodrigues, J.; Fernandes, M. H.; Santos, M. M.; Marrucho, I. M.; Rebelo, L. P. N.; Prudencio, C.; J. P. Noronha; Petrovski, Z.; Branco, L. C. (Chemmedchem, 2015)
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Times Cited: 5Ferraz, 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. ; Petrovski, Zeljko/D-7201-2013; Noronha, Joao Paulo/C-6423-2013; Branco, Luis/C-6426-2013; Santos, Miguel/Q-1975-2017 Marrucho, Isabel/0000-0002-8733-1958; Petrovski, Zeljko/0000-0002-8104-7008; Noronha, Joao Paulo/0000-0002-1515-4518; Ferraz, Ricardo/0000-0002-1761-117X; Branco, Luis/0000-0003-2520-1151; Santos, Miguel/0000-0001-8973-1595; Rebelo, Luis Paulo/0000-0002-5247-2443; Costa-Rodrigues, Joao/0000-0003-1375-8067; Fernandes, Maria Helena/0000-0001-9391-9574 1860-7187

Biocompatible locust bean gum mesoporous matrices prepared by ionic liquids and a scCO(2) sustainable system - Ventura, M. G.; Paninho, A. I.; A.V.M. Nunes; I. M. Fonseca; Branco, L. C. (Rsc Advances, 2015)
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Times Cited: 0Ventura, Marcia G. Paninho, Ana I. Nunes, Ana V. M. Fonseca, Isabel M. Branco, Luis C. Nunes, Ana/D-2045-2013; Fonseca, Isabel/D-2513-2013; Ventura, Marcia/C-6702-2013; Branco, Luis/C-6426-2013 Nunes, Ana/0000-0001-9928-1903; Fonseca, Isabel/0000-0001-7007-9525; Branco, Luis/0000-0003-2520-1151; Ventura, Marcia/0000-0003-2493-4900

Biological colonization and biodeterioration of architectural ceramic materials: An overview - Coutinho, M. L.; Miller, A.Z.; Macedo, MF (Journal of Cultural Heritage, 2015)
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Cited By :12Export Date: 5 June 2018

Characterization of a Novel Intrinsic Luminescent Room-Temperature Ionic Liquid Based on P-6,P-6,P-6,P-14 ANS - Delgado, J. M.; Raymundo, A.; Vilarigues, M.; Branco, L. C.; Laia, C. A. T. (Chemistry-a European Journal, 2015)
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Times Cited: 5Delgado, Joana M. Raymundo, Anabela Vilarigues, Marcia Branco, Luis C. Laia, Cesar A. T. Branco, Luis/C-6426-2013; Laia, Cesar/I-6280-2013; Raymundo, Anabela/M-9260-2013; Vilarigues, Marcia/K-8709-2015 Branco, Luis/0000-0003-2520-1151; Laia, Cesar/0000-0001-6410-6072; Raymundo, Anabela/0000-0001-5266-1685; Vilarigues, Marcia/0000-0003-4134-2819 1521-3765

Characterization of antiproliferative potential and biological targets of a copper compound containing 4'-phenyl terpyridine - Mendo, A. S.; Figueiredo, S.; Roma-Rodrigues, C.; Videira, P. A.; Ma, Z.; Diniz, M.; M. Larguinho; Costa, P. M.; J. C. Lima; Pombeiro, A. J. L.; P.V. Baptista; Fernandes, A. R. (Journal of Biological Inorganic Chemistry, 2015)
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Times Cited: 3Mendo, Ana Soraia Figueiredo, Sara Roma-Rodrigues, Catarina Videira, Paula A. Ma, Zhen Diniz, Mario Larguinho, Miguel Costa, Pedro M. Lima, Joao C. Pombeiro, Armando J. L. Baptista, Pedro V. Fernandes, Alexandra R. ; Costa, Pedro/J-2962-2013; Diniz, Mario/C-7849-2013; Videira, Paula/A-5901-2013; Fernandes, Alexandra/C-7465-2011; Lima, Joao/F-3658-2010; Larguinho, Miguel/N-4375-2013; Baptista, Pedro/A-1237-2009 Pombeiro, Armando/0000-0001-8323-888X; Costa, Pedro/0000-0002-9072-3522; Diniz, Mario/0000-0003-1571-0366; Videira, Paula/0000-0001-5987-2485; Fernandes, Alexandra/0000-0003-2054-4438; Lima, Joao/0000-0003-0528-1967; Roma-Rodrigues, Catarina/0000-0002-8676-6562; Larguinho, Miguel/0000-0001-8492-8786; Baptista, Pedro/0000-0001-5255-7095 1432-1327

Characterization of Kinetic and Thermodynamic Parameters of Cyanidin-3-glucoside Methyl and Glucuronyl Metabolite Conjugates - Cruz, L.; Basilio, N.; Mateus, N.; Pina, F; de Freitas, V. (Journal of Physical Chemistry B, 2015)
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Times Cited: 9Cruz, Luis Basilio, Nuno Mateus, Nuno Pina, Fernando de Freitas, Victor Cruz, Luis/J-4413-2013; Basilio, Nuno/F-2389-2012; Pina, Fernando/C-8161-2011; Mateus, Nuno/F-3019-2013 Cruz, Luis/0000-0003-2226-0404; Basilio, Nuno/0000-0002-0121-3695; Pina, Fernando/0000-0001-8529-6848; Mateus, Nuno/0000-0002-9318-9732; Freitas, Victor/0000-0003-0586-2278

CO2 capture and reversible release using mono-saccharides and an organic superbase - Carrera, G. V. S. M.; Jordao, N.; Branco, L. C.; da Ponte, M. N. (Journal of Supercritical Fluids, 2015)
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Times Cited: 4Carrera, Goncalo V. S. M. Jordao, Noemi Branco, Luis C. da Ponte, Manuel Nunes 14th European Meeting on Supercritical Fluids May 18-21, 2014 Marseille, FRANCE Carrrera, Goncalo/C-7536-2013; da Ponte, Manuel/B-3620-2010; Branco, Luis/C-6426-2013; Jordao, Noemi/C-6742-2013 da Ponte, Manuel/0000-0003-4499-4521; Branco, Luis/0000-0003-2520-1151; Jordao, Noemi/0000-0001-9769-1976; Carrera, Goncalo/0000-0001-6978-3603 1872-8162

CO2 capture systems based on saccharides and organic superbases - Carrera, G. V. S. M.; Jordao, N.; Branco, L. C.; da Ponte, M. N. (Faraday Discussions, 2015)
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Times Cited: 9Carrera, G. V. S. M. Jordao, N. Branco, L. C. Nunes da Ponte, M. da Ponte, Manuel/B-3620-2010; Branco, Luis/C-6426-2013; Jordao, Noemi/C-6742-2013 da Ponte, Manuel/0000-0003-4499-4521; Branco, Luis/0000-0003-2520-1151; Jordao, Noemi/0000-0001-9769-1976; Carrera, Goncalo/0000-0001-6978-3603 1364-5498

A coumarin based gold(I)-alkynyl complex: a new class of supramolecular hydrogelators - Moro, A. J.; Rome, B.; Aguilo, E.; Arcau, J.; Puttreddy, R.; Rissanen, K.; J. C. Lima; Rodriguez, L (Organic & Biomolecular Chemistry, 2015)
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Times Cited: 10Moro, Artur J. Rome, Bertrand Aguilo, Elisabet Arcau, Julia Puttreddy, Rakesh Rissanen, Kari Lima, Joao Carlos Rodriguez, Laura Aguilo, Elisabet/M-2447-2014; Lima, Joao/F-3658-2010; Lima, Joao Carlos/K-2890-2014; Rodriguez, Laura/A-4169-2011; Moro, Artur/C-6689-2013; Puttreddy, Rakesh/L-3026-2017 Aguilo, Elisabet/0000-0002-7171-3812; Lima, Joao/0000-0003-0528-1967; Rodriguez, Laura/0000-0003-1289-1587; Moro, Artur/0000-0003-3285-4919; Puttreddy, Rakesh/0000-0002-2221-526X 1477-0539

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, 2015)
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Times Cited: 6Viciosa, M. T. Santos, G. Costa, A. Danede, F. Branco, L. C. Jordao, N. Correia, N. T. Dionisio, M. Dionisio, Madalena/D-1946-2013; Branco, Luis/C-6426-2013; Jordao, Noemi/C-6742-2013 Dionisio, Madalena/0000-0002-1487-0889; Branco, Luis/0000-0003-2520-1151; Jordao, Noemi/0000-0001-9769-1976; DANEDE, florence/0000-0001-5139-9187 1463-9084

Drifting in the oceans: Isarachnanthus nocturnus (Cnidaria, Ceriantharia, Arachnactidae), an anthozoan with an extended planktonic stage - Stampar, S. N.; Morandini, A. C.; Branco, L. C.; da Silveira, F. L.; Migotto, A. E. (Marine Biology, 2015)
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Times Cited: 2Stampar, Sergio N. Morandini, Andre C. Branco, Laura C. da Silveira, Fabio Lang Migotto, Alvaro E. Morandini, Andre/A-9892-2012; Migotto, Alvaro/D-3748-2011; IB/USP, Zoologia/G-1759-2017; Branco, Luis/C-6426-2013 Morandini, Andre/0000-0003-3747-8748; Migotto, Alvaro/0000-0003-3887-1947; Branco, Luis/0000-0003-2520-1151 1432-1793

Effect of water content on the acid-base equilibrium of cyanidin-3-glucoside - Coutinho, I. B.; Freitas, A.; Macanita, AL; J. C. Lima (Food Chemistry, 2015)
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Times Cited: 2Coutinho, Isabel B. Freitas, Adilson Macanita, Antonio L. Lima, J. C. Lima, Joao/F-3658-2010; Freitas, Adilson/H-7846-2012; Lima, Joao Carlos/K-2890-2014; Macanita, Antonio/H-9284-2012; Borges Coutinho, Isabel /I-3431-2017 Lima, Joao/0000-0003-0528-1967; Freitas, Adilson/0000-0002-6119-9602; Macanita, Antonio/0000-0003-0976-6654; Borges Coutinho, Isabel /0000-0001-5549-582X; Coutinho, Isabel/0000-0002-4198-9818 1873-7072

Electrochromic Devices Based on Disubstituted Oxo-Bipyridinium Ionic Liquids - Jordao, N.; Cruz, H.; Branco, A.; Pina, F; Branco, L. C. (Chempluschem, 2015)
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Times Cited: 7Jordao, Noemi Cruz, Hugo Branco, Aida Pina, Fernando Branco, Luis C. Jordao, Noemi/C-6742-2013; Branco, Luis/C-6426-2013; Pina, Fernando/C-8161-2011 Jordao, Noemi/0000-0001-9769-1976; Branco, Luis/0000-0003-2520-1151; Pina, Fernando/0000-0001-8529-6848

Estimating the Colors of Paintings - Nascimento, S. M. C.; Linhares, J. M. M.; Joao, C. A. R.; Amano, K.; Montagner, C.; Melo, MJ; Vilarigues, M. (Computational Color Imaging, Cciw 2015, 2015)
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Times Cited: 1Nascimento, Sergio M. C. Linhares, Joao M. M. Joao, Catarina A. R. Amano, Kinjiro Montagner, Cristina Melo, Maria J. Vilarigues, Marcia 5th International Computational Color Imaging Workshop (CCIW) Mar 24-26, 2015 Saint Etienne, FRANCE Linhares, Joao/M-7020-2013; Amano, Kinjiro/A-8263-2011; Melo, Maria Joao/C-8594-2011; Vilarigues, Marcia/K-8709-2015 Linhares, Joao/0000-0001-9197-5134; Amano, Kinjiro/0000-0001-7992-9418; Melo, Maria Joao/0000-0001-7393-6801; Vilarigues, Marcia/0000-0003-4134-2819; Montagner, Cristina/0000-0003-4381-1244 0302-9743

Excited-State Proton Transfer in Confined Medium. 4-Methy1-7-hydroxyflavylium and beta-Naphthol Incorporated in Cucurbit 7 uril - Basilio, N.; Laia, C. A. T.; Pina, F (Journal of Physical Chemistry B, 2015)
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Times Cited: 15Basilio, Nuno Laia, Cesar A. T. Pina, Fernando Basilio, Nuno/F-2389-2012; Laia, Cesar/I-6280-2013; Pina, Fernando/C-8161-2011 Basilio, Nuno/0000-0002-0121-3695; Laia, Cesar/0000-0001-6410-6072; Pina, Fernando/0000-0001-8529-6848

Exploring the charged nature of supramolecular micelles based on p-sulfonatocalix 6 arene and dodecyltrimethylammonium bromide - Basilio, N.; Spudeit, D. A.; Bastos, J.; Scorsin, L.; Fiedler, H. D.; Nome, F.; Garcia-Rio, L. (Physical Chemistry Chemical Physics, 2015)
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Times Cited: 1Basilio, Nuno Spudeit, Daniel Alfonso Bastos, Juliana Scorsin, Leandro Fiedler, Haidi D. Nome, Faruk Garcia-Rio, Luis Basilio, Nuno/F-2389-2012; Garcia-Rio, Luis/L-5882-2014 Basilio, Nuno/0000-0002-0121-3695; Garcia-Rio, Luis/0000-0003-2802-8921 1463-9084

Flavylium based dual photochromism: addressing cis-trans isomerization and ring opening-closure by different light inputs - Gago, S.; Basilio, N.; Moro, A. J.; Pina, F (Chemical Communications, 2015)
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Times Cited: 5Gago, Sandra Basilio, Nuno Moro, Artur J. Pina, Fernando Moro, Artur/C-6689-2013; Basilio, Nuno/F-2389-2012; Gago, Sandra/H-5413-2012; Pina, Fernando/C-8161-2011 Moro, Artur/0000-0003-3285-4919; Basilio, Nuno/0000-0002-0121-3695; Gago, Sandra/0000-0003-0221-8508; Pina, Fernando/0000-0001-8529-6848 1364-548x

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, 2015)
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Times Cited: 4Fernandez-Rosas, J. Pessego, M. Cepeda-Plaza, M. Basilio, N. Parajo, M. Rodriguez-Dafonte, P. Garcia-Rio, L. CIQA, CIQA/N-6549-2013; Basilio, Nuno/F-2389-2012; Garcia-Rio, Luis/L-5882-2014; Pessego, Marcia/E-1790-2012; Rodriguez-Dafonte, Pedro/I-6241-2016 Basilio, Nuno/0000-0002-0121-3695; Garcia-Rio, Luis/0000-0003-2802-8921; Pessego, Marcia/0000-0001-7292-0568; Rodriguez-Dafonte, Pedro/0000-0001-6508-0388 1477-0539

Host-Guest Complexes of Flavylium Cations and Cucurbit 7 uril: The Influence of Flavylium Substituents on the Structure and Stability of the Complex - Basilio, N.; Petrov, V.; Pina, F (Chempluschem, 2015)
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Times Cited: 8Basilio, Nuno Petrov, Vesselin Pina, Fernando Pina, Fernando/C-8161-2011; Basilio, Nuno/F-2389-2012 Pina, Fernando/0000-0001-8529-6848; Basilio, Nuno/0000-0002-0121-3695; Petrov, Vesselin/0000-0003-4503-4602

Light activated molecular machines and logic gates: general discussion - Bassani, D. M.; Cucinotta, F.; Bohne, C.; Basilio, N.; Lemon, C.; Allain, C.; Sundstrom, V.; Campagna, S.; Rohacova, J.; Ketteler, Y.; Ryan, S. T. J.; Vos, J.; et al. (Faraday Discussions, 2015)
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Times Cited: 0Bassani, 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 de Silva, Amilra Prasanna Slota, Michael Basilio, Nuno/F-2389-2012 Basilio, Nuno/0000-0002-0121-3695 1364-5498

A new dual driver planar eddy current probe with dynamically controlled induction pattern - Rosado, L.S.; Santos, T.G.; Ramos, P.M.; Vilaça, P.; Piedade, M. (NDT and E International, 2015)
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Export Date: 27 February 2015CODEN: NDTIE

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, 2015)
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Times Cited: 6Vitorino, T. Casini, A. Cucci, C. Melo, M. J. Picollo, M. Stefani, L. Melo, Maria Joao/C-8594-2011 Melo, Maria Joao/0000-0001-7393-6801; Cucci, Costanza/0000-0001-8534-7465; Picollo, Marcello/0000-0003-1012-6048 1432-0630

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, 2015)
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Times Cited: 12Tiago, G. Restolho, J. Forte, A. Colaco, R. Branco, L. C. Saramago, B. Restolho, Jose/B-6330-2013; Colaco, Rogerio/B-5432-2013; Branco, Luis/C-6426-2013; Forte, Andreia/L-2025-2014; Tiago, Goncalo/P-3097-2016; Saramago, Benilde/A-4882-2012 Restolho, Jose/0000-0002-2033-6746; Colaco, Rogerio/0000-0001-7374-6741; Branco, Luis/0000-0003-2520-1151; Forte, Andreia/0000-0002-4477-8530; Tiago, Goncalo/0000-0002-4742-7840; Saramago, Benilde/0000-0002-8968-4781 1873-4359

Origin of the Metastable Stability in Flavylium Multistate Systems - Petrov, V.; Slavcheva, S.; Stanimirov, S.; Pina, F (Journal of Physical Chemistry A, 2015)
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Times Cited: 4Petrov, Vesselin Slavcheva, Stoyanka Stanimirov, Stanislav Pina, Fernando Pina, Fernando/C-8161-2011 Pina, Fernando/0000-0001-8529-6848; Petrov, Vesselin/0000-0003-4503-4602; Stanimirov, Stanislav/0000-0001-7891-832X

Photochemistry of the hemiketal form of anthocyanins and its potential role in plant protection from UV-B radiation - Costa, D.; Galvao, A. M.; Di Paolo, R. E.; Freitas, AA; J. C. Lima; Quina, FH; Macanita, AL (Tetrahedron, 2015)
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Times Cited: 11Costa, Damien Galvao, Adelino M. Di Paolo, Roberto E. Freitas, Adilson A. Lima, Joao C. Quina, Frank H. Macanita, Antonio L. Lima, Joao/F-3658-2010; Galvao, Adelino/H-7730-2012; Freitas, Adilson/H-7846-2012; Institute of Chemistry - USP, Dept. of Chemistry/B-8988-2012; Lima, Joao Carlos/K-2890-2014; Macanita, Antonio/H-9284-2012; Di Paolo, Roberto/H-8257-2012; Quina, Frank/H-2255-2012 Lima, Joao/0000-0003-0528-1967; Galvao, Adelino/0000-0002-4740-0613; Freitas, Adilson/0000-0002-6119-9602; Macanita, Antonio/0000-0003-0976-6654; Di Paolo, Roberto/0000-0001-9180-2225; Quina, Frank/0000-0003-2981-3390

Photorheological Ionic Liquids - Avo, J.; Cidade, M.T.; Rodriguez, V.; J. C. Lima; A. J. Parola (Journal of Physical Chemistry B, 2015)
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Times Cited: 1Avo, Joao Cidade, M. T. Rodriguez, Vincent Lima, Joao C. Jorge Parola, A. Lima, Joao Carlos/K-2890-2014; Lima, Joao/F-3658-2010; Avo, Joao/C-6939-2013; Cidade, Maria Teresa/H-7462-2013; Parola, A. Jorge/F-4048-2010 Lima, Joao/0000-0003-0528-1967; Avo, Joao/0000-0002-3380-748X; Cidade, Maria Teresa/0000-0001-8261-6754; Parola, A. Jorge/0000-0002-1333-9076; Rodriguez, Vincent/0000-0001-6804-9757

The preferred chromatic composition of unfamiliar paintings is similar to original - Nascimento, S. M. C.; Linhares, J. M. M.; Joao, C. A. R.; Amano, K.; Montagner, C.; Melo, MJ; Vilarigues, M.; de Freitas, M. H.; Alfaro, C.; Bailao, A. (Perception, 2015)
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Times Cited: 0Nascimento, 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 Linhares, Joao/M-7020-2013; Melo, Maria Joao/C-8594-2011 Linhares, Joao/0000-0001-9197-5134; Melo, Maria Joao/0000-0001-7393-6801 1468-4233

Recognition of bio-relevant dicarboxylate anions by an azacalix 2 arene 2 triazine derivative decorated with urea moieties - Santos, M. M.; Marques, I.; Carvalho, S.; Moiteiro, C.; Felix, V. (Organic & Biomolecular Chemistry, 2015)
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Times Cited: 4Santos, Miguel M. Marques, Igor Carvalho, Silvia Moiteiro, Cristina Felix, Vitor Moiteiro, Cristina/E-6770-2012; Carvalho, Silvia/M-8083-2016; Marques, Igor/B-6914-2012; Santos, Miguel/Q-1975-2017 Moiteiro, Cristina/0000-0002-9276-6788; Carvalho, Silvia/0000-0002-1707-8854; Marques, Igor/0000-0003-4971-9932; Santos, Miguel/0000-0001-8973-1595; Felix, Vitor/0000-0001-9380-0418 1477-0539

Reversible systems based on CO2, amino-acids and organic superbases - Carrera, G. V. S. M.; Jordao, N.; Santos, M. M.; da Ponte, M. N.; Branco, L. C. (Rsc Advances, 2015)
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Times Cited: 6Carrera, Goncalo V. S. M. Jordao, Noemi Santos, Miguel M. da Ponte, Manuel Nunes Branco, Luis C. ; Branco, Luis/C-6426-2013; Carrrera, Goncalo/C-7536-2013; da Ponte, Manuel/B-3620-2010; Santos, Miguel/Q-1975-2017; Jordao, Noemi/C-6742-2013 Carrera, Goncalo/0000-0001-6978-3603; Branco, Luis/0000-0003-2520-1151; da Ponte, Manuel/0000-0003-4499-4521; Santos, Miguel/0000-0001-8973-1595; Jordao, Noemi/0000-0001-9769-1976

Self-organization of photo-active nanostructures: general discussion - Pikramenou, Z.; Weinstein, J.; Pan, Q.; Lewis, F.; Bassani, D. M.; Wurthner, F.; Moucheron, C.; Slota, M.; Diaz-Moscoso, A.; Karlsson, J.; Basilio, N.; Adams, D.; et al. (Faraday Discussions, 2015)
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Times Cited: 2Pikramenou, 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 Scandola, Franco Bohne, Cornelia Lemon, Christopher Campagna, Sebastiano Rohacova, Jana Ohashi, Kenji Ploetz, Per-Arno Monti, Filippo Kelly, John M. Keane, Paraic Gibson, Elizabeth Lemercier, Gilles Ruggi, Albert Cucinotta, Fabio Gust, Devens Bradberry, Samuel Vos, Johannes Pistolis, George Mauro, Matteo Tuite, Eimer De Cola, Luisa Ceroni, Paola Maneiro, Marcelino Galoppini, Elena Gunnlaugsson, Thorfinnur ; Ceroni, Paola/C-7459-2012; Monti, Filippo/D-2194-2012; Maneiro, Marcelino/A-7941-2011; Diaz-Moscoso, Alejandro/F-6779-2014; Basilio, Nuno/F-2389-2012 Wurthner, Frank/0000-0001-7245-0471; Gunnlaugsson, Thorfinnur/0000-0003-4814-6853; Ceroni, Paola/0000-0001-8916-1473; Monti, Filippo/0000-0002-9806-1957; Bradberry, Samuel/0000-0003-3171-4703; Maneiro, Marcelino/0000-0003-1258-3517; Diaz-Moscoso, Alejandro/0000-0001-8750-6415; De Cola, Luisa/0000-0002-2152-6517; Basilio, Nuno/0000-0002-0121-3695; Plotz, Per-Arno/0000-0002-7213-4046 1364-5498

Spatiotemporal control over the co-conformational switching in pH-responsive flavylium-based multistate pseudorotaxanes - Diniz, A. M.; Basilio, N.; Cruz, H.; Pina, F; A. J. Parola (Faraday Discussions, 2015)
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Times Cited: 1Diniz, Ana Marta Basilio, Nuno Cruz, Hugo Pina, Fernando Parola, A. Jorge Pina, Fernando/C-8161-2011; Parola, A. Jorge/F-4048-2010; Basilio, Nuno/F-2389-2012 Pina, Fernando/0000-0001-8529-6848; Parola, A. Jorge/0000-0002-1333-9076; Basilio, Nuno/0000-0002-0121-3695 1364-5498

Structural and mechanistic insights on nitrate reductases - Coelho, C.; Romao, M. J. (Protein Science, 2015)
Nitrate reductases (NR) belong to the DMSO reductase family of Mo-containing enzymes and perform key roles in the metabolism of the nitrogen cycle, reducing nitrate to nitrite. Due to variable cell location, structure and function, they have been divided into periplasmic (Nap), cytoplasmic, and membrane-bound (Nar) nitrate reductases. The first crystal structure obtained for a NR was that of the monomeric NapA from Desulfovibrio desulfuricans in 1999. Since then several new crystal structures were solved providing novel insights that led to the revision of the commonly accepted reaction mechanism for periplasmic nitrate reductases. The two crystal structures available for the NarGHI protein are from the same organism (Escherichia coli) and the combination with electrochemical and spectroscopic studies also lead to the proposal of a reaction mechanism for this group of enzymes. Here we present an overview on the current advances in structural and functional aspects of bacterial nitrate reductases, focusing on the mechanistic implications drawn from the crystallographic data.
ISI Document Delivery No.: DB1TNCoelho, Catarina Romao, Maria Joao Life Sciences (LS) Wiley-blackwell Hoboken
Keywords: Biochemistry & Molecular Biology; Biophysics; dehydrogenase, molybdenum enzymes, haemophilus-influenzae, catalytic; diheme cytochrome-c, crystal-structure, escherichia-coli, formate; enzymatic mechanism; marinobacter-hydrocarbonoclasticus 617, dimethyl-sulfoxide reductase,; mechanism, angstrom resolution; molybdenum enzymes, nitrogen cycle, DMSO reductase family, periplasmic; nitrate reductase, membrane-bound nitrate reductase, crystal structure,

Structural insights into xenobiotic and inhibitor binding to human aldehyde oxidase - Coelho, C.; Foti, A.; Hartmann, T.; Santos-Silva, T.; Leimk; Rom (Nat Chem Biol, 2015)
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Structures and Properties of Luminescent Pentanitratoeuropate(III) Ionic Liquids - Zhao, Y.; He, L.; Tang, N.; Qin, S.; Tao, G. H.; Liang, F. X. (European Journal of Inorganic Chemistry, 2015)
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Times Cited: 6Zhao, Ying He, Ling Tang, Ning Qin, Song Tao, Guo-Hong Liang, Fu-Xin Santos, Miguel/Q-1975-2017 Santos, Miguel/0000-0001-8973-1595 1099-0682

Switchable electrochromic devices based on disubstituted bipyridinium derivatives - Jordao, N.; Cruz, H.; Branco, A.; Pinheiro, C; Pina, F; Branco, L. C. (Rsc Advances, 2015)
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Times Cited: 5Jordao, Noemi Cruz, Hugo Branco, Aida Pinheiro, Carlos Pina, Fernando Branco, Luis C. Jordao, Noemi/C-6742-2013; Branco, Luis/C-6426-2013; Pina, Fernando/C-8161-2011 Jordao, Noemi/0000-0001-9769-1976; Branco, Luis/0000-0003-2520-1151; Pina, Fernando/0000-0001-8529-6848

Thermodynamic Aspects of Aurophilic Hydrogelators - Gavara, R.; Aguilo, E.; Guerra, C. F.; Rodriguez, L; J. C. Lima (Inorganic Chemistry, 2015)
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Times Cited: 7Gavara, Raquel Aguilo, Elisabet Guerra, Celia Fonseca Rodriguez, Laura Lima, Joao Carlos Gavara, Rafael/H-4096-2012; Lima, Joao Carlos/K-2890-2014; Lima, Joao/F-3658-2010; Rodriguez, Laura/A-4169-2011; Gavara, Raquel/C-6669-2013; Fonseca Guerra, Celia/E-8851-2011 Gavara, Rafael/0000-0001-6376-8939; Lima, Joao/0000-0003-0528-1967; Rodriguez, Laura/0000-0003-1289-1587; Gavara, Raquel/0000-0002-7198-9392; Aguilo, Elisabet/0000-0002-7171-3812 1520-510x

Tuning the Surface Chemistry of Nanoporous Carbons for Enhanced Nanoconfined Photochemical Activity - Velasco, L. F.; Gomis-Berenguer, A.; J. C. Lima; Ania, C. O. (Chemcatchem, 2015)
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Times Cited: 5Velasco, Leticia F. Gomis-Berenguer, Alicia Lima, Joao C. Ania, Conchi O. Lima, Joao/F-3658-2010; Velasco, Leticia/C-3882-2017 Lima, Joao/0000-0003-0528-1967; Velasco, Leticia/0000-0003-2456-7135; Gomis-Berenguer, Alicia/0000-0002-5893-1508 1867-3899

Trade- offs between climate change adaptation and mitigation strategies for resilient cities: the case of thermal comfort in households under the ClimAdapt.Local project - Gregório, V.; Simões, S.; Seixas, J. (World Symposium on Climate Change Adaption, 2015)

Understanding electricity consumption patterns in households through data fusion of smart meters and door-to-door surveys - Gouveia, J. P.; Seixas, J.; Shiming, L.; Bilo, N.; Valentim, A. (eceee 2015 Summer Study on energy efficiency, 2015)

Assessing critical metal needs for a low carbon energy system in 2050 - Simoes, S.; Fortes, P.; Dias, L.; Seixas, J. (EEM15. 12th International Conference on the European Energy Market, 2015)

Energy systems and the planetary boundaries: extending the capabilities of energy systems models - Seixas, J. (EEM15. 12the International Conference on the European Energy Market, 2015)

How renewable energy promotion impacts the Portuguese economy? - Fortes, P.; Proença, S.; Seixas, J. (EEM15. 12the International Conference on the European Energy Market, 2015)

Looking Deeper into Residential Electricity Consumption Profiles: The Case of Évora - Gouveia, J. P.; Seixas, J.; Mendes, L.; Shiming, L. (EEM15. 12th International Conference on the European Energy market, 2015)

Are hybrid models well equipped to assess resilience to external shocks? The case of energy and climate. - Seixas, J. (INFER Workshop on Modelling Economic Resilience to External Shocks, 2015)

Criteria Framework for the Conception of an Adaptive Housing Model for Sub-Saharan Region - Ramalhete, Inês; Amado, Miguel P.; Farias, Hugo (Architecture_MPS, ISBN 978-1-907471-69-3, 2015)

Parametric Elements to Modular Social Housing - Amado, Miguel P.; Ramalhete, Inês (Architecture_MPS 2015 - ISBN 978-1-907471-69-3, 2015)

A novel mutation in the CEBPA gene in a patient with acute myeloid leukemia - Raquel Vinhas; Anna Tolmatcheva; Rafaela Canto; Patricia Ribeiro; Alexandra Lourenço; Aida Botelho de Sousa; Pedro V. Baptista; Alexandra R. Fernandes (Leukimia Lymphoma, 2015)

Characterization of antiproliferative potential and biological targets of a copper complex containing 4’-phenyl terpyridine - Ana Soraia Mendo; Sara Figueiredo; Catarina Roma-Rodrigues; Paula A. Videira; Zhen Ma; Mário Diniz; Miguel Larguinho; Costa, Pedro M.; Armando J. L. Pombeiro; Pedro V. Baptista; Alexandra R. Fernandes (JBIC, 2015)
Several copper complexes have been assessed as anti-tumor agents against cancer cells. In this work, a copper compound [Cu(H2O){OS(CH3)2}L](NO3)2 incorporating the ligand 4′-phenyl-terpyridine antiproliferative activity against human colorectal, hepatocellular carcinomas and breast adenocarcinoma cell lines was determined, demonstrating high cytotoxicity. The compound is able to induce apoptosis and a slight delay in cancer cell cycle progression, probably by its interaction with DNA and induction of double-strand pDNA cleavage, which is enhanced by oxidative mechanisms. Moreover, proteomic studies indicate that the compound induces alterations in proteins involved in cytoskeleton maintenance, cell cycle progression and apoptosis, corroborating its antiproliferative potential.

About the attraction of machine logic. The field of elderly care. - Bettina-Johanna Krings; Nierling, Linda (he next horizon of technology assessment, 2015)

Affinity analysis and application of dipeptides derived from l-tyrosine in plasmid purification - Ferreira, S.; Carvalho, J.; Valente, J. F.; Corvo, Mc; E. J. Cabrita; Sousa, F.; Queiroz, J. A.; C. Cruz (J Chromatogr B Analyt Technol Biomed Life Sci, 2015)
The developments in the use of plasmid DNA (pDNA) in gene therapy and vaccines have motivated the search and improvement of optimized purification processes. In this context, dipeptides l-tyrosine-l-tyrosine and l-tyrosine-l-arginine are synthetized to explore their application as affinity ligands for supercoiled (sc) plasmid DNA (pDNA) purification. The synthesis is based on the protection of N-Boc-l-tyrosine, followed by condensation with l-tyrosine or l-arginine methyl esters in the presence of dicyclohexylcarbodiimide (DCC), which after hydrolysis and acidification give the afforded dipeptides. The supports are then obtained by coupling l-tyrosine, l-tyrosine-l-tyrosine and l-tyrosine-l-arginine to epoxy-activated Sepharose and are characterized by high resolution magic angle spinning (HR-MAS) NMR and Fourier transform infrared spectroscopy (FTIR). Surface plasmon resonance (SPR) biosensor is used to establish the promising ligand to be used in the chromatographic experiments and ascertain experimental conditions. Sc isoform showed the highest affinity to the dipeptides, followed by linear (ln) pDNA, being the open circular (oc) the one that promoted the lowest affinity to l-tyrosine-l-arginine. Saturation transfer difference (STD)-NMR experiments show that the interaction is mainly hydrophobic with the majority of the 5'-mononucleotides, except for 5'-GMP with l-tyrosine-l-arginine Sepharose that is mainly electrostatic. The support l-tyrosine Sepharose used in chromatographic experiments promotes the separation of native pVAX1-LacZ and pcDNA3-FLAG-p53 samples (oc+sc) by decreasing the salt concentration. The results suggest that it is possible to purify different plasmids with the l-tyrosine Sepharose, with slight adjustments in the gradient conditions.
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Keywords: Chromatography Nuclear magnetic resonance Plasmid DNA Surface plasmon resonance l-tyrosine dipeptides

Anthocyanins and derivatives are more than flavylium cations - Pina, Fernando; Oliveira, Joana; de Freitas, Victor (Tetrahedron, 2015)
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Pina, Fernando/C-8161-2011; Pina, Fernando/0000-0001-8529-6848; Oliveira, Joana/0000-0002-9996-1463 0

Antimicrobial electrospun silver-, copper- and zinc-doped polyvinylpyrrolidone nanofibers - Jennifer Quirós; Borges, João Paulo; Karina Boltes; Ismael Rodea-Palomares; Roberto Rosal (Journal of Hazardous Materials, 2015)
The use of electrospun polyvinylpyrrolidone (PVP) nanofibers containing silver, copper, and zinc nanoparticles was studied to prepare antimicrobial mats using silver and copper nitrates and zinc acetate as precursors. Silver became reduced during electrospinning and formed nanoparticles of several tens of nanometers. Silver nanoparticles and the insoluble forms of copper and zinc were dispersed using low molecular weight PVP as capping agent. High molecular weight PVP formed uniform fibers with a narrow distribution of diameters around 500 nm. The fibers were converted into an insoluble network using ultraviolet irradiation crosslinking. The efficiency of metal-loaded mats against the bacteria Escherichia coli and Staphylococcus aureus was tested for different metal loadings by measuring the inhibition of colony forming units and the staining with fluorescent probes for metabolic viability and compromised membranes. The assays included the culture in contact with mats and the direct staining of surface attached microorganisms. The results indicated a strong inhibition for silver-loaded fibers and the absence of significant amounts of viable but non-culturable microorganisms. Copper and zinc-loaded mats also decreased the metabolic activity and cell viability, although in a lesser extent. Metal-loaded fibers allowed the slow release of the soluble forms of the three metals.

Aromatic aldehydes at the active site of aldehyde oxidoreductase from Desulfovibrio gigas: reactivity and molecular details of the enzyme-substrate and enzyme-product interaction - Correia, H.; Marangon, J.; Brondino, C. D.; Moura, J. J. G.; Romao, M. J.; Gonzalez, P. J.; Santos-Silva, T. (J Biol Inorg Chem, 2015)

Assessing the cost-effectiveness of electric vehicles in European countries using integrated modeling - Júlia Seixas; Simões, Sofia; Dias, Luis; Amit Kanudia; Patrícia Fortes; Gargiulo, Maurizio (Energy Policy, 2015)
Electric vehicles (EVs) are considered alternatives to internal combustion engines due to their energy efficiency and contribution to CO2 mitigation. The adoption of EVs depends on consumer preferences, including cost, social status and driving habits, although it is agreed that current and expected costs play a major role. We use a partial equilibrium model that minimizes total energy system costs to assess whether EVs can be a cost-effective option for the consumers of each EU27 member state up to 2050, focusing on the impact of different vehicle investment costs and CO2 mitigation targets. We found that for an EU-wide greenhouse gas emission reduction cap of 40% and 70% by 2050 vis-à-vis 1990 emissions, battery electric vehicles (BEVs) are cost-effective in the EU only by 2030 and only if their costs are 30% lower than currently expected. At the EU level, vehicle costs and the capability to deliver both short- and long-distance mobility are the main drivers of BEV deployment. Other drivers include each state’s national mobility patterns and the cost-effectiveness of alternative mitigation options, both in the transport sector, such as plug-in hybrid electric vehicles (PHEVs) or biofuels, and in other sectors, such as renewable electricity.

Backbone, side chain and heme resonance assignments of cytochrome OmcF from Geobacter sulfurreducens - Dantas, J.M.; Silva e Sousa, M; Salgueiro, C.A.; Bruix, M. (Biomolecular NMR Assignments, 2015)
Gene knockout studies on Geobacter sulfurreducens (Gs) cells showed that the outer membrane cytochrome OmcF is involved in respiratory pathways leading to the extracellular reduction of Fe(III) citrate and U(VI) oxide. In addition, microarray analysis of OmcF-deficient mutant versus the wild-type strain revealed that many of the genes with decreased transcript level were those whose expression is upregulated in cells grown with a graphite electrode as electron acceptor. This suggests that OmcF also regulates the electron transfer to electrode surfaces and the concomitant electrical current production by Gs in microbial fuel cells. Extracellular electron transfer processes (EET) constitute nowadays the foundations to develop biotechnological applications in biofuel production, bioremediation and bioenergy. Therefore, the structural characterization of OmcF is a fundamental step to understand the mechanisms underlying EET. Here, we report the complete assignment of the heme proton signals together with (1)H, (13)C and (15)N backbone and side chain assignments of the OmcF, excluding the hydrophobic residues of the N-terminal predicted lipid anchor.

Backbone, side chain and heme resonance assignments of the triheme cytochrome PpcD from Geobacter sulfurreducens - Dantas, J.M.; Salgueiro, C.A.; Bruix, M. (Biomol NMR Assign, 2015)
Gene knock-out studies on Geobacter sulfurreducens (Gs) cells showed that the periplasmic triheme cytochrome PpcD is involved in respiratory pathways leading to the extracellular reduction of Fe(III) and U(VI) oxides. More recently, it was also shown that the gene encoding for PpcD has higher transcript abundance when Gs cells utilize graphite electrodes as sole electron donors to reduce fumarate. This sets PpcD as the first multiheme cytochrome to be involved in Gs respiratory pathways that bridge the electron transfer between the cytoplasm and cell exterior in both directions. Nowadays, extracellular electron transfer (EET) processes are explored for several biotechnological applications, which include bioremediation, bioenergy and biofuel production. Therefore, the structural characterization of PpcD is a fundamental step to understand the mechanisms underlying EET. However, compared to non-heme proteins, the presence of numerous proton-containing groups in the redox centers presents additional challenges for protein signal assignment and structure calculation. Here, we report the complete assignment of the heme proton signals together with 1H, 13C and 15N backbone and side chain assignments of the reduced form of PpcD.

Biobased Monoliths for Adenovirus Purification - Cláudia S M Fernandes; Gonçalves, Bianca; Sousa, Margarida; Martins, Duarte L.; Barroso, Telma; Pina, Ana Sofia; Peixoto, Cristina; Aguiar-Ricardo, Ana; Roque, Ana C A (ACS Applied Materials & Interfaces, 2015)
Adenoviruses are important platforms for vaccine development and vectors for gene therapy, increasing the demand for high titers of purified viral preparations. Monoliths are macroporous supports regarded as ideal for the purification of macromolecular complexes, including viral particles. Although common monoliths are based on synthetic polymers as methacrylates, we explored the potential of biopolymers processed by clean technologies to produce monoliths for adenovirus purification. Such an approach enables the development of disposable and biodegradable matrices for bioprocessing. A total of 20 monoliths were produced from different biopolymers (chitosan, agarose, and dextran), employing two distinct temperatures during the freezing process (−20 °C and −80 °C). The morphological and physical properties of the structures were thoroughly characterized. The monoliths presenting higher robustness and permeability rates were further analyzed for the nonspecific binding of Adenovirus serotype 5 (Ad5) preparations. The matrices presenting lower nonspecific Ad5 binding were further functionalized with quaternary amine anion-exchange ligand glycidyltrimethylammonium chloride hydrochloride by two distinct methods, and their performance toward Ad5 purification was assessed. The monolith composed of chitosan and poly(vinyl) alcohol (50:50) prepared at −80 °C allowed 100% recovery of Ad5 particles bound to the support. This is the first report of the successful purification of adenovirus using monoliths obtained from biopolymers processed by clean technologies.
PMID: 25756920

Biological colonization on majolica glazed tiles: biodeterioration, bioreceptivity and mitigation strategies - Mathilda Amélia Gonçalves Larsson Dias Coutinho (Departamento de Conservação e Restauro, FCT-NOVA, 2015)

Broadband light trapping in thin film solar cells with self-organized plasmonic nano-colloids - M. J. Mendes; S. Morawiec; T. Mateus; A. Lyubchyk; Águas, H.; Ferreira, I.; E. Fortunato; R. Martins; F. Priolo; I. Crupi (Nanotechnology, 2015)
The intense light scattered from metal nanoparticles sustaining surface plasmons makes them attractive for light trapping in photovoltaic applications. However, a strong resonant response from nanoparticle ensembles can only be obtained if the particles have monodisperse physical properties. Presently, the chemical synthesis of colloidal nanoparticles is the method that produces the highest monodispersion in geometry and material quality, with the added benefits of being low-temperature, low-cost, easily scalable and of allowing control of the surface coverage of the deposited particles. In this paper, novel plasmonic back-reflector structures were developed using spherical gold colloids with appropriate dimensions for pronounced far-field scattering. The plasmonic back reflectors are incorporated in the rear contact of thin film n-i-p nanocrystalline silicon solar cells to boost their photocurrent generation via optical path length enhancement inside the silicon layer. The quantum efficiency spectra of the devices revealed a remarkable broadband enhancement, resulting from both light scattering from the metal nanoparticles and improved light incoupling caused by the hemispherical corrugations at the cells' front surface formed from the deposition of material over the spherically shaped colloids.

Carbon Nanotubes as Reinforcement of Cellulose Liquid Crystalline Responsive Networks - Echeverria, C.; Aguirre, L. E.; E. G. Merino; P. L. Almeida; M. H. Godinho (ACS Appl Mater Interfaces, 2015)
The incorporation of small amount of highly anisotropic nanoparticles into liquid crystalline hydroxypropylcellulose (LC-HPC) matrix improves its response when is exposed to humidity gradients due to an anisotropic increment of order in the structure. Dispersed nanoparticles give rise to faster order/disorder transitions when exposed to moisture as it is qualitatively observed and quantified by stress-time measurements. The presence of carbon nanotubes derives in a improvement of the mechanical properties of LC-HPC thin films.
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Keywords: actuator carbon nanotubes cellulose derivative humidity-responsive polymer liquid crystal soft motor

Cell shape dynamics during the staphylococci cell cycle - J. M. Monteiro; P. B. Fernandes; F. Vaz; A. R. Pereira; A. C. Tavares; M. T. Ferreira; P. M. Pereira; H. Veiga; E. Kuru; M. VanNieuwenhze; Y. V. Brun; S. R. Filipe; et al. (Nat. Commun, 2015)

A cellulosic liquid crystal pool for cellulose nanocrystals: Structure and molecular dynamics at high shear rates - Echeverria, C.; P. L. Almeida; Feio, G.; J. L. Figueirinhas; M. H. Godinho (European Polymer Journal, 2015)
Cellulose and its derivatives, such as hydroxypropylcellulose (HPC) have been studied for a long time but they are still not well understood particularly in liquid crystalline solutions. These systems can be at the origin of networks with properties similar to liquid crystalline (LC) elastomers. The films produced from LC solutions can be manipulated by the action of moisture allowing for instance the development of a soft motor (Geng et al., 2013) driven by humidity. Cellulose nanocrystals (CNC), which combine cellulose properties with the specific characteristics of nanoscale materials, have been mainly studied for their potential as a reinforcing agent. Suspensions of CNC can also self-order originating a liquid-crystalline chiral nematic phases. Considering the liquid crystalline features that both LC-HPC and CNC can acquire, we prepared LC-HPC/CNC solutions with different CNC contents (1,2 and 5 wt.%). The effect of the CNC into the LC-HPC matrix was determined by coupling rheology and NMR spectroscopy - Rheo-NMR a technique tailored to analyse orientational order in sheared systems. (C) 2015 Elsevier Ltd. All rights reserved.
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Keywords: cellulose liquid crystal cellulose nanocrystals rheo-nmr rheology aqueous (hydroxypropyl)cellulose polymer nanocomposites rheo-nmr hydroxypropylcellulose water fibers composites system films

Changes in metabolic pathways of Desulfovibrio alaskensis G20 cells induced by molybdate excess - Nair, R.R.; Silveira, C. M.; Diniz, M. S.; Almeida, M. G.; Moura, J. J. G.; Rivas, M. G. (J Biol Inorg Chem, 2015)

Characterization and optimization of the haemozoin-like crystal (HLC) assay to determine Hz inhibiting effects of anti-malarial - Carolina Tempera; Ricardo Franco; Caro, Carlos; Vânia André; Peter Eaton; Peter Burke; Thomas Hänscheid (Malaria Journal, 2015)

Chitin-Based Nanocomposites: Biomedical Applications - João, Carlos; Silva, Jorge Carvalho; Borges, João Paulo (Eco-friendly Polymer Nanocomposites, 2015)
Chitin, the second most abundant polymer in nature, is a renewable, nontoxic, biodegradable, and antibacterial polysaccharide. This semicrystalline biopolymer exhibits hierarchical structure from nano to micro-scale and is responsible for interesting living tissue properties. Recently, the scientific interest in chitin nanofibrils for applications in biomedical and tissue engineering fields has increased due to their particular capabilities such as matrix reinforcements, bioactivity and morphology similar to natural tissues. This chapter is focused on composite materials reinforced with chitin nanofibrils and their biomedical applications.

Composite chitosan/agarose ferrogels for potential applications in magnetic hyperthermia - Zamora-Mora, Vanessa; Paula I P Soares; Coro Echeverria; Hernández, Rebeca; Mijangos, Carmen (Gels, 2015)
Composite ferrogels were obtained by encapsulation of magnetic nanoparticles at two different concentrations (2.0 and 5.0 % w/v) within mixed agarose/chitosan hydrogels having different concentrations of agarose (1.0, 1.5 and 2.0% (w/v)) and a fixed concentration of chitosan (0.5% (w/v)). The morphological characterization carried out by scanning electron microscopy showed that dried composite ferrogels present pore sizes in the micrometer range. Thermogravimetric measurements showed that ferrogels present higher degradation temperatures than blank chitosan/agarose hydrogels without magnetic nanoparticles. In addition, measurements of the elastic moduli of the composite ferrogels evidenced that the presence of magnetic nanoparticles in the starting aqueous solutions prevents to some extent the agarose gelation achieved by simply cooling chitosan/agarose aqueous solutions. Finally, it is shown that composite chitosan/agarose ferrogels are able to heat in response to the application of an alternating magnetic field so that they can be considered as potential biomaterials to be employed in magnetic hyperthermia treatments.

Construção Sustentável - conceito e prática - Amado, Miguel P.; Reaes Pinto; Ana M. Oliveira; Ramalhete, Inês (Caleidoscópio_Edição e Artes Gráficas, SA, ISBN: 978-989-658-324-8, 2015)

Construction of a sustainable island city: The case of Cape Verde - R. Vera-Cruz; Amado, Miguel P. (Energy Procidea - DOI: 10.1016/j.egypro.2015.07.797, 2015)

Construction of effective disposable biosensors for point-of-care testing of nitrite - Monteiro, T.; Rodrigues, P. R.; Gonçalves, A. L.; Moura, J. J. G.; Anorga, L.; Jubete, E.; Piknova, B.; Schechter, A. N.; Silveira, C. M.; Almeida, M. G. (Talanta, 2015)

Core-shell superparamagnetic nanoparticles with interesting properties as contrast agents for MRI - Carvalho, A.; Domingues, I.; Goncalves, M. C. (Materials Chemistry and Physics, 2015)
Core shell nanoparticles (NPs) formed by superparamagnetic iron oxide NPs (SPIONs) coated with inorganic or organically modified (ORMOSIL) sol gel silica exhibited promising properties as negative contrast agents (CA) for MRI applications. The potentiality of these new core shell NPs as negative CA for MRI is demonstrated and quantified. The longitudinal and transverse relaxivities of NPs with three different coating compositions were studied at a 7 T magnetic field: silica (TEOS), (3-aminopropyl) triethoxysilane (APTES) and (3-glycidoxypropyl) methyldiethoxysilane (GPTMS). Clearly, it was found that the core shell NPs efficiency as CA was strongly depend on the SPIONs coating. All the three core shell NPs studied presented a very small effect on the longitudinal relaxation time but a pronounced one on the transverse relaxation time, leading to a very high transverse longitudinal relaxivities ratio, decisive for their efficiency as negative CA for MRI The effect of the core shell NPs on the MRI contrast enhancement is obtained and quantified in a set of MRI of agar phantoms obtained at 7 T magnetic field and with a imaging gradient field of 1.6 T/m. The core shell NPs were tested in Zebra-fish (Danio rerio) animal model. Zebra-fish MRI were obtained with animals injected with the three core shell NPs and the contrast enhancement validated. (C) 2015 Elsevier B.V. All rights reserved.
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Keywords: nanostructures nuclear magnetic resonance (nmr) magnetic materials microporous materials sol-gel growth iron-oxide nanoparticles organically modified silica mesoporous silica ormosil nanoparticles particles therapy delivery relaxivity zebrafish spheres

Covalent coupling of gum arabic onto superparamagnetic iron oxide nanoparticles for MRI cell labeling: physicochemical and in vitro characterization - Palma, S. I.; Carvalho, A.; Silva, J.; Martins, P.; Marciello, M.; Fernandes, A. R.; Del Puerto Morales, M.; Roque, A C (Contrast Media Mol Imaging, 2015)
Gum arabic (GA) is a hydrophilic composite polysaccharide derived from exudates of Acacia senegal and Acacia seyal trees. It is biocompatible, possesses emulsifying and stabilizing properties and has been explored as coating agent of nanomaterials for biomedical applications, namely magnetic nanoparticles (MNPs). Previous studies focused on the adsorption of GA onto MNPs produced by co-precipitation methods. In this work, MNPs produced by a thermal decomposition method, known to produce uniform particles with better crystalline properties, were used for the covalent coupling of GA through its free amine groups, which increases the stability of the coating layer. The MNPs were produced by thermal decomposition of Fe(acac)3 in organic solvent and, after ligand-exchange with meso-2,3-dimercaptosuccinic acid (DMSA), GA coating was achieved by the establishment of a covalent bond between DMSA and GA moieties. Clusters of several magnetic cores entrapped in a shell of GA were obtained, with good colloidal stability and promising magnetic relaxation properties (r2 /r1 ratio of 350). HCT116 colorectal carcinoma cell line was used for in vitro cytotoxicity evaluation and cell-labeling efficiency studies. We show that, upon administration at the respective IC50 , GA coating enhances MNP cellular uptake by 19 times compared to particles bearing only DMSA moieties. Accordingly, in vitro MR images of cells incubated with increasing concentrations of GA-coated MNP present dose-dependent contrast enhancement. The obtained results suggest that the GA magnetic nanosystem could be used as a MRI contrast agent for cell-labeling applications.
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Keywords: Dmsa HCT116 cell line cell labeling colorectal carcinoma gum arabic in vitro MRI iron oxide magnetic nanoparticles magnetic resonance imaging

Covalent coupling of gum arabic onto superparamagnetic iron oxide nanoparticles for MRI cell labeling: physiochemical and in vitro characterization - Susana I.C.J.Palma; Alexandra Carvalho; Joana Silva; Alexandra R. Fernandes; Maria del Puerto-Morales; Roque, Ana C A (Contrast Media and Molecular Imaging, 2015)
Gum arabic (GA) is a hydrophilic composite polysaccharide derived from exudates of Acacia senegal and Acacia seyal trees. It is biocompatible, possesses emulsifying and stabilizing properties and has been explored as coating agent of nanomaterials for biomedical applications, namely magnetic nanoparticles (MNPs). Previous studies focused on the adsorption of GA onto MNPs produced by co-precipitation methods. In this work, MNPs produced by a thermal decomposition method, known to produce uniform particles with better crystalline properties, were used for the covalent coupling of GA through its free amine groups, which increases the stability of the coating layer. The MNPs were produced by thermal decomposition of Fe(acac)3 in organic solvent and, after ligand-exchange with meso-2,3-dimercaptosuccinic acid (DMSA), GA coating was achieved by the establishment of a covalent bond between DMSA and GA moieties. Clusters of several magnetic cores entrapped in a shell of GA were obtained, with good colloidal stability and promising magnetic relaxation properties (r2 /r1 ratio of 350). HCT116 colorectal carcinoma cell line was used for in vitro cytotoxicity evaluation and cell-labeling efficiency studies. We show that, upon administration at the respective IC50 , GA coating enhances MNP cellular uptake by 19 times compared to particles bearing only DMSA moieties. Accordingly, in vitro MR images of cells incubated with increasing concentrations of GA-coated MNP present dose-dependent contrast enhancement. The obtained results suggest that the GA magnetic nanosystem could be used as a MRI contrast agent for cell-labeling applications.

Decisions of Technology Innovation: The Role of Indicators - Nuno Filipe França Gouveia Boavida (Universidade Nova de Lisboa, 2015)

Design of controlled release systems for THEDES—Therapeutic deep eutectic solvents, using supercritical fluid technology - I. M. Aroso; R. Craveiro; Rocha, A.; M. Dionísio; S. Barreiros; R. L. Reis; A. Paiva; A. R. C. Duarte (International Journal of Pharmaceutics, 2015)

Dipolar motions and ionic conduction in an ibuprofen derived ionic liquid - M. T. Viciosa; G. Santos; Costa, A.; Danède, F.; Branco, L. C.; N. Jordão; N. T. Correia; M. Dionísio (Physical Chemistry Chemical Physics, 2015)

Diving into the redox properties of Geobacter sulfurreducens cytochromes: a model for extracellular electron transfer - Santos, TC; Silva,MA; Morgado, L.; Dantas, J.M.; Salgueiro, C.A. (Dalton Trans, 2015)
Geobacter bacteria have a remarkable respiratory versatility that includes the dissimilatory reduction of insoluble metal oxides in natural habitats and electron transfer to electrode surfaces from which electricity can be harvested. In both cases, electrons need to be exported from the cell interior to the exterior via a mechanism designated as extracellular electron transfer (EET). Several c-type cytochromes from G. sulfurreducens (Gs) were identified as key players in this process. Biochemical and biophysical data have been obtained for ten Gs cytochromes, including inner-membrane associated (MacA), periplasmic (PpcA, PpcB, PpcC, PpcD, PpcE and GSU1996) and outer membrane-associated (OmcF, OmcS and OmcZ). The redox properties of these cytochromes have been determined, except for PpcC and GSU1996. In this perspective, the reduction potentials of these two cytochromes were determined by potentiometric redox titrations followed by visible spectroscopy. The data obtained are taken together with those available for other key cytochromes to present a thorough overview of the current knowledge of Gs EET mechanisms and provide a possible rationalization for the existence of several multiheme cytochromes involved in the same respiratory pathways.

Down conversion photoluminescence on PVP/Ag-nanoparticles electrospun composite fibers - Baptista, Ana Catarina; Botas, Alexandre; Almeida, Ana; Nicolau, Ana; Falcão, Bruno; Soares, Manuel; Leitão, Joaquim Pratas; Rodrigo Martins; Borges, João Paulo; Ferreira, Isabel (Optical Materials, 2015)
The influence of Ag nanoparticles (Ag NPs) on the luminescence of electrospun nonwoven mats made of polyvinylpyrrolidone (PVP) has been studied in this work. The PVP fibers incorporating 2.1–4.3 nm size Ag NPs show a significant photoluminescence (PL) band between 580 and 640 nm under 325 nm laser excitation. The down conversion luminescence emission is present even after several hours of laser excitation, which denotes the durability and stability of fibers to consecutive excitations. As so these one-dimensional photonic fibers made using cheap methods is of great importance for organic optoelectronic applications, fluorescent clothing or counterfeiting labels.

Down conversion photoluminescence on PVP/Ag-nanoparticles electrospun composite fibers - Baptista, A. C.; A. M. Botas; A. P. C. Almeida; A. T. Nicolau; B. P. Falcão; M. J. Soares; J. P. Leitão; R. Martins; Borges, J. P.; Ferreira, I. (Opt. Mater., 2015)
The influence of Ag nanoparticles (Ag NPs) on the luminescence of electrospun nonwoven mats made of polyvinylpyrrolidone (PVP) has been studied in this work. The PVP fibers incorporating 2.1–4.3 nm size Ag NPs show a significant photoluminescence (PL) band between 580 and 640 nm under 325 nm laser excitation. The down conversion luminescence emission is present even after several hours of laser excitation, which denotes the durability and stability of fibers to consecutive excitations. As so these one-dimensional photonic fibers made using cheap methods is of great importance for organic optoelectronic applications, fluorescent clothing or counterfeiting labels.

Dy, Tb, Gd and Eu complexes with low melting point and magnetic behavior - Cláudia C. L. Pereira; Laura C. J. Pereira; João P. Leal; César A. T. Laia; Monteiro, Bernardo (Poyhedron, 2015)

Effects of phase transfer ligands on monodisperse iron oxide magnetic nanoparticles - Susana I Palma; Marzia Marciello; Alexandra Carvalho; Sabino Veintemillas-Verdaguer; M Puerto Morales; Roque, Ana C A (Journal of Colloid & Interface Science, 2015)
Oleic acid coated iron oxide nanoparticles synthesized by thermal decomposition in organic medium are highly monodisperse but at the same time are unsuitable for biological applications. Ligand-exchange reactions are useful to make their surface hydrophilic. However, these could alter some structural and magnetic properties of the modified particles. Here we present a comprehensive study and comparison of the effects of employing either citric acid (CA) or meso-2,3-dimercaptosuccinic acid (DMSA) ligand-exchange protocols for phase transfer of monodisperse hydrophobic iron oxide nanoparticles produced by thermal decomposition of Fe(acac)3 in benzyl ether. We show the excellent hydrodynamic size distribution and colloidal stability of the hydrophilic particles obtained by the two protocols and confirm that there is a certain degree of oxidation caused by the ligand-exchange. CA revealed to be more aggressive towards the iron oxide surface than DMSA and greatly reduced the saturation magnetization values and initial susceptibility of the resulting particles compared to the native ones. Besides being milder and more straightforward to perform, the DMSA ligand exchange protocol produces MNP chemically more versatile for further functionalization possibilities. This versatility is shown through the covalent linkage of gum Arabic onto MNP-DMSA using carboxyl and thiol based chemical routes and yielding particles with comparable properties.

Effects of ultra-sonication on the cyanobacteria Microcystis aeruginosa structure and growth - H. Muelle; P. Barquinha; Ferreira, I.; E. Fortunato; Santos, M. C.; Diniz, M. S. (Microsc. Microanal., 2015)
The eutrophication of surface waters caused by cyanobacteria is a worldwide problem, leading to expensive water treatment costs [1]. In addition, the production of microcystins by these microalgae may cause many health problems to humans and animals (e.g. liver cancer) and even death [2]. Therefore, a variety of methods have been developed to control cyanobacteria blooms, including physical and chemical treatments. However, they have negative impacts on other species of (micro) algae and on other aquatic biota. As a consequence, ultrasonic algae treatment has been proposed as a clean approach to controlling the blooms of some algae species and microcystins degradation [3]. Still, the specific effects of ultra-sonication on cyanobacteria are not well known. The present work aimed to study the effects of ultra-sonication on the cyanobacteria structure under different ultrasound conditions (changing frequency and power) by using conventional histology and electron microscopy methods. Microcystis spp. were harvested in a lake from Azores (Portugal) and stored in the cool and dark until transported to the laboratory. Cyanobacteria were cultured in liquid BG-11 axenic medium at 22ºC in an incubator chamber, under continuous illumination (fluorescent cold white light). Samples were collected and suspensions of cells (1ml each) were subjected to ultrasonic irradiation using diverse ultrasonic equipment (UP100H; UP200S, sonoreactor UTR 200 and ultrasonic bath) and testing different exposure times. All the experimental algal suspensions were exposed for 5 min to ultrasonication (on ice for periods of 10s to avoid heating). After ultrasonication cyanobacteria growth was assessed for a period of 14 days and structural changes in cells were evaluated by light (LM) and scanning electron microscopy (SEM) examination. The results show growth inhibition of the cyanobacteria according to intensity and power used in each ultrasonic device. The use of the most powerful devices (sonoreactor and UP200S) resulted in a massive disrupting of cell walls with consequent cell death (Fig. 1e,f). Similar results were obtained by Ahan et al. [1] and Nakano et al. [4] and showing cell wall disruption. However, even after exposure to the most powerful instrumentation it was possible to detect some viable cells and after 14 days colonies were already visible. The results from light and electron microscopy showed noticeable changes at the structural level such as disruption of cell gas vacuoles (arrowhead), colony disaggregation and damage of cell walls of cells (Fig. 1c-f). As a consequence, the use of ultrasounds to improve water quality from eutrophic waters must be considered with careful in terms of efficiency and other complementary methods should be considered to assure good water quality criteria. In addition, the effects of ultrasonication in other aquatic organisms require further studies before using this technology to control algae blooms.

Energy supply-storage models for Rural Net-Zero Communities – An integrated approach - Poggi, Francesca; Ana Firmino; Amado, Miguel P. (EMER 2015, 2015)

Experimental and theoretical determination of the Kα2/Kα1 intensity ratio for zinc - Ito, Y; Tochio, T; Fukushima, S; Taborda, A; Sampaio, J M; Marques, J P; Parente, F.; Indelicato, P.; Santos, J. P. (Journal of Quantitative Spectroscopy and Radiative Transfer, 2015)
X-ray intensity ratios, such as the Kα2/Kα1 ratio, are parameters with a large application in atomic physics and related scientific and technological areas. D.
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Gold nanoparticle-based theranostics: disease diagnostic and treatment using a single nanomaterial - Raquel Vinhas; Cordeiro, Milton; Fábio Ferreira Carlos; Soraia Mendo; Alexandra R. Fernandes; Sara Figueiredo; Pedro V. Baptista (J. Nanobiosensors in Disease Diagnosis, 2015)
Nanotheranostics takes advantage of nanotechnology-based systems in order to diagnose and treat a specific disease. This approach is particularly relevant for personalized medicine, allowing the detection of a disease at an early stage, to direct a suitable therapy toward the target tissue based on the molecular profile of the altered phenotype, subsequently facilitating disease monitoring and following treatment. A tailored strategy also enables to reduce the off-target effects associated with universal treatments and improve the safety profile of a given treatment. The unique optical properties of gold nanoparticles, their ease of surface modification, and high surface-to-volume ratio have made them central players in this area. By combining imaging, targeting, and therapeutic agents in a single vehicle, these nanoconjugates are (ought to be) an important tool in the clinics. In this review, the multifunctionality of gold nanoparticles as theranostics agents will be highlighted, as well as the requirements before the translation of these nanoplatforms into routine clinical practice.

Gold Nanoparticles for DNA/RNA based diagnostics - Ricardo Franco; Pedro Pedrosa; Fábio Ferreira Carlos; Bruno Veigas; Pedro V. Baptista (Handbook of Nanoparticles, 2015)

Heterocyclic Anticancer Compounds: Recent Advances and the Paradigm Shift towards the Use of Nanomedicine’s Tool Box - Pedro Martins; João Jesus; Sofia Santos; Luis R. Raposo; Catarina Roma-Rodrigues; Pedro Viana Baptista; Alexandra R. Fernandes (Molecules, 2015)
The majority of heterocycle compounds and typically common heterocycle fragments present in most pharmaceuticals currently marketed, alongside with their intrinsic versatility and unique physicochemical properties, have poised them as true cornerstones of medicinal chemistry. Apart from the already marketed drugs, there are many other being investigated for their promising activity against several malignancies. In particular, anticancer research has been capitalizing on the intrinsic versatility and dynamic core scaffold of these compounds. Nevertheless, as for any other promising anticancer drugs, heterocyclic compounds do not come without shortcomings. In this review, we provide for a concise overview of heterocyclic active compounds and families and their main applications in medicine. We shall focus on those suitable for cancer therapy while simultaneously addressing main biochemical modes of action, biological targets, structure-activity relationships as well as intrinsic limitation issues in the use of these compounds. Finally, considering the advent of nanotechnology for effective selective targeting of drugs, we shall discuss fundamental aspects and considerations on nanovectorization of such compounds that may improve pharmacokinetic/pharmacodynamic properties of heterocycles.

Host-Guest Complexes of Flavylium Cations and Cucurbit[7]uril: The Influence of Flavylium Substituents on the Structure and Stability of the Complex - Basilio, N; Petrov, V; Pina, F (CHEMPLUSCHEM, 2015)

Hydrogenated nanocrystalline silicon thin films with promising thermoelectric properties - Loureiro, J.; T. Mateus; S. Filonovich; M. Ferreira; J. Figueira; Rodrigues, A.; B. F. Donovan; P. E. Hopkins; Ferreira, I. (Appl. Phys. A, 2015)
The search for materials with suitable thermoelectric properties that are environmentally friendly and abundant led us to investigate p- and n-type hydrogenated nanocrystalline silicon (nc-Si:H) thin films, produced by plasma-enhanced chemical vapor deposition. The Seebeck coefficient and power factor were measured at room temperature showing optimized values of 512 µV K−1 and 3.6 × 10−5 W m−1 K−2, for p-type, and −188 µV K−1 and 2.2 × 10−4 W m−1 K−2, for n-type thin films. The thermoelectric output power of one nc-Si:H pair of both n- and p-type materials is ~91 µW per material cm3, for a thermal gradient of 8 K. The output voltage and current values show a linear dependence with the number of pairs interconnected in series and/or parallel and show good integration performance.

Incorporation of molybdenum in rubredoxin: Models for mononuclear molybdenum enzymes - B.K. Maiti; Maia, L. B.; Silveira, C.; Todorovic, S.; Carreira, C.; Carepo, M.; Grazina, R.; Moura, I.; Moura, J. J. G. (J Biol Inorg Chem, 2015)

Indicators in Technology Assessment – Passive Choices or Reflected Options? - Nuno Boavida; Stefan Böschen (Parliaments and civil society in Technology Assessments, 2015)

Infection of human keratinocytes by Streptococcus dysgalactiae subspecies dysgalactiae isolated from milk of the bovine udder. - Catarina Roma-Rodrigues; Cynthia Barroco; Luís R. Raposo; Mafalda N. Costa; Elvira Fortunato; Pedro Viana Baptista; Alexandra R. Fernandes; Ilda Santos-Sanches (Microbes and Infection, 2015)
Streptococcus dysgalactiae subsp. dysgalactiae (SDSD) are considered exclusive animal pathogens; however, a putative zoonotic upper limb cellulitis, a prosthetic joint infection and an infective endocarditis were described in humans. To unravel if bovine SDSD isolates are able to infect human cells, the adherence and internalization to human primary keratinocytes of two bovine SDSD strains isolated from milk collected from udder were analyzed. Bacterial adhesion assays and confocal microscopy indicate a high adherence and internalization of SDSD isolates to human cells, suggesting for the first time the ability of bovine isolates to infect human cells.

Inorganic Compounds Going NANO - Joana Coimbra; Carolina Mota; Sofia Santos; Pedro Viana Baptista; Alexandra R. Fernandes (Annals of Medicinal Chemistry and Research, 2015)

Intuitive Interaction Between Humans and Robots in Work Functions at Industrial Environments: The Role of Social Robotics - António Brandão Moniz (Social Robots from a Human Perspective, 2015)

Isotropic exchange interaction between Mo and the proximal FeS center in the xanthine oxidase family member aldehyde oxidoreductase from Desulfovibrio gigas on native and polyalcohol inhibited samples: an EPR and QM/MM study - Gómez, M.C.; Neuman, N.I.; Dalosto, S.D.; Gonzalez, P. J.; Moura, J. J. G.; Rizzi, A. C.; Brondino, C. D. (J Biol Inorg Chem, 2015)

L-Rhamnosylation of Listeria monocytogenes wall teichoic acids promotes resistance to antimicrobial peptides by delaying interaction with the membrane - F. Carvalho; M. L. Atilano; R. Pombinho; G. Covas; R. L. Gallo; S. R. Filipe; S. Sousa; D. Cabanes (PLoS Pathogens, 2015)

A light in the dark: a conceptual approach to the creative use of light in contemporary art - Albuquerque, Inês; Teresa Almeida (14° Encontro Internacional de Arte e Tecnologia, 2015)

Long term energy scenarios: Bridging the gap between socio-economic storylines and energy Modeling - Patrícia Fortes; António Alvarenga; Júlia Seixas; Sofia Rodrigues (Technological Forecasting & Social Change, 2015)

Mammalian NET-Seq Reveals Genome-wide Nascent Transcription Coupled to RNA Processing - Nojima, Takayuki; Gomes, Tomás; Ana Rita Grosso; Kimura, Hiroshi; Dye, Michael J.; Dhir, Somdutta; Carmo-fonseca, Maria; Proudfoot, Nicholas J. (Cell, 2015)
Transcription is a highly dynamic process. Consequently, we have developed native elongating transcript sequencing technology for mammalian chromatin (mNET-seq), which generates single-nucleotide resolution, nascent transcription profiles. Nascent RNA was detected in the active site of RNA polymerase II (Pol II) along with associated RNA processing intermediates. In particular, we detected 5'splice site cleavage by the spliceosome, showing that cleaved upstream exon transcripts are associated with Pol II CTD phosphorylated on the serine 5 position (S5P), which is accumulated over downstream exons. Also, depletion of termination factors substantially reduces Pol II pausing at gene ends, leading to termination defects. Notably, termination factors play an additional promoter role by restricting non-productive RNA synthesis in a Pol II CTD S2P-specific manner. Our results suggest that CTD phosphorylation patterns established for yeast transcription are significantly different in mammals. Taken together, mNET-seq provides dynamic and detailed snapshots of the complex events underlying transcription in mammals.

microRNAs based therapy of Hypertrophic cardiomyopathy: the road traveled so far - Catarina Roma-Rodrigues; Luís R. Raposo; Alexandra R. Fernandes (BioMed Research International, 2015)
Hypertrophic cardiomyopathy (HCM) is an autosomal dominant disease characterized by variable expressivity, age penetrance, and a high heterogeneity. The transcriptional profile (miRNAs, mRNAs), epigenetic modifications, and posttranslational modifications seem to be highly relevant for the onset of the disease. miRNAs, small noncoding RNAs with 22 nucleotides, have been implicated in the regulation of cardiomyocyte function, being differentially expressed in several heart diseases, including HCM. Moreover, a different miRNA expression profile in the various stages of HCM development is also observed. This review summarizes the current knowledge of the profile of miRNAs characteristic of asymptomatic to overt HCM patients, discussing alongside their potential use for diagnosis and therapy. Indeed, the stability and specificity of miRNAs make them suitable targets for use as biomarkers for diagnosis and prognosis and as therapeutical targets.

Mild and cost-effective green fluorescent protein purification employing small synthetic ligands - Pina, Ana Sofia; Dias, Ana Margarida G.C.; Ustok, Fatma Isik; Khoury, Graziella El; Cláudia S M Fernandes; Ricardo J F Branco; Lowe, Christopher R.; Roque, Ana C A (Journal of Chromatography A, 2015)
Abstract The green fluorescent protein (GFP) is a useful indicator in a broad range of applications including cell biology, gene expression and biosensing. However, its full potential is hampered by the lack of a selective, mild and low-cost purification scheme. In order to address this demand, a novel adsorbent was developed as a generic platform for the purification of \{GFP\} or \{GFP\} fusion proteins, giving \{GFP\} a dual function as reporter and purification tag. After screening a solid-phase combinatorial library of small synthetic ligands based on the Ugi-reaction, the lead ligand (A4C7) selectively recovered \{GFP\} with 94% yield and 94% purity under mild conditions and directly from Escherichia coli extracts. Adsorbents containing the ligand \{A4C7\} maintained the selectivity to recover other proteins fused to GFP. The performance of \{A4C7\} adsorbents was compared with two commercially available methods (immunoprecipitation and hydrophobic interaction chromatography), confirming the new adsorbent as a low-cost viable alternative for \{GFP\} purification.
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Keywords: Chromatography

Mimicking Positive and Negative Copigmentation Effects in Anthocyanin Analogues by Host-Guest Interaction with Cucurbit[7]uril and beta-Cyclodextrins - Basilio, N; Cabrita, L ; Pina, F (JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2015)

Molybdenum and tungsten enzymes: from biology to chemistry and back - Moura, J. J. G.; Bernhardt, P. V.; Maia, L. B.; Gonzalez, P. J. (J Biol Inorg Chem, 2015)

Molybdenum and tungsten-dependent formate dehydrogenases - Maia, L. B.; Moura, J. J. G.; Moura, I. (J Biol Inorg Chem, 2015)

Moving Forward on Sustainable Energy Transitions: The Smart Rural - Poggi, Francesca; Ana Firmino; Amado, Miguel P. (European Journal of Sustainable Development - DOI:10.14207/ejsd.2015.v4n2p43, 2015)

A multi-integrated approach on toxicity effects of engineered TiO2 nanoparticles - A. Picado; S. M. Paixão; L. Moita; L. Silva; Diniz, M. S.; J. Lourenço; I. Peres; L. Castro; J. B. Correia; J. Pereira; Ferreira, I.; A. P. A. Matos; et al. (Front. Env. Sci. Eng., 2015)
The new properties of engineered nanoparticles drive the need for new knowledge on the safety, fate, behavior and biologic effects of these particles on organisms and ecosystems. Titanium dioxide nanoparticles have been used extensively for a wide range of applications, e.g, self-cleaning surface coatings, solar cells, water treatment agents, topical sunscreens. Within this scenario increased environmental exposure can be expected but data on the ecotoxicological evaluation of nanoparticles are still scarce. The main purpose of this work was the evaluation of effects of TiO2 nanoparticles in several organisms, covering different trophic levels, using a battery of aquatic assays. Using fish as a vertebrate model organism tissue histological and ultrastructural observations and the stress enzyme activity were also studied. TiO2 nanoparticles (Aeroxide® P25), two phase composition of anatase (65%) and rutile (35%) with an average particle size value of 27.6±11 nm were used. Results on the EC50 for the tested aquatic organisms showed toxicity for the bacteria, the algae and the crustacean, being the algae the most sensitive tested organism. The aquatic plant Lemna minor showed no effect on growth. The fish Carassius auratus showed no effect on a 21 day survival test, though at a biochemical level the cytosolic Glutathione-S-Transferase total activity, in intestines, showed a general significant decrease (p<0.05) after 14 days of exposure for all tested concentrations. The presence of TiO2 nanoparticles aggregates were observed in the intestine lumen but their internalization by intestine cells could not be confirmed.

Nitrite reductase activity of rat and human xanthine oxidase, xanthine dehydrogenase and aldehyde oxidase: evaluation of their contribution to the NO formation in vivo - Maia, L. B.; Pereira, V.; Mira, L.; Moura, J. J. G. (Biochemistry, 2015)

Nitrite reduction by molybdoenzymes - A new class of nitric oxide-forming nitrite reductases - Maia, L. B.; Moura, J. J. G. (J Biol Inorg Chem, 2015)

No Countries for Old Technology Assessment? Sketching the Efforts and Opportunities to Establish Parliamentary TA in Spain and Portugal - Böhle, Knud; António Moniz (EconStor Open Access Articles, 2015)
If the question is whether there is a parliamentary technology assessment (PTA) unit in Portugal or Spain, the clear answer is that there is still no such unit at the central state level at the present time, neither in Portugal nor in Spain. The question then has to be modified addressing previous and current efforts to establish PTA and the current framework conditions and opportunities. Practices of PTA are framed here as a democratic innovation in the context of changes in representative democracies. Against this backdrop, the efforts and opportunities to establish PTA in Spain and Portugal are studied. By sketching these developments and outlining the opportunities in these countries, our aim is to contribute to the debate about the likelihood of a new wave of PTA in Europe (Hennen/Nierling 2014).
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Keywords: Parliament; Portugal; Spain; Technology Assessment

Office Paper Platform for Bioelectrochromic Detection of Electrochemically Active Bacteria using Tungsten Trioxide Nanoprobes - Marques, AC; L. Santos; M. N. Costa; Dantas, J.M.; Duarte, P; Gonçalves, A; R. Martins; Salgueiro, C.A.; E. Fortunato (Sci. Rep, 2015)
Electrochemically active bacteria (EAB) have the capability to transfer electrons to cell exterior, a feature that is currently explored for important applications in bioremediation and biotechnology fields. However, the number of isolated and characterized EAB species is still very limited regarding their abundance in nature. Colorimetric detection has emerged recently as an attractive mean for fast identification and characterization of analytes based on the use of electrochromic materials. In this work, WO3 nanoparticles were synthesized by microwave assisted hydrothermal synthesis and used to impregnate non-treated regular office paper substrates. This allowed the production of a paper-based colorimetric sensor able to detect EAB in a simple, rapid, reliable, inexpensive and eco-friendly method. The developed platform was then tested with Geobacter sulfurreducens, as a proof of concept. G. sulfurreducens cells were detected at latent phase with an RGB ratio of 1.10 ± 0.04, and a response time of two hours.

Office Paper Platform for Bioelectrochromic Detection of Electrochemically Active Bacteria using Tungsten Trioxide Nanoprobes - A. C. Marques,; L. Santos,; M. N. Costa,; J. M. Dantas,; P. Duarte,; A. Gonçalves,; R. Martins,; C. A. Salgueiro,; E. Fortunato (Nature Publishing Group Scientific Reports, 2015)

One nanoprobe, two pathogens: gold nanoprobes multiplexing for point-of-care - Bruno Veigas; Pedro Pedrosa; Fábio F Carlos; Liliana Mancio-Silva; Ana Rita Grosso; Elvira Fortunato; Maria M. Mota; Pedro V. Baptista (Journal of Nanobiotechnology, 2015)
BACKGROUND: Gold nanoparticles have been widely employed for biosensing purposes with remarkable efficacy for DNA detection. Amongst the proposed systems, colorimetric strategies based on the remarkable optical properties have provided for simple yet effective sequence discrimination with potential for molecular diagnostics at point of need. These systems may also been used for parallel detection of several targets to provide additional information on diagnostics of pathogens. RESULTS: For the first time, we demonstrate that a single Au-nanoprobe may provide for detection of two distinct targets (pathogens) allowing colorimetric multi-target detection. We demonstrate this concept by using one single gold-nanoprobe capable to detect members of the Mycobacterium tuberculosis complex and Plasmodium sp., the etiologic agents of tuberculosis and malaria, respectively. Following characterisation, the developed gold-nanoprobe allowed detection of either target in individual samples or in samples containing both DNA species with the same efficacy. CONCLUSIONS: Using one single probe via the non-cross-linking colorimetric methodology it is possible to identify multiple targets in one sample in one reaction. This proof-of-concept approach may easily be integrated into sensing platforms allowing for fast and simple multiplexing of Au-nanoprobe based detection at point-of-need.
Keywords: Gold nanoparticles; Malaria; MTBC; Nanodiagnostics; Plasmodium; rpoB; Tuberculosis

One-pot synthesis of dual-stimuli responsive hybrid PNIPAAm-chitosan microgels - Coro Echeverria; Paula I P Soares; Ana Robalo; Laura Pereira; Novo, Carlos; Ferreira, Isabel; Borges, João Paulo (Materials & Design, 2015)
The incorporation of magnetic nanoparticles into poly(N-isopropylacrylamide) (PNIPAAm) and chitosan microgels gives rise to hybrid systems that combine the microgels swelling capacity with the interesting features presented in magnetic nanoparticles. The presence of chitosan that act as surfactant for magnetic nanoparticles provides a simplistic approach which allows the encapsulation of magnetic nanoparticles without any previous surface modification. Spherical and highly monodisperse microgels with diameters in the range of 200 to 500 nm were obtained. The encapsulation of magnetic nanoparticles in the polymer matrix was confirmed by high resolution Scanning Electron Microscopy in transmission mode. Volume phase transition of the microgels was accessed by Dynamic Light Scattering measurements. It was observed that the thermosensitivity of the PNIPAM microgels still persists in the hybrid microgels; however, the swelling ability is compromised in the microgels with highest chitosan content. The heating performance of the hybrid magnetic microgels, when submitted to an alternating magnetic field, was also evaluated demonstrating the potential of these systems for hyperthermia treatments.

One-pot synthesis of dual-stimuli responsive hybrid PNIPAAm-chitosan microgels - Echeverria, C.; P. Soares; A. Robalo; L. Pereira; Novo, CMM; Ferreira, I.; Borges, J. P. (Mater. Des, 2015)
The incorporation of magnetic nanoparticles into poly(N-isopropylacrylamide) (PNIPAAm) and chitosan microgels gives rise to hybrid systems that combine the microgels swelling capacity with the interesting features presented in magnetic nanoparticles. The presence of chitosan that act as surfactant for magnetic nanoparticles provides a simplistic approach which allows the encapsulation of magnetic nanoparticles without any previous surface modification. Spherical and highly monodisperse microgels with diameters in the range of 200 to 500 nm were obtained. The encapsulation of magnetic nanoparticles in the polymer matrix was confirmed by high resolution Scanning Electron Microscopy in transmission mode. Volume phase transition of the microgels was accessed by Dynamic Light Scattering measurements. It was observed that the thermosensitivity of the PNIPAM microgels still persists in the hybrid microgels; however, the swelling ability is compromised in the microgels with highest chitosan content. The heating performance of the hybrid magnetic microgels, when submitted to an alternating magnetic field, was also evaluated demonstrating the potential of these systems for hyperthermia treatments.

One-step synthesis of ZnO decorated CNT buckypaper composites and their optical and electrical properties - Rodrigues, L. C.,; Mata, D.,; Pimentel; Nunes, D.,; Martins; Fortunato; Neves, Nuno,; Monteiro, T.,; Costa, F.M. (Materials Science and Engineering: B, 2015)

Peptidoglycan branched stem peptides contribute to Streptococcus pneumoniae virulence by inhibiting pneumolysin release - N. G. Greene; A. R. Narciso; S. R. Filipe; A. Camilli (PLoS Pathogens, 2015)

Periplasmic nitrate reductase and formate dehydrogenase: similar molecular architectures with very different enzymatic activities - Cerqueira, N.; Gonzalez, P. J.; Fernandes, P. A.; Moura, J. J. G.; Ramos, M. J. (Acc Chem Res, 2015)

Pervasive transcription read-through promotes aberrant expression of oncogenes and RNA chimeras in renal carcinoma - Ana Rita Grosso; Leite, Ana Paula; Carvalho, Sílvia; Matos, Mafalda Ramos; Martins, Filipa Batalha; Vítor, Alexandra Coitos; Desterro, Joana Mp; Carmo-fonseca, Maria; de Almeida, Sérgio Fernandes (eLife, 2015)
Aberrant expression of cancer genes and non-canonical RNA species is a hallmark of cancer. However, the mechanisms driving such atypical gene expression programs are incompletely understood. Here, our transcriptional profiling of a cohort of 50 primary clear cell renal cell carcinoma (ccRCC) samples from The Cancer Genome Atlas (TCGA) reveals that transcription read-through beyond the termination site is a source of transcriptome diversity in cancer cells. Amongst the genes most frequently mutated in ccRCC, we identified SETD2 inactivation as a potent enhancer of transcription read-through. We further show that invasion of neighbouring genes and generation of RNA chimeras are functional outcomes of transcription read-through. We identified the BCL2 oncogene as one of such invaded genes and detected a novel chimera, the CTSC-RAB38, in 20% of ccRCC samples. Collectively, our data highlight a novel link between transcription read-through and aberrant expression of oncogenes and chimeric transcripts that is prevalent in cancer.

Pintar com luz: o esmalte azul na pintura de vitral - Vilarigues, Márcia; Andreia Machado (Química – Boletim da Sociedade Portuguesa de Química, 2015)

Planning PV power plants in sub-Saharan African countries. The case of Fogo Island – Cabo Verde - Amado, Miguel P.; Poggi, Francesca (Materials and technologies for energy efficiency, 2015)

POxylated polyurea dendrimers: Smart core-shell vectors with IC50 lowering capacity - R.B. Restani; J. Conde; R.F. Pires; Martins, P.; Fernandes, A. R.; P.V. Baptista; V.D.B. Bonifácio; Aguiar-Ricardo, A. (Macromol. Biosci., 2015)
The design and preparation of highly efficient drug delivery platforms using green methodologies is at the forefront of nanotherapeutics research. POxylated polyurea dendrimers are efficiently synthesized using a supercritical-assisted polymerization in carbon dioxide. These fluorescent, pH-responsive and water-soluble core-shell smart nanocarriers show low toxicity in terms of cell viability and absence of glutathione depletion, two of the major side effect limitations of current vectors. The materials are also found to act as good transfection agents, through a mechanism involving an endosomal pathway, being able to reduce 100-fold the IC50 of paclitaxel.

A preliminary check of the refurbishing large office buildings to a zero energy condition - Miguel Cavique; João Flores; Amado, Miguel P.; A. Gonçalves-Coelho; António Mourão (Procedia CIRP, 2015)

Preparation and Analysis of Crude Autolytic Enzyme Extracts from Staphylococcus aureus - F. Vaz; S. R. Filipe (Bio-protocol, 2015)

Production of Poly(vinyl alcohol) (PVA) Fibers with Encapsulated Natural Deep Eutectic Solvent (NADES) Using Electrospinning - Francisca Mano; Aroso, Ivo; Barreiros, Susana; Borges, João Paulo; Reis, Rui; Duarte, Ana Rita; Alexandre Paiva (ACS Sustainable Chemistry & Engineering, 2015)
Functionalized electrospun fibers are of great interest for biomedical applications such as in the design of drug delivery systems. Nevertheless, in some cases the molecules of interest have poor solubility in water or have high melting temperatures. These drawbacks can be overcome using deep eutectic solvents. In this work, poly(vinyl alcohol) (PVA), a common biodegradable biopolymer, was used to produce new functionalized fibers with the eutectic mixture choline chloride:citric acid in a molar ratio of (1:1) ChCl:CA (1:1), which was used as a model system. Fibers were produced from an aqueous solution with 7.8% (w/v) and 9.8% (w/v) of 95% hydrolyzed PVA and a 2% (v/v) of ChCl:CA (1:1). Smooth, uniform fibers with an average diameter of 0.4 μm were obtained with a content of 19.8 wt % of ChCl:CA (1:1) encapsulated.

PROFRUTA - Beecaramulo na JORTEC2015 (2015)

Protonation state of the Cu4S2 CuZ site in nitrous oxide reductase: redox dependence and insight into reactivity - Johnston, E. M.; Dell'Acqua, S.; Pauleta, S. R.; Moura, I.; Solomon, E. I. (Chem Sci, 2015)

Rationalizing the role of the anion in CO2 capture and conversion using imidazolium-based ionic liquid modified mesoporous silica - Aquino, A. S.; Bernard, F. L.; Borges, J. V.; Mafra, L.; Dalla Vecchia, F.; Vieira, M. O.; Ligabue, R.; Seferin, M.; Chaban, Vitaly V.; E. J. Cabrita; Einloft, S. (RSC Advances, 2015)
Covalently supported ionic liquids in mesoporous materials were prepared by grafting 1-methyl-3-(3-trimethoxysylilpropyl)imidazolium chloride in MCM-41. Subsequently, the {[}Cl-] anion was changed to {[}BF4-], {[}PF6-] or {[}Tf2N-]. These materials that present an advantageous combination of the properties of mesoporous solid materials and ionic liquids were evaluated for CO2 sorption as well as catalysts for CO2 conversion into cyclic carbonate using propylene oxide. The material with the {[}Cl-] anion had the best performance for both CO2 sorption and conversion. A CO2 sorption of 11 w/w% on the adsorbent was achieved and the cycloaddition reaction exhibited a conversion of 67% with 82% selectivity with the catalyst remaining active after 5 cycles, proving that the same sorbent/catalyst setup can be used for both CO2 capture and conversion. Based on the experimental data and electronic-structure numerical simulations, we have hypothesized two major reasons why chloride out performs other anions when adsorbed on MCM-41 unlike unsupported ionic liquids.
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A reindustrialização de Portugal num contexto de crise e hegemonia industrial dos países emergentes - Nuno Araújo (IET Working Papers Series, 2015)
This working paper aimed to understand the importance and the role of Industry for the Portuguese' economic recovery, integrated in a context of progressive deindustrialisation over the last few years, and simultaneously an impressive growth and domain over some production sectors by emergent countries, associated with the 2008 crisis. We intended to analyse this problematic in both national and European levels, bringing into context the national industry, identifying the causes for the progressive abandon of the industry and its consequences. To identify the main stakeholders and their role on the reindustrialization process. To identify policies and instruments contributing to the promotion of this reindustrialisation and main conclusions.

Robotics Technology Assessment: New Challenges, Implications and Risks - António Brandão Moniz; Michael Decker (The Next Horizon of Technology Assessment, 2015)

Robotics Technology Assessment: New challenges, implications and risks. A session summary - Moniz, António B.; Michael Decker (The Next Horizon of Technology Assessment, 2015)

Robots in surgery: Transformation of work in the operation room - Maia, Maria João; Bettina-Johanna Krings (Practices of innovation and responsibility: Insights from methods, governance and action, 2015)

SERR spectroelectrochemical study of cytochrome cd1 nitrite reductase co-immobilized with physiological redox partner cytochrome c552 on biocompatible metal electrodes - Silveira, C. M.; Quintas, P. O.; Moura, I.; Moura, J. J. G.; Hildebrandt, P.; Almeida, M. G.; Todorovic, S. (Plos One, 2015)

Simulated and Real Sheet-of-Light 3D Object Scanning Using a-Si:H Thin Film PSD Arrays - J. Contreras; J. Tornero; Ferreira, I.; R. Martins; Gomes, L.; E. Fortunato (Sensors, 2015)
A MATLAB/SIMULINK software simulation model (structure and component blocks) has been constructed in order to view and analyze the potential of the PSD (Position Sensitive Detector) array concept technology before it is further expanded or developed. This simulation allows changing most of its parameters, such as the number of elements in the PSD array, the direction of vision, the viewing/scanning angle, the object rotation, translation, sample/scan/simulation time, etc. In addition, results show for the first time the possibility of scanning an object in 3D when using an a-Si:H thin film 128 PSD array sensor and hardware/software system. Moreover, this sensor technology is able to perform these scans and render 3D objects at high speeds and high resolutions when using a sheet-of-light laser within a triangulation platform. As shown by the simulation, a substantial enhancement in 3D object profile image quality and realism can be achieved by increasing the number of elements of the PSD array sensor as well as by achieving an optimal position response from the sensor since clearly the definition of the 3D object profile depends on the correct and accurate position response of each detector as well as on the size of the PSD array.

SnO2 thin Film Oxides Produced by rf Sputtering for Transparent Thermoelectric Devices - M. Ferreira; Loureiro, J.; A. Nogueira; Rodrigues, A.; R. Martins; Ferreira, I. (Mater. Today-Proc, 2015)
The combination of high transparency and good thermoelectric properties of SnO2 can open new field of applications for the thin film thermoelectric materials. Here we report on SnO2 thin films with transmittance above 90%, resistivity bellow 10-3 Ωm and a Power Factor around 10-4 W/m.K2, for a Seebeck of -255 μV/K, at room temperature. The effect of film thickness and post-deposition annealing on the thermoelectric properties were analysed. The performances of a single layer thermoelectric device are also presented.

Space charge and dipolar charge contribution at polar polymers polarization - Neagu, Eugene; Lança, Maria Carmo; Dias, Carlos; Marat-Mendes, José (IEEE Transactions on Dielectrics and Electrical Insulation, 2015)
The thermally stimulated discharge current, the final thermally stimulated discharge current, DC conductivity and the final thermally stimulated discharge current with partially blocking electrode measures were used to analyze electrical behavior of Nylon 11. The objective was to discriminate between dipole related effects and space charge related effects. The space charge effects are dominant in the temperature range from room temperature to 170 °C. By using a Teflon-FEP partially blocking electrode, the space charge injected in the sample is diminished and the effects related to dipole movement can be observed. Beside the two known relaxations for Nylon 11, one associated with the glass transition around 60 °C and a second one associated with a molecular motion in the rigid-amorphous phase at 96 °C, a weak relaxation was observed around 168 °C. The peak around 96 °C is quite broad been composed of two narrow peaks. The final thermally stimulated discharge current method allows a better selection of the experimental conditions for sample charging (polarization) to have only a partial overlap between the nearby peaks. The peak's maximum current and temperature are dependent on the ratio between the charging and discharging time and temperature given a possibility to discriminate between dipolar and space charge effects. A pyroelectric current changes sign around 140 °C indicating that the amidegroup dipoles are frozen in opposite directions when the sample temperature is below 140 °C (amorphous and rigid-amorphous phase) or above (crystalline phase). The conductivity is controlled by the competition between n(E,T) and μ(E,T) indicating a space charge controlled conductivity mechanism.

Staphylococcus aureus survives with a minimal peptidoglycan synthesis machinery but sacrifices virulence and antibiotic resistance - P. Reed; M. L. Atilano; R. Alves; E. Hoiczyk; X. Sher; N. T. Reichmann; P. M. Pereira; T. Roemer; S. R. Filipe; J. B. Pereira-Leal; P. Ligoxygakis; M. G. Pinho (PLoS Pathogens, 2015)

Structural insights into xenobiotic and inhibitor binding to human aldehyde oxidase - Coelho, Catarina; Foti, Alessandro; Tobias, Hartmann; Santos-Silva, Teresa; Leimkühler, Silke; Romão, Maria João (Nature Chemical Biology, 2015)

The structure of PccH from Geobacter sulfurreducens: a novel low reduction potential monoheme cytochrome essential for accepting electrons from an electrode - Dantas, J.M.; Campelo, LM; Duke, N.E.C.; Salgueiro, C.A.; Pokkuluri, P.R. (FEBS J, 2015)
The structure of cytochrome c (GSU3274) designated as PccH from Geobacter sulfurreducens was determined at a resolution of 2.0 Å. PccH is a small (15 kDa) cytochrome containing one c-type heme, found to be essential for the growth of G. sulfurreducens with respect to accepting electrons from graphite electrodes poised at -300 mV versus standard hydrogen electrode. with fumarate as the terminal electron acceptor. The structure of PccH is unique among the monoheme cytochromes described to date. The structural fold of PccH can be described as forming two lobes with the heme sandwiched in a cleft between the two lobes. In addition, PccH has a low reduction potential of -24 mV at pH 7, which is unusual for monoheme cytochromes. Based on difference in structure, together with sequence phylogenetic analysis, we propose that PccH can be regarded as a first characterized example of a new subclass of class I monoheme cytochromes. The low reduction potential of PccH may enable the protein to be redox active at the typically negative potential ranges encountered by G. sulfurreducens. Because PccH is predicted to be located in the periplasm of this bacterium, it could not be involved in the first step of accepting electrons from the electrode but is very likely involved in the downstream electron transport events in the periplasm.

Supporting Multiple Data Replication Models in Distributed Transactional Memory - João A. Silva; Vale, Tiago M.; Ricardo J. Dias; Hervé Paulino; João M. Lourenço (Proceedings of the 2015 International Conference on Distributed Computing and Networking, 2015)
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Synthesis and evaluation of new benzimidazole-based COX inhibitors: a naproxen-like interaction detected by STD-NMR - Carvalho, Luisa C. R.; Ribeiro, Daniela; Seixas, Raquel S. G. R.; Silva, Artur M. S.; Nave, Mariana; Martins, Ana C.; Stefan Erhardt; Fernandes, Eduarda; Cabrita, Eurico J.; Marques, M. Manuel B. (RSC Advances, 2015)
Non-steroidal anti-inflammatory drugs exert their pharmacological activity through inhibition of cyclooxygenase 1 and 2 (COX-1 and COX-2). Recent research suggests that a balanced inhibition of both COX-1 and COX-2 is the key to reduce the side-effects exhibited by COX inhibitors. We developed new benzimidazole-based compounds that showed a balanced COX inhibition, supported by molecular docking screening. The human whole blood assays demonstrated that the ester derivatives were potent inhibitors. Competitive saturation transfer difference (STD)-NMR experiments, in the presence of COX-2, using naproxen and diclofenac demonstrated that ester derivatives do not compete with diclofenac for the same binding site, but compete with the allosteric inhibitor naproxen. Combination of NMR spectroscopy with molecular docking has permitted us to detect a new naproxen-like inhibitor, which could be used for future drug development.
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A Tangled Web: Assessing overlaps between energy and environmental policy instruments along the electricity supply chain - Simoes, S.; Huppes, G.; Seixas, J. (Environmental Policy and Governance, 2015)

Technik und Pflege in einer Gesellschaft des langen Lebens - Einführung in den Schwerpunkt - Bettina-Johanna Krings; Hülsken-Giesler, M (Technikfolgenabschätzung - Theorie und Praxis, 2015)

Thermal and magnetic properties of iron oxide colloids: influence of surfactants - Paula I P Soares; Frederik Lochte; Coro Echeverria; Laura Pereira; Coutinho, Joana; Ferreira, Isabel; Novo, Carlos; Borges, João Paulo (Nanotechnology, 2015)
Iron oxide nanoparticles (NPs) have been extensively studied in the last few decades for several biomedical applications such as magnetic resonance imaging, magnetic drug delivery and hyperthermia. Hyperthermia is a technique used for cancer treatment which consists in inducing a temperature of about 41–45 °C in cancerous cells through magnetic NPs and an external magnetic field. Chemical precipitation was used to produce iron oxide NPs 9 nm in size coated with oleic acid and trisodium citrate. The influence of both stabilizers on the heating ability and in vitro cytotoxicity of the produced iron oxide NPs was assessed. Physicochemical characterization of the samples confirmed that the used surfactants do not change the particles' average size and that the presence of the surfactants has a strong effect on both the magnetic properties and the heating ability. The heating ability of Fe3O4 NPs shows a proportional increase with the increase of iron concentration, although when coated with trisodium citrate or oleic acid the heating ability decreases. Cytotoxicity assays demonstrated that both pristine and trisodium citrate Fe3O4 samples do not reduce cell viability. However, oleic acid Fe3O4 strongly reduces cell viability, more drastically in the SaOs-2 cell line. The produced iron oxide NPs are suitable for cancer hyperthermia treatment and the use of a surfactant brings great advantages concerning the dispersion of NPs, also allowing better control of the hyperthermia temperature.

Thermal and magnetic properties of iron oxide colloids: influence of surfactants - Soares, PIP; F. Lochte; Echeverria, C.; L. C. J. Pereira; J. T. Coutinho; Ferreira, IMM; Novo, CMM; J. P. M. R. Borges (Nanotechnology, 2015)
Iron oxide nanoparticles (NPs) have been extensively studied in the last few decades for several biomedical applications such as magnetic resonance imaging, magnetic drug delivery and hyperthermia. Hyperthermia is a technique used for cancer treatment which consists in inducing a temperature of about 41–45 °C in cancerous cells through magnetic NPs and an external magnetic field. Chemical precipitation was used to produce iron oxide NPs 9 nm in size coated with oleic acid and trisodium citrate. The influence of both stabilizers on the heating ability and in vitro cytotoxicity of the produced iron oxide NPs was assessed. Physicochemical characterization of the samples confirmed that the used surfactants do not change the particles' average size and that the presence of the surfactants has a strong effect on both the magnetic properties and the heating ability. The heating ability of Fe3O4 NPs shows a proportional increase with the increase of iron concentration, although when coated with trisodium citrate or oleic acid the heating ability decreases. Cytotoxicity assays demonstrated that both pristine and trisodium citrate Fe3O4 samples do not reduce cell viability. However, oleic acid Fe3O4 strongly reduces cell viability, more drastically in the SaOs-2 cell line. The produced iron oxide NPs are suitable for cancer hyperthermia treatment and the use of a surfactant brings great advantages concerning the dispersion of NPs, also allowing better control of the hyperthermia temperature.

Urban Planning and Health Inequities: looking in a small-scale in a City of Cape Verde - Luzia Gonçalves; Zélia Santos; Amado, Miguel P.; Isabel Craveiro; J. Cabral; Luis Lapão; Daniela Alves; Rui Simões (PlosOne Journal, 2015)

The use and influence of indicators in decisions about technology innovation: Quantitative results from questionnaires in Portugal - Nuno Boavida (Scientific Knowledge and the Transgression of Boundaries, 2015)

A value-added exopolysaccharide as a coating agent for MRI nanoprobes - Palma, Susana Isabel; Rodrigues, Carlos André; Alexandra Carvalho; M Puerto Morales; Freitas, Filomena; Alexandra R. Fernandes; Cabral, Joaquim Sampaio; Roque, Ana C A (Nanoscale, 2015)
Fucopol, a fucose-containing exopolysaccharide (EPS) produced by the bacterium Enterobacter A47 DSM 23139 using glycerol as a carbon source, was employed as a new coating material for iron oxide magnetic nanoparticles (MNP). The coated particles were assessed as nanoprobes for cell labeling by Magnetic Resonance Imaging (MRI). The MNP were synthesized by a thermal decomposition method and transferred to aqueous medium by ligand-exchange reaction with meso-2,3-dimercaptosuccinic acid (DMSA). Covalent binding of EPS to DMSA-stabilized nanoparticles (MNP-DMSA) resulted in a hybrid magnetic-biopolymeric nanosystem (MNP-DMSA-EPS) with a hydrodynamic size of 170 nm, negative surface charge at physiological conditions and transverse to longitudinal relaxivities ratio, r2/r1, of 148. In vitro studies with two human cell lines (colorectal carcinoma - HCT116 - and neural stem/progenitor cells - ReNcell VM) showed that EPS promotes internalization of nanoparticles in both cell lines. In vitro MRI cell phantoms also showed superior performance of MNP-DMSA-EPS in ReNcell VM, for which iron dose-dependent MRI signal drop was obtained at relatively low iron concentrations (12 - 20 µg Fe/ml) and short incubation time. Furthermore, ReNcell VM multipotency was not affected by culture in the presence of MNP-DMSA or MNP-DMSA-EPS for 14 days. Our study suggests that Fucopol-coated MNP represent useful cell labeling nanoprobes for MRI.

A value-added exopolysaccharide as a coating agent for MRI nanoprobes - Susana I C J Palma; Rodrigues, Carlos A. V.; Freitas, Filomena; Alexandra Carvalho; Alexandra R. Fernandes; Maria del Puerto Morales; Cabral, Joaquim M. S.; Roque, Ana C A (Nanoscale, 2015)
Fucopol, a fucose-containing exopolysaccharide (EPS) produced by the bacterium Enterobacter A47 DSM 23139 using glycerol as a carbon source, was employed as a new coating material for iron oxide magnetic nanoparticles (MNPs). The coated particles were assessed as nanoprobes for cell labeling by Magnetic Resonance Imaging (MRI). The MNPs were synthesized by a thermal decomposition method and transferred to an aqueous medium by a ligand-exchange reaction with meso-2,3-dimercaptosuccinic acid (DMSA). Covalent binding of EPS to DMSA-stabilized nanoparticles (MNP–DMSA) resulted in a hybrid magnetic–biopolymeric nanosystem (MNP–DMSA–EPS) with a hydrodynamic size of 170 nm, a negative surface charge under physiological conditions and transverse to longitudinal relaxivity ratio, r2/r1, of 148. In vitro studies with two human cell lines (colorectal carcinoma – HCT116 – and neural stem/progenitor cells – ReNcell VM) showed that EPS promotes internalization of nanoparticles in both cell lines. In vitro MRI cell phantoms showed a superior performance of MNP–DMSA–EPS in ReNcell VM, for which the iron dose-dependent MRI signal drop was obtained at relatively low iron concentrations (12–20 μg Fe per ml) and short incubation times. Furthermore, ReNcell VM multipotency was not affected by culture in the presence of MNP–DMSA or MNP–DMSA–EPS for 14 days. Our study suggests that Fucopol-coated MNPs represent useful cell labeling nanoprobes for MRI.

Affinity analysis and application of dipeptides derived from l-tyrosine in plasmid purification - Ferreira, Soraia; Carvalho, Josué; Valente, Joana F. A.; Corvo, Marta C.; Cabrita, Eurico J.; Sousa, Fani; João A. Queiroz; Cruz, Carla (Journal of Chromatography B, 2015)
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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, 2015)
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Petrovski, Zeljko/D-7201-2013; Petrovski, Zeljko/0000-0002-8104-7008; Santos, Miguel/0000-0001-8973-1595 0

Aromatic aldehydes at the active site of aldehyde oxidoreductase from Desulfovibrio gigas: reactivity and molecular details of the enzyme-substrate and enzyme-product interaction - Correia, Hugo D.; Marangon, Jacopo; Brondino, Carlos D.; Moura, Jose J. G.; Romao, Maria J.; Gonzalez, Pablo J.; Santos-Silva, Teresa (Journal of Biological Inorganic Chemistry, 2015)
Desulfovibrio gigas aldehyde oxidoreductase (DgAOR) is a mononuclear molybdenum-containing enzyme from the xanthine oxidase (XO) family, a group of enzymes capable of catalyzing the oxidative hydroxylation of aldehydes and heterocyclic compounds. The kinetic studies reported in this work showed that DgAOR catalyzes the oxidative hydroxylation of aromatic aldehydes, but not heterocyclic compounds. NMR spectroscopy studies using C-13-labeled benzaldehyde confirmed that DgAOR catalyzes the conversion of aldehydes to the respective carboxylic acids. Steady-state kinetics in solution showed that high concentrations of the aromatic aldehydes produce substrate inhibition and in the case of 3-phenyl propionaldehyde a suicide substrate behavior. Hydroxyl-substituted aromatic aldehydes present none of these behaviors but the kinetic parameters are largely affected by the position of the OH group. High-resolution crystallographic structures obtained from single crystals of active-DgAOR soaked with benzaldehyde showed that the side chains of Phe(425) and Tyr(535) are important for the stabilization of the substrate in the active site. On the other hand, the X-ray data of DgAOR soaked with trans-cinnamaldehyde showed a cinnamic acid molecule in the substrate channel. The X-ray data of DgAOR soaked with 3-phenyl propionaldehyde showed clearly how high substrate concentrations inactivate the enzyme by binding covalently at the surface of the enzyme and blocking the substrate channel. The different reactivity of DgAOR versus aldehyde oxidase and XO towards aromatic aldehydes and N-heterocyclic compounds is explained on the basis of the present kinetic and structural data.
Times Cited: 0 Romao, Maria/A-4115-2013 Romao, Maria/0000-0002-3004-0543 0

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, 2015)
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Branco, Luis/C-6426-2013; Vilarigues, Marcia/K-8709-2015; Laia, Cesar/I-6280-2013; Raymundo, Anabela/M-9260-2013 Branco, Luis/0000-0003-2520-1151; Vilarigues, Marcia/0000-0003-4134-2819; Laia, Cesar/0000-0001-6410-6072; Raymundo, Anabela/0000-0001-5266-1685 1

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, 2015)
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Lima, Joao/F-3658-2010; Costa, Pedro/J-2962-2013; Diniz, Mario/C-7849-2013; Lima, Joao/0000-0003-0528-1967; Costa, Pedro/0000-0002-9072-3522; Diniz, Mario/0000-0003-1571-0366; Roma-Rodrigues, Catarina/0000-0002-8676-6562 0

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, 2015)
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Cruz, Luis/J-4413-2013; Basilio, Nuno/F-2389-2012; Pina, Fernando/C-8161-2011 Cruz, Luis/0000-0003-2226-0404; Basilio, Nuno/0000-0002-0121-3695; Pina, Fernando/0000-0001-8529-6848 0

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, 2015)
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Carrrera, Goncalo/C-7536-2013 Si 0

A contribution to the rational design of Ru(CO)(3)Cl2L complexes for in vivo delivery of CO - Seixas, Joao D.; Santos, Marino F. A.; Mukhopadhyay, Abhik; Coelho, Ana C.; Reis, Patricia M.; Veiros, Luis F.; Marques, Ana R.; Penacho, Nuno; Goncalves, Ana M. L.; Romao, Maria J.; Bernardes, Goncalo J. L.; Santos-Silva, Teresa; et al. (Dalton Transactions, 2015)
A few ruthenium based metal carbonyl complexes, e.g. CORM-2 and CORM-3, have therapeutic activity attributed to their ability to deliver CO to biological targets. In this work, a series of related complexes with the formula [Ru(CO)(3)Cl2L] (L = DMSO (3), L-H3CSO(CH2)(2)CH(NH2)CO2H) (6a); D,L-H3CSO(CH2)(2)CH-(NH2)CO2H (6b); 3-NC5H4(CH2)(2)SO3.Na (7); 4-NC5H4(CH2)(2)SO3Na (8); PTA (9); DAPTA (10); H3CS-(CH2)(2)CH(OH) CO2H (11); CNCMe2CO2Me (12); CNCMeEtCO2Me (13); CN(c-C3H4)CO2Et) (14)) were designed, synthesized and studied. The effects of L on their stability, CO release profile, cytotoxicity and anti-inflammatory properties are described. The stability in aqueous solution depends on the nature of L as shown using HPLC and LC-MS studies. The isocyanide derivatives are the least stable complexes, and the S-bound methionine oxide derivative is the more stable one. The complexes do not release CO gas to the headspace, but release CO2 instead. X-ray diffraction of crystals of the model protein Hen Egg White Lysozyme soaked with 6b (4UWN) and 8 (4UWV) shows the addition of Ru-II(CO)(H2O)(4) at the His15 binding site. Soakings with 7 (4UWU) produced the metallacarboxylate [Ru(COOH)(CO)(H2O)(3)](+) bound to the His15 site. The aqueous chemistry of these complexes is governed by the water-gas shift reaction initiated with the nucleophilic attack of HO- on coordinated CO. DFT calculations show this addition to be essentially barrierless. The complexes have low cytotoxicity and low hemolytic indices. Following i.v. administration of CORM-3, the in vivo bio-distribution of CO differs from that obtained with CO inhalation or with heme oxygenase stimulation. A mechanism for CO transport and delivery from these complexes is proposed.
Times Cited: 1 Romao, Maria/A-4115-2013 Romao, Maria/0000-0002-3004-0543 1

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, 2015)
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Aguilo, Elisabet/M-2447-2014; Lima, Joao/F-3658-2010; Lima, Joao Carlos/K-2890-2014; Rodriguez, Laura/A-4169-2011; Moro, Artur/C-6689-2013 Aguilo, Elisabet/0000-0002-7171-3812; Lima, Joao/0000-0003-0528-1967; Rodriguez, Laura/0000-0003-1289-1587; Moro, Artur/0000-0003-3285-4919 2

Covalent coupling of gum arabic onto superparamagnetic iron oxide nanoparticles for MRI cell labeling: physicochemical and in vitro characterization - Susana I C J Palma; Alexandra Carvalho; Joana Silva; Pedro Martins; Marzia Marciello; Alexandra R. Fernandes; del Puerto Morales, Maria; Roque, Ana C A (Contrast Media & Molecular Imaging, 2015)
Gum arabic (GA) is a hydrophilic composite polysaccharide derived from exudates of Acacia senegal and Acacia seyal trees. It is biocompatible, possesses emulsifying and stabilizing properties and has been explored as coating agent of nanomaterials for biomedical applications, namely magnetic nanoparticles (MNPs). Previous studies focused on the adsorption of GA onto MNPs produced by co-precipitation methods. In this work, MNPs produced by a thermal decomposition method, known to produce uniform particles with better crystalline properties, were used for the covalent coupling of GA through its free amine groups, which increases the stability of the coating layer. The MNPs were produced by thermal decomposition of Fe(acac)3 in organic solvent and, after ligand-exchange with meso-2,3-dimercaptosuccinic acid (DMSA), GA coating was achieved by the establishment of a covalent bond between DMSA and GA moieties. Clusters of several magnetic cores entrapped in a shell of GA were obtained, with good colloidal stability and promising magnetic relaxation properties (r2/r1 ratio of 350). HCT116 colorectal carcinoma cell line was used for in vitro cytotoxicity evaluation and cell-labeling efficiency studies. We show that, upon administration at the respective IC50, GA coating enhances MNP cellular uptake by 19 times compared to particles bearing only DMSA moieties. Accordingly, in vitro MR images of cells incubated with increasing concentrations of GA-coated MNP present dose-dependent contrast enhancement. The obtained results suggest that the GA magnetic nanosystem could be used as a MRI contrast agent for cell-labeling applications. Copyright © 2015 John Wiley & Sons, Ltd.
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Keywords: cell labeling; colorectal carcinoma; DMSA; gum arabic; HCT116 cell line; in vitro MRI; iron oxide magnetic nanoparticles; Magnetic resonance imaging

Design of oligoaziridine-PEG coatings for efficient nanogold cellular biotagging - Silva, A. Sofia; Bonifacio, Vasco D. B.; Raje, Vivek P.; Branco, Paula S.; Machado, Paulo F. B.; Correia, Ilidio J.; Aguiar-Ricardo, Ana (RSC ADVANCES, 2015)
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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, 2015)
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Dionisio, Madalena/D-1946-2013 Dionisio, Madalena/0000-0002-1487-0889 0

Economic Impacts of Future Changes in the Energy System—Global Perspectives - Glynn, James; Patrícia Fortes; Krook-Riekkola, Anna; Labriet, Maryse; Vielle, Marc; Kypreos, Socrates; Lehtilä, Antti; Mischke, Peggy; Dai, Hancheng; Gargiulo, Maurizio; Helgesen, PerIvar; Kober, Tom; et al. (Informing Energy and Climate Policies Using Energy Systems Models, 2015)
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Economic Impacts of Future Changes in the Energy System—National Perspectives - Glynn, James; Patrícia Fortes; Krook-Riekkola, Anna; Labriet, Maryse; Vielle, Marc; Kypreos, Socrates; Lehtilä, Antti; Mischke, Peggy; Dai, Hancheng; Gargiulo, Maurizio; Helgesen, PerIvar; Kober, Tom; et al. (Informing Energy and Climate Policies Using Energy Systems Models, 2015)
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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, 2015)
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Lima, Joao/F-3658-2010; Macanita, Antonio/H-9284-2012; Freitas, Adilson/H-7846-2012; Lima, Joao Carlos/K-2890-2014 Lima, Joao/0000-0003-0528-1967; Macanita, Antonio/0000-0003-0976-6654; Freitas, Adilson/0000-0002-6119-9602; 0

Effects of phase transfer ligands on monodisperse iron oxide magnetic nanoparticles - Palma, S. I.; Marciello, M.; Carvalho, A.; Veintemillas-Verdaguer, S.; Morales Mdel, P.; Roque, A C (J Colloid Interface Sci, 2015)
Oleic acid coated iron oxide nanoparticles synthesized by thermal decomposition in organic medium are highly monodisperse but at the same time are unsuitable for biological applications. Ligand-exchange reactions are useful to make their surface hydrophilic. However, these could alter some structural and magnetic properties of the modified particles. Here we present a comprehensive study and comparison of the effects of employing either citric acid (CA) or meso-2,3-dimercaptosuccinic acid (DMSA) ligand-exchange protocols for phase transfer of monodisperse hydrophobic iron oxide nanoparticles produced by thermal decomposition of Fe(acac)3 in benzyl ether. We show the excellent hydrodynamic size distribution and colloidal stability of the hydrophilic particles obtained by the two protocols and confirm that there is a certain degree of oxidation caused by the ligand-exchange. CA revealed to be more aggressive towards the iron oxide surface than DMSA and greatly reduced the saturation magnetization values and initial susceptibility of the resulting particles compared to the native ones. Besides being milder and more straightforward to perform, the DMSA ligand exchange protocol produces MNP chemically more versatile for further functionalization possibilities. This versatility is shown through the covalent linkage of gum Arabic onto MNP-DMSA using carboxyl and thiol based chemical routes and yielding particles with comparable properties.
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Keywords: Colloids Ferric Compounds/*chemistry Ligands *Magnetics Metal Nanoparticles/*chemistry Citric acid Colloidal stability Dmsa Gum Arabic Ligand-exchange Magnetization Superparamagnetic iron oxide nanoparticles

Electrochromic Devices Based on Disubstituted Oxo-Bipyridinium Ionic Liquids - Jordao, Noemi; Cruz, Hugo; Branco, Aida; Pina, Fernando; Branco, Luis C. (Chempluschem, 2015)
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Jordao, Noemi/C-6742-2013; Branco, Luis/C-6426-2013; Pina, Fernando/C-8161-2011 Jordao, Noemi/0000-0001-9769-1976; Branco, Luis/0000-0003-2520-1151; Pina, Fernando/0000-0001-8529-6848 1

Energy Policies Influenced by Energy Systems Modelling—Case Studies in UK, Ireland, Portugal and G8 - Alessandro Chiodi; Peter G. Taylor; Júlia Seixas; Simões, Sofia; Patrícia Fortes; Gouveia, JoãoP.; Luís Dias; Brian ÓGallachóir (Informing Energy and Climate Policies Using Energy Systems Models, 2015)
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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, 2015)
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Linhares, Joao/M-7020-2013; Vilarigues, Marcia/K-8709-2015; Amano, Kinjiro/A-8263-2011 Linhares, Joao/0000-0001-9197-5134; Vilarigues, Marcia/0000-0003-4134-2819; Amano, Kinjiro/0000-0001-7992-9418 5th International Computational Color Imaging Workshop (CCIW) Mar 24-26, 2015 Saint Etienne, FRANCE Univ Jean Monnet; Univ Milano Bicocca; Chiba Univ, Grad Sch Adv Integrat Sci; Int Assoc Pattern Recognit; Groupe Francais de lImagerie Numerique Couleur; Assoc Francaise Reconnaissance lInterpretation Formes; Lab Hubert Curien; Telecom Saint Etienne; COSCH action; Saint Etienne Metropole 0302-9743

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, 2015)
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Basilio, Nuno/F-2389-2012; Laia, Cesar/I-6280-2013; Pina, Fernando/C-8161-2011 Basilio, Nuno/0000-0002-0121-3695; Laia, Cesar/0000-0001-6410-6072; Pina, Fernando/0000-0001-8529-6848 Si 2

Fe(III) salEen derived Schiff base complexes as potential contrast agents - Cardoso, B. D.; Vicente, A. I.; Ward, J. B. J.; Sebastiao, P. J.; Chavez, F. V.; Barroso, S.; Carvalho, A.; Keely, S. J.; Martinho, P. N.; Calhorda, M. J. (Inorganica Chimica Acta, 2015)
Three iron(III) complexes with ligands derived from N-ethyl-N-(2-aminoethyl) salicylaldiminate (H, 1; 5-Br, 2; 3-OMe, 3 substituents at the phenyl group) were prepared and the X-ray crystal structures of 1 and 2 are reported. NMR studies of solutions of these complexes in DMSO allowed for investigation of their magnetic behaviour and paramagnetic relaxation contribution. The relaxivities measured ranged from 0.35 to 0.80 mM(-1) s(-1) for proton Larmor frequencies from 0.01 to 300 MHz, in agreement with those known for other iron(III) based contrast agents. Biological studies on colonic epithelial T-84 cell monolayers showed that the compounds exert toxic effects only at concentrations higher than 100 mu M while coincidently reducing colonic epithelial secretory function. These two features make these complexes good candidates for further development in order to be used as MRI contrast agents. (C) 2015 Elsevier B.V. All rights reserved.
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Keywords: fe(iii) complexes evans' method contrast agent nmrd cell toxicity nephrogenic systemic fibrosis nuclear-magnetic-resonance molecular-orbital methods gaussian-type basis spin-crossover chloride secretion organic-molecules imaging memri mri paracest

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, 2015)
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Moro, Artur/C-6689-2013; Basilio, Nuno/F-2389-2012; Pina, Fernando/C-8161-2011; Gago, Sandra/H-5413-2012 Moro, Artur/0000-0003-3285-4919; Basilio, Nuno/0000-0002-0121-3695; Pina, Fernando/0000-0001-8529-6848; Gago, Sandra/0000-0003-0221-8508 0

Fresh-cut melon quality during storage: An NMR study of water transverse relaxation time - Fundo, J. F.; Amaro, A. L.; Madureira, A. R.; Carvalho, A.; Feio, G.; Silva, C. L. M.; Quintas, M. A. C. (Journal of Food Engineering, 2015)
Molecular mobility is a fundamental parameter which reflects the dynamic properties of food components and contributes to food degradation reactions comprehension. Fresh-cut fruits have become an important food market segment. However, processing of fruits promotes faster its physiological deterioration, biochemical changes and microbial degradation. The purpose of this work was to use NMR methodology as a tool to evaluate fresh-cut fruit quality, during storage at refrigerated conditions. The fresh-cut melon transverse relaxation time (T-2) was measured for a period of 7 days of storage at 5 degrees C. The relationship between the obtained values, microstructure and quality parameters was investigated. In general, results show the existence of one class of water fluidity in the system, the one present in cells after processing. T-2, a measure of this fluidity, is affected by the processing and storage time. Also, it is possible to find a close relationships between T-2 and quality parameters of total colour difference (TCD), firmness and a(w). As T-2 increases TCD also increases, while firmness and aw decrease. These results highlight the usefulness of NMR methodology application in food science. (C) 2015 Elsevier Ltd. All rights reserved.
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Keywords: fresh-cut melon storage quality parameters molecular mobility nmr molecular mobility chitosan films food systems vegetables fruit dehydration cantaloupe glycerol texture h-1-nmr

A Global Renewable Energy Roadmap: Comparing Energy Systems Models with IRENA’s REmap 2030 Project - Kempener, Ruud; Assoumou, Edi; Alessandro Chiodi; Ciorba, Umberto; Gaeta, Maria; Gielen, Dolf; Hamasaki, Hiroshi; Amit Kanudia; Kober, Tom; Labriet, Maryse; Maïzi, Nadia; Brian ÓGallachóir; et al. (Informing Energy and Climate Policies Using Energy Systems Models, 2015)
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Gold nanoparticle-siRNA mediated oncogene knockdown at RNA and protein level, with associated gene effects - Child, Hannah Winifred; Yulan Hernandez; Conde, Joao; Mullin, Margaret; Pedro Baptista; Maria de la Fuente, Jesus; Berry, Catherine Cecilia (Nanomedicine, 2015)
Aims: RNAi is a powerful tool for gene silencing that can be used to reduce undesirable overexpression of oncogenes as a novel form of cancer treatment. However, when using RNAi as a therapeutic tool there is potential for associated gene effects. This study aimed to utilize gold nanoparticles to deliver siRNA into HeLa cells. Results: Knockdown of the c-myc oncogene by RNAi, at the RNA, protein and cell proliferation level was achieved, while also identifying associated gene responses. Discussion: The gold nanoparticles used in this study present an excellent delivery platform for siRNA, but do note associated gene changes. Conclusion: The study highlights the need to more widely assess the cell physiological response to RNAi treatment, rather than focus on the immediate RNA levels.
Engineering & Physical Sciences Research Council (EPSRC) (EP/H006885/1)
Keywords: Apoptosis; BREAST-CANCER; c-Myc; C-MYC AMPLIFICATION; cell cycle; cell delivery; Cell Proliferation; DNA; gene knockdown; glutathione; Gold nanoparticles; HUMAN-CELLS; IN-VITRO; INTERFERENCE; INTRACELLULAR DELIVERY; knockdown; nanoparticles; off-target effects; proliferation; RNAi; siRNA; TARGET; therapy

Impact of cultivation of Mastocarpus stellatus in IMTA on the seaweeds chemistry and hybrid carrageenan properties - Azevedo, G.; Domingues, B.; Abreu, H.; Sousa-Pinto, I.; Feio, G.; Hilliou, L. (Carbohydr Polym, 2015)
The biomass yield potential of Mastocarpus stellatus, a commercially attractive carrageenophyte for foods and pharmaceutics, was investigated by cultivating the seaweeds in the nutrient-rich outflow of a commercial fish farm. Results from two consecutive 4 weeks experiments indicate that the cultivation of this seaweed produces a mean biomass of 21 to 40.6 gDW m(-2) day(-1) depending on the time of the experiment. DRIFT and CP-MAS NMR analyses of seaweeds indicate that cultivation during May affected quantitatively the seaweeds chemistry, and thus the chemical and gelling properties of native extracts of kappa/iota-hybrid carrageenan (KI). Overall, algal growth leads to the production of more sulphated KI, the percentage increase varying between 27% and 44% for the two experiments. However, alkali treatment of seaweeds before extraction reduces the variations in gelling properties of KI induced by the algal growth. This study demonstrates the capacity of growing M. stellatus in an integrated multi-trophic aquaculture system for the sustainable production of high value polysaccharides.
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Keywords: Animals Aquaculture Carbon-13 Magnetic Resonance Spectroscopy *Carrageenan/chemistry/isolation & purification/metabolism Elasticity Fishes Gels/chemistry *Rhodophyta/chemistry/growth & development/metabolism *Seaweed/chemistry/growth & development/metabol

Improved Representation of the European Power Grid in Long Term Energy System Models: Case Study of JRC-EU-TIMES - Nijs, Wouter; Simoes, Sofia; Sgobbi, Alessandra; Ruiz-Castello, Pablo; Thiel, Christian; George Giannakidis; Mantzaris, John; Tigas, Kostas; Dimitroulas, Dionisios; Georgilakis, Pavlos; Vournas, Costas (Informing Energy and Climate Policies Using Energy Systems Models, 2015)
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An in silico and chemical approach towards small protein production and application in phosphoproteomics - Ana M G C Dias; Iranzo, Olga; Roque, Ana C A (RSC Adv., 2015)
The human Pin1 WW domain (hPin1_WW) is a 38 residue protein which specifically recognizes ligands rich in proline and phosphorylated in Ser and Thr residues. This work presents a protocol for the improved chemical synthesis and modification of this protein through automated microwave assisted synthesis combined with the incorporation of pseudoproline units in the protein sequence. After purification{,} the protein was characterized by Mass Spectrometry and Circular Dichroism spectroscopy with results comparable to the same WW domain chemically synthesized by other strategies or biologically expressed. The protein was further immobilized on a matrix and tested for the selective binding and mild elution of phosphorylated sequences at Ser{,} Thr and Tyr residues. These results suggest that hPin1_WW is a useful protein scaffold for the purification of phosphorylated species in pTyr and pSer{,} which can be easily produced and modified by chemical methods.
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Insights into the structural determinants of substrate specificity and activity in mouse aldehyde oxidases - Cerqueira, Nuno M. F. S. A.; Coelho, Catarina; Bras, Natercia F.; Fernandes, Pedro A.; Garattini, Enrico; Terao, Mineko; Romao, Maria Joao; Ramos, Maria Joao (Journal of Biological Inorganic Chemistry, 2015)
In this work, a combination of homology modeling and molecular dynamics (MD) simulations was used to investigate the factors that modulate substrate specificity and activity of the mouse AOX isoforms: mAOX1, mAOX2 (previously mAOX3l1), mAOX3 and mAOX4. The results indicate that the AOX isoform structures are highly preserved and even more conserved than the corresponding amino acid sequences. The only differences are at the protein surface and substrate-binding site region. The substrate-binding site of all isoforms consists of two regions: the active site, which is highly conserved among all isoforms, and a isoform-specific region located above. We predict that mAOX1 accepts a broader range of substrates of different shape, size and nature relative to the other isoforms. In contrast, mAOX4 appears to accept a more restricted range of substrates. Its narrow and hydrophobic binding site indicates that it only accepts small hydrophobic substrates. Although mAOX2 and mAOX3 are very similar to each other, we propose the following pairs of overlapping substrate specificities: mAOX2/mAOX4 and mAOX3/mAXO1. Based on these considerations, we propose that the catalytic activity between all isoforms should be similar but the differences observed in the binding site might influence the substrate specificity of each enzyme. These results also suggest that the presence of several AOX isoforms in mouse allows them to oxidize more efficiently a wider range of substrates. This contrasts with the same or other organisms that only express one isoform and are less efficient or incapable of oxidizing the same type of substrates.
Times Cited: 0 Romao, Maria/A-4115-2013; Coelho, Catarina /D-2073-2013 Romao, Maria/0000-0002-3004-0543; Coelho, Catarina /0000-0003-1852-5406 0

Ionic-Liquid-Functionalized Mineral Particles for Protein Crystallization - Kowacz, M.; Marchel, M.; Juknaite, L.; Esperanca, Jmss; Romao, M. J.; Carvalho, A. L.; Rebelo, L. P. N. (Crystal Growth & Design, 2015)
Nucleation is a critical step determining the outcome of the entire crystallization process. Finding an effective nucleant for protein crystallization is of utmost importance for structural biology. The latter relies on good-quality crystals to solve the three-dimensional structures of macromolecules. In this study we show that crystalline barium sulfate (BaSO4) with an etched and/or ionic liquid (IL)-functionalized surface (1) can induce protein nucleation at concentrations well below the concentration needed to promote crystal growth under control conditions, (2) can shorten the nucleation time, (3) can increase the growth rate, and finally (4) may help to improve the protein crystal morphology. These effects were shown for lysozyme, RNase A, trypsin, proteinase K, myoglobin, and hemoglobin. Therefore, the use of BaSO4 particles enables us to reduce the amount of protein in crystallization trials and increases the chance of obtaining protein crystals of the desired quality. In the context of the underlying mechanism, it is shown that the protein-solid contact formation is governed by the interaction of the polar compartments of the biomacromolecule with the support. The tendency of a protein to concentrate near the solid surface is enhanced by both the hydrophobicity of the protein and that of the surface (tuned by the functionalizing IL). These mechanisms of interaction of biomacromolecules with inorganic hydrophilic solids correspond to the principles of amphiphilic IL-mineral interactions.
ISI Document Delivery No.: CK0JB Times Cited: 0 Cited Reference Count: 42 Kowacz, M. Marchel, M. Juknaite, L. Esperanca, J. M. S. S. Romao, M. J. Carvalho, A. L. Rebelo, L. P. N. Esperanca, Jose/B-5116-2008; Esperanca, Jose/0000-0001-9615-8678; Marchel, Mateusz/0000-0002-2274-1139; Juknaite, Lina/0000-0002-5739-7788 Fundacao para a Ciencia e a Tecnologia (FCT), Portugal [PTDC/BBB-BEP/3058/2012, PEst-OE/EQB/LA0004/2013, UID/Multi/04378/2013, PEst-C/EQB/LA0006/2013, RECI/BBB-BEP/0124/2012, SFRH/BPD/63554/2009]; Investigator FCT Program; COMPETE Program The authors thank Dr. Teresa Santos-Silva and Ph.D. student Hugo Correia for kindly providing the crystallization conditions for bovine blood hemoglobin and pancreatic trypsin. The authors acknowledge financial support from Fundacao para a Ciencia e a Tecnologia (FCT), Portugal, through R&D Projects PTDC/BBB-BEP/3058/2012, PEst-OE/EQB/LA0004/2013 (to ITQB), UID/Multi/04378/2013, PEst-C/EQB/LA0006/2013 (to Associate Lab UCIBIO-REQUIMTE), and RECI/BBB-BEP/0124/2012 and also through a postdoctoral grant (SFRH/BPD/63554/2009) and a contract under the Investigator FCT 2012 Program and the COMPETE Program. The authors also thank the ESRF (Grenoble, France) and the Diamond Light Source (Didcot, U.K.) for access to data collection facilities. 9 Amer chemical soc Washington 1528-7505
Keywords: heterogeneous nucleation crystal nucleation adsorption stability surfaces water lysozyme fluorescence polystyrene suspensions Chemistry Crystallography Materials Science

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, 2015)
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Pina, Fernando/C-8161-2011; Basilio, Nuno/F-2389-2012 Pina, Fernando/0000-0001-8529-6848; Basilio, Nuno/0000-0002-0121-3695 0

Molecular interaction studies revealed the bifunctional behavior of triheme cytochrome PpcA from Geobacter sulfurreducens toward the redox active analog of humic substances - Joana M Dantas; Oleksandr Kokhan; P Raj Pokkuluri; Salgueiro, , Carlos A. (Biochimica et Biophysica Acta (BBA) - Bioenergetics, 2015)
Abstract Humic substances (HS) constitute a significant fraction of natural organic matter in terrestrial and aquatic environments and can act as terminal electron acceptors in anaerobic microbial respiration. Geobacter sulfurreducens has a remarkable respiratory versatility and can utilize the \{HS\} analog anthraquinone-2,6-disulfonate (AQDS) as a terminal electron acceptor or its reduced form (AH2QDS) as an electron donor. Previous studies set the triheme cytochrome PpcA as a key component for \{HS\} respiration in G. sulfurreducens, but the process is far from fully understood. In this work, \{NMR\} chemical shift perturbation measurements were used to map the interaction region between PpcA and AH2QDS, and to measure their binding affinity. The results showed that the \{AH2QDS\} binds reversibly to the more solvent exposed edge of PpcA heme IV. The \{NMR\} and visible spectroscopies coupled to redox measurements were used to determine the thermodynamic parameters of the PpcA:quinol complex. The higher reduction potential of heme İV\} (− 127 mV) compared to that of \{AH2QDS\} (− 184 mV) explains why the electron transfer is more favorable in the case of reduction of the cytochrome by the quinol. The clear evidence obtained for the formation of an electron transfer complex between \{AH2QDS\} and PpcA, combined with the fact that the protein also formed a redox complex with AQDS, revealed for the first time the bifunctional behavior of PpcA toward an analog of the HS. Such behavior might confer selective advantage to G. sulfurreducens, which can utilize the \{HS\} in any redox state available in the environment for its metabolic needs.
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Keywords: Electron transfer

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, 2015)
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Restolho, Jose/B-6330-2013; Colaco, Rogerio/B-5432-2013; Branco, Luis/C-6426-2013 Restolho, Jose/0000-0002-2033-6746; Colaco, Rogerio/0000-0001-7374-6741; Branco, Luis/0000-0003-2520-1151 0

Origin of the Metastable Stability in Flavylium Multistate Systems - Vesselin Petrov; Slavcheva, Stoyanka; Stanimirov, Stanislav; Pina, Fernando (Journal of Physical Chemistry A, 2015)
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Pina, Fernando/C-8161-2011; Pina, Fernando/0000-0001-8529-6848; Petrov, Vesselin/0000-0003-4503-4602 0

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, 2015)
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Lima, Joao/F-3658-2010; Galvao, Adelino/H-7730-2012; Freitas, Adilson/H-7846-2012; Institute of Chemistry - USP, Dept. of Chemistry/B-8988-2012; Lima, Joao Carlos/K-2890-2014 Lima, Joao/0000-0003-0528-1967; Galvao, Adelino/0000-0002-4740-0613; Freitas, Adilson/0000-0002-6119-9602; 1

Photorheological Ionic Liquids - Avo, Joao; Cidade, M.T.; Rodriguez, Vincent; Lima, Joao C.; Jorge Parola, A. (Journal of Physical Chemistry B, 2015)
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Lima, Joao Carlos/K-2890-2014; Lima, Joao/F-3658-2010; Avo, Joao/C-6939-2013; Rodriguez, Vincent/B-9163-2008; Cidade, Maria Teresa/H-7462-2013 Lima, Joao/0000-0003-0528-1967; Avo, Joao/0000-0002-3380-748X; Rodriguez, Vincent/0000-0001-6804-9757; Cidade, Maria Teresa/0000-0001-8261-6754 0

Prediction of reverse electrodialysis performance by inclusion of 2D fluorescence spectroscopy data into multivariate statistical models - Sylwin Pawlowski; Claudia F. Galinha; João G. Crespo; Velizarov, Svetlozar (Separation and Purification Technology, 2015)
The power density obtainable by a reverse electrodialysis (RED) stack decreases along its operating period due to fouling; however this effect is not accounted for by the so far proposed mechanistic models. Recently, it has been demonstrated that 2D fluorescence spectroscopy can capture the time evolvement of ion-exchange membrane fouling. In this work multivariate statistical modeling was performed, by using the projection to latent structure (PLS) approach, to predict relevant RED stack performance parameters: pressure drop, stack electric resistance and net power density. Several PLS models, with and without 2D fluorescence data as models inputs, were developed. It was found that inclusion of fluorescence data considerably improved the models fitting, because the otherwise missing information about the dynamic state of ion-exchange membranes was added. Additionally, the coefficients of the optimized models revealed important contributions of some of the input parameters to the predicted outputs and allowed to mathematically confirm the qualitative observations that fouling of anion-exchange membranes facing river water is the main factor affecting the RED stack performance. This work confirms the applicability of 2D fluorescence spectroscopy for monitoring of fouling in RED stacks and demonstrates the ability of simple, statistically based models to follow RED performance.
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Keywords: 2D fluorescence spectroscopy; Fouling monitoring; Ion-exchange membranes; PLS modeling; Reverse electrodialysis (RED)

Purification of human antibodies from animal cell cultures using gum arabic coated magnetic particles - Alves, Bruno Martins; Luís Borlido; Rosa, Sara A.S.L.; Silva, Marta F.F.; Aires-Barros, Maria Raquel; Roque, Ana C A; Ana M Azevedo (Journal of Chemical Technology & Biotechnology, 2015)
BACKGROUND The emergence of monoclonal antibodies (mAbs) as new biopharmaceutical products requires the development of new purification methods that are not only effective but are able to reduce production costs. To address the problematic recovery of mAbs, gum arabic (GA) coated magnetic particles (MPs) were used for the purification of human antibodies from animal cells supernatants. RESULTS MPs were synthesized via co-precipitation and exhibited a spherical-like physical aspect, with an average hydrodynamic diameter of 473 nm and a zeta potential of –26 mV. The adsorption and elution of IgG on these adsorbents was thoroughly studied. Adsorption of human IgG was enhanced at pH 6, for which a qmax of 244 mg IgG g−1 MPs and Kd of 25 mg L−1 were obtained. Increasing salt concentrations at a basic pH (1 mol L−1 NaCl at pH 11) were found to improve the elution of bound IgG. The MPs were challenged with an artificial protein mixture containing human IgG, albumin, insulin and apo-transferrin. An overall yield of 84% was achieved, retrieving 92% of bound IgG. CONCLUSIONS MPs were successfully used for the capture of monoclonal antibodies from two distinct mammalian cell cultures, a Chinese hamster ovary (CHO) and a hybridoma cell culture supernatants. The elution yields were high, ranging between 84% and 94%, with overall yields ranging from 72% to 88%. Final purities of 85% were reached for hybridoma cell supernatants. © 2014 Society of Chemical Industry
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Keywords: animal cells; bioprocesses; bioseparations; human antibodies; magnetic particles; pharmaceuticals; process development; Purification

A Rational Approach to CO2 Capture by Imidazolium Ionic Liquids: Tuning CO2 Solubility by Cation Alkyl Branching - Corvo, Mc; Sardinha, J.; T. Casimiro; Marin, G.; Seferin, M.; Einloft, S.; Menezes, S. C.; Dupont, J.; E. J. Cabrita (ChemSusChem, 2015)
Branching at the alkyl side chain of the imidazolium cation in ionic liquids (ILs) was evaluated towards its effect on carbon dioxide (CO2 ) solubilization at 10 and 80 bar (1 bar=1x10(5) Pa). By combining high-pressure NMR spectroscopy measurements with molecular dynamics simulations, a full description of the molecular interactions that take place in the IL-CO2 mixtures can be obtained. The introduction of a methyl group has a significant effect on CO2 solubility in comparison with linear or fluorinated analogues. The differences in CO2 solubility arise from differences in liquid organization caused by structural changes in the cation. ILs with branched cations have similar short-range cation-anion orientations as those in ILs with linear side chains, but present differences in the long-range order. The introduction of CO2 does not cause perturbations in the former and benefits from the differences in the latter. Branching at the cation results in sponge-like ILs with enhanced capabilities for CO2 capture.
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Keywords: Alkanes/*chemistry Carbon Dioxide/*chemistry/isolation & purification Diffusion Imidazoles/*chemistry Ionic Liquids/*chemistry Molecular Conformation Molecular Dynamics Simulation Solubility Solvents/chemistry NMR spectroscopy carbon dioxide fixation ioni

Rational engineering of Geobacter sulfurreducens electron transfer components: a foundation for building improved Geobacter-based bioelectrochemical technologies - Dantas, Joana; Leonor Morgado; Aklujkar, Muktak; Bruix, Marta; Londer, Yuri; Schiffer, Marianne; P Raj Pokkuluri; Salgueiro, Carlos (Frontiers in Microbiology, 2015)
Multiheme cytochromes have been implicated in Geobacter sulfurreducens (Gs) extracellular electron transfer (EET). These proteins are potential targets to improve EET and enhance bioremediation and electrical current production by Gs. However, the functional characterization of multiheme cytochromes is particularly complex due to the co-existence of several microstates in solution, connecting the fully reduced and fully oxidized states. Over the last decade, new strategies have been developed to characterize multiheme redox proteins functionally and structurally. These strategies were used to reveal the functional mechanism of Gs multiheme cytochromes and also to identify key residues in these proteins for EET. In previous studies, we set the foundations for enhancement of the EET abilities of Gs by characterizing a family of five triheme cytochromes (PpcA-E). These periplasmic cytochromes are implicated in electron transfer between the oxidative reactions of metabolism in the cytoplasm and the reduction of extracellular terminal electron acceptors at the cell’s outer surface. The results obtained suggested that PpcA can couple e-/H+ transfer, a property that might contribute to the proton electrochemical gradient across the cytoplasmic membrane for metabolic energy production. The structural and functional properties of PpcA were characterized in detail and used for rational design of a family of 23 single site PpcA mutants. In this review, we summarize the functional characterization of the native and mutant proteins. Mutants that retain the mechanistic features of PpcA and adopt preferential e-/H+ transfer pathways at lower reduction potential values compared to the wild-type protein were selected for in vivo studies as the best candidates to increase the electron transfer rate of Gs. For the first time Gs strains have been manipulated by the introduction of mutant forms of essential proteins with the aim to develop and improve bioelectrochemical technologies.
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Relationship between molecular mobility, microstructure and functional properties in chitosan/glycerol films - Fundo, J. F.; Carvalho, A.; Feio, G.; Silva, C. L. M.; Quintas, M. A. C. (Innovative Food Science & Emerging Technologies, 2015)
Foods are partially crystalline partially amorphous systems. Edible films are considered good models for food systems due to their interesting physical properties, quite straightforward matrices, and easy reproduction. Chitosan is a semicrystalline biopolymer, biocompatible, biodegradable, with antimicrobial activity and filmogenic properties, thoroughly used in edible films' studies. This work aims to investigate the relationship between chitosan films' molecular relaxation time, their microstructure (crystallinity) and functional properties. Analyses were carried out using data on chitosan/glycerol films prepared with different polymer/plasticisant concentrations. Results demonstrate that there is a relationship between macroscopic properties and water and glycerol relaxation times. Moreover, results show that while water is free in the matrix, glycerol is linked to the chitosan polymeric chains, decreasing intermolecular attractions and increasing free volume, thus facilitating molecular migration. Also the data analysis reveals the usefulness of NMR and molecular mobility studies in the matrix for characterisation and development of polymeric structures. Industrial relevance: NMR spectroscopy is currently one of the key methods for food characterisation. Foodstuff is a complex matrix including many different compounds with different chemical structures, concentrations, solubility, properties and nutritional values. From a fundamental perspective, foods are mainly edible and digestible biopolymers that are partially crystalline/partially amorphous and thus edible films, specifically chitosan/glycerol films can be very interesting food model systems for mobility and microstructure studies. Studies on water and solids' mobility and thermo-mechanical properties in food systems (real or model systems),are fundamental to fully attain food physical properties and stability. These studies may be extremely useful for food product and process design, safety and sensorial attributes and also for better understanding and predicting, for example, food storage stability conditions. (C) 2015 Elsevier Ltd. All rights reserved.
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Keywords: macroscopic properties microscopic properties polymeric matrices nmr and molecular mobility studies chitosan films edible films semicrystalline polymers glycerol deacetylation spectroscopy permeability weight

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, 2015)
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Branco, Luis/C-6426-2013; Carrrera, Goncalo/C-7536-2013; Jordao, Noemi/C-6742-2013; Branco, Luis/0000-0003-2520-1151; Jordao, Noemi/0000-0001-9769-1976; Santos, Miguel/0000-0001-8973-1595 0

Rheo-NMR study of water-based cellulose liquid crystal system at high shear rates - Echeverria, C.; P. L. Almeida; Feio, G.; J. L. Figueirinhas; Rey, A. D.; M. H. Godinho (Polymer, 2015)
Since long ago cellulosic lyotropic liquid crystals were thought as potential materials to produce fibers competitive with spidersilk or Kevlar, yet the processing of high modulus materials from cellulose-based precursors was hampered by their complex rheological behavior. In this work, by using the Rheo-NMR technique, which combines deuterium NMR with rheology, we investigate the high shear rate regimes that may be of interest to the industrial processing of these materials. Whereas the low shear rate regimes were already investigated by this technique in different works [1-4], the high shear rates range is still lacking a detailed study. This work focuses on the orientational order in the system both under shear and subsequent relaxation process arising after shear cessation through the analysis of deuterium spectra from the deuterated solvent water. At the analyzed shear rates the cholesteric order is suppressed and a flow-aligned nematic is observed which for the higher shear rates develops after certain time periodic perturbations that transiently annihilate the order in the system. During relaxation the flow aligned nematic starts losing order due to the onset of the cholesteric helices leading to a period of very low order where cholesteric helices with different orientations are forming from the aligned nematic, followed in the final stage by an increase in order at long relaxation times corresponding to the development of aligned cholesteric domains. This study sheds light on the complex rheological behavior of chiral nematic cellulose-based systems and opens ways to improve its processing. (C) 2015 Elsevier Ltd. All rights reserved.
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Keywords: cellulose liquid crystal rheo-nmr molecular-orientation hydroxypropylcellulose solutions rodlike polymers band textures flows phase state temperature transient deuteron

RNAi-based glyconanoparticles trigger apoptotic pathways for in vitro and in vivo enhanced cancer-cell killing - João Conde; Furong Tian; Yulan Hernandez; Chenchen Bao; Baptista, Pedro Miguel Ribeiro Viana; Daxiang Cui; Tobias Stoeger; {de la Fuente}, Jesus M. (Nanoscale, 2015)
Gold glyconanoparticles (GlycoNPs) are full of promise in areas like biomedicine, biotechnology and materials science due to their amazing physical, chemical and biological properties. Here, siRNA GlycoNPs (AuNP@PEG@Glucose@siRNA) in comparison with PEGylated GlycoNPs (AuNP@PEG@Glucose) were applied in vitro to a luciferase-CMT/167 adenocarcinoma cancer cell line and in vivo via intratracheal instillation directly into the lungs of B6 albino mice grafted with luciferase-CMT/167 adenocarcinoma cells. siRNA GlycoNPs but not PEGylated GlycoNPs induced the expression of pro-apoptotic proteins such as Fas/CD95 and caspases 3 and 9 in CMT/167 adenocarcinoma cells in a dose dependent manner, independent of the inflammatory response, evaluated by bronchoalveolar lavage cell counting. Moreover, in vivo pulmonary delivered siRNA GlycoNPs were capable of targeting c-Myc gene expression (a crucial regulator of cell proliferation and apoptosis) via in vivo RNAi in tumour tissue, leading to an similar to 80% reduction in tumour size without associated inflammation.
The authors thank the ERANET-NANOSCIERA NANOTRUCK project for financial support. JMF thanks Fondo Social Europeo for financial support.
Keywords: c-Myc; CARBOHYDRATE INTERACTIONS; DEATH; DNA-DAMAGE; EXPOSURE; GLYCOLYSIS; Gold nanoparticles; HUMAN-ENDOTHELIAL CELLS; Models; TOOLS

Silica and silica organically modified nanoparticles: Water dynamics in complex systems - Carvalho, A.; Sebastiao, P. J.; I. Fonseca; J. Matos; Goncalves, M. C. (Microporous and Mesoporous Materials, 2015)
Four silica-based porous nanosystems were synthesized with different organic substitutes and the molecular dynamics of water in these constrained environment was investigated. The nanosystems were silica and three organic modified silica nanoparticles (NP) with diameters in the range 80-300 nm with different porous dimensions, surface areas, and surface properties (e.g. hydrophilicity/hydrophobicity). Molecular dynamics was studied by pulsed field gradient NMR and by proton spin-lattice relaxation in a broad range of Larmor frequencies. A coherent analysis of the diffusion coefficients and spin-lattice relaxation data is presented taking into account a relaxation model associated to water molecular dynamics in close contact with NP surfaces. From our results it was possible to access the details of the water molecular movements in the nanosystems and to single out two water populations presenting distinct molecular dynamics. Characteristic distances for water rotations mediated by translational diffusion were estimated in consistency with the NP's dimensions and pores sizes obtained by TEM and BET experimental techniques. This knowledge has both fundamental and practical relevance since these NP have applications in nanomedicine, not only in therapy but also in diagnostic procedures and more recently in theranostic. (C) 2015 Elsevier Inc. All rights reserved.
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Keywords: silica nanoparticles organically modified silica nanoparticles fast field cycling nmr porous systems pfg nmr nuclear magnetic-relaxation nmr relaxometry spin relaxation porous-media fabrication diffusion geometry behavior liquids spheres

Spin effects probed by Rayleigh X-ray scattering off hydrogenic ions - Safari, L; Amaro, P.; Santos, J. P.; Fratini, F. (Radiation Physics and Chemistry, 2015)
We study the polarization characteristics of X-ray photons scattered by hydrogenic atoms, based on the Dirac equation and second-order perturbation theory. The.
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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, 2015)
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Jordao, Noemi/C-6742-2013; Branco, Luis/C-6426-2013; Pina, Fernando/C-8161-2011 Jordao, Noemi/0000-0001-9769-1976; Branco, Luis/0000-0003-2520-1151; Pina, Fernando/0000-0001-8529-6848 0

Thermodynamic and kinetic characterization of PccH, a key protein in microbial electrosynthesis processes in Geobacter sulfurreducens - Telma C. Santos; André R. de Oliveira; Joana M Dantas; Salgueiro, , Carlos A.; Cordas, Cristina M. (Biochimica et Biophysica Acta (BBA) - Bioenergetics, 2015)
Abstract The monoheme c-type cytochrome PccH from Geobacter sulfurreducens, involved in the pathway of current-consumption in biofilms, was electrochemically characterized in detail. Cyclic voltammetry was used to determine the kinetics and thermodynamics properties of PccH redox behavior. Entropy, enthalpy and Gibbs free energy changes associated with the redox center transition between the ferric and the ferrous state were determined, indicating an enhanced solvent exposure. The midpoint redox potential is considerably low for a monoheme c-type cytochrome and the heterogeneous electron transfer constant rate reflects a high efficiency of electron transfer process in PccH. The midpoint redox potential dependence on the pH (redox-Bohr effect) was investigated, over the range of 2.5 to 9.1, and is described by the protonation/deprotonation events of two distinct centers in the vicinity of the heme group with pKa values of 2.7 (pKox1); 4.1 (pKred1) and 5.9 (pKox2); 6.4 (pKred2). Based on the inspection of PccH structure, these centers were assigned to heme propionic acids \{P13\} and P17, respectively. The observed redox-Bohr effect indicates that PccH is able to thermodynamically couple electron and proton transfer in the G. sulfurreducens physiological pH range.
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Keywords: Electron transfer

Thermodynamic Aspects of Aurophilic Hydrogelators - Gavara, Raquel; Aguilo, Elisabet; Guerra, Celia Fonseca; Rodriguez, Laura; Lima, Joao Carlos (Inorganic Chemistry, 2015)
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Gavara, Rafael/H-4096-2012; Lima, Joao Carlos/K-2890-2014; Lima, Joao/F-3658-2010; Rodriguez, Laura/A-4169-2011; Gavara, Raquel/C-6669-2013; Fonseca Guerra, Celia/E-8851-2011 Gavara, Rafael/0000-0001-6376-8939; Lima, Joao/0000-0003-0528-1967; Rodriguez, Laura/0000-0003-1289-1587; Gavara, Raquel/0000-0002-7198-9392; 0