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2022
Karpets, M, Rajnak M, Petrenko VI, Gapon I, Avdeev M, Bulavin L, Timko M, Kopcansky P.  2022.  Electric field-induced assembly of magnetic nanoparticles from dielectric ferrofluids on planar interface. Journal of Molecular Liquids. 362(119773)
Carvalho, RNH, Cordas CM, Fonseca LP.  2022.  Electrode Kinetics of Ion Jelly and Ion Sol-Gel Redox Materials on Screen-Printed Electrodes. Appl Sci. 12:2087.
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9241358/.  2022.  Emergent solution based IGZO memristor towards neuromorphic applications. Materials Chemistry C. 10(6)
Figueiredo, J, Henriques MX, Catalão MJ, Pinheiro S, Narciso AR, Mesquita F, Saraiva BM, Carido M, Cabanes D, Pinho MG, Filipe SR.  2022.  Encapsulation of the septal cell wall protects Streptococcus pneumoniae from its major peptidoglycan hydrolase and host defenses. PLoS Pathogens. 18:e1010516.
Nunes, MJ, Moura JJG, Noronha JP, Branco LC, Samhan-Arias A, Sousa JP, Rouco C, Cordas C.  2022.  Evaluation of Sweat Sampling Procedures for Human Stress Biomarkers Detection. Analytica. 3:178–194.
Morais, {TS }, Fernandes {AR}, Baptista {PV}, Gambino D.  2022.  Editorial: Rational drug design of metal complexes for cancer therapy. Frontiers in Chemistry. 10: Frontiers Media Abstract
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Antunes, JMA, Silva MA, Salgueiro CA, Morgado L.  2022.  Electron Flow From the Inner Membrane Towards the Cell Exterior in Geobacter sulfurreducens: Biochemical Characterization of Cytochrome CbcL. Frontiers in Microbiology. 13 AbstractWebsite

Exoelectrogenic microorganisms are in the spotlight due to their unique respiratory mechanisms and potential applications in distinct biotechnological fields, including bioremediation, bioenergy production and microbial electrosynthesis. These applications rely on the capability of these microorganisms to perform extracellular electron transfer, a mechanism that allows the bacteria to transfer electrons to the cell’s exterior by establishing functional interfaces between different multiheme cytochromes at the inner membrane, periplasmic space, and outer membrane. The multiheme cytochrome CbcL from Geobacter sulfurreducens is associated to the inner membrane and plays an essential role in the transfer of electrons to final electron acceptors with a low redox potential, as Fe(III) oxides and electrodes poised at −100 mV. CbcL has a transmembranar di-heme b-type cytochrome domain with six helices, linked to a periplasmic cytochrome domain with nine c-type heme groups. The complementary usage of ultraviolet-visible, circular dichroism and nuclear magnetic resonance permitted the structural and functional characterization of CbcL’s periplasmic domain. The protein was found to have a high percentage of disordered regions and its nine hemes are low-spin and all coordinated by two histidine residues. The apparent midpoint reduction potential of the CbcL periplasmic domain was determined, suggesting a thermodynamically favorable transfer of electrons to the putative redox partner in the periplasm − the triheme cytochrome PpcA. The establishment of a redox complex between the two proteins was confirmed by probing the electron transfer reaction and the molecular interactions between CbcL and PpcA. The results obtained show for the first time how electrons are injected into the periplasm of Geobacter sulfurreducens for subsequent transfer to the cell’s exterior.

2021
Gago, D, Chagas R, Ferreira LM.  2021.  The Effect of Dicarboxymethyl Cellulose on the Prevention of Protein Haze Formation on White Wine, SEP. BEVERAGES. 7, Number 3 Abstract
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Raposo, {LR }, Silva {AR}, Silva D, Roma-Rodrigues C, Espadinha M, Baptista {PV}, Santos {MMM }, Fernandes {AR}.  2021.  Exploiting the antiproliferative potential of spiropyrazoline oxindoles in a human ovarian cancer cell line, jan. Bioorganic and Medicinal Chemistry. 30: Elsevier Science B.V., Amsterdam. Abstract

Cancer is still one of the deadliest diseases worldwide despite the efforts in its early detection and treatment strategies. However, most chemotherapeutic agents still present side effects in normal tissues and acquired resistance that limit their efficacy. Spiropyrazoline oxindoles might be good alternatives as they have shown antiproliferative activity in human breast and colon cancer cell lines, without eliciting cytotoxicity in healthy cells. However, their potential for ovarian cancer was never tested. In this work, the antiproliferative activity of five spiropyrazoline oxindoles was assessed in ovarian cancer cells A2780 and the biological targets and mechanism of action of the most promising compound evaluated. Compound 1a showed the highest antiproliferative effect, as well as the highest selectivity for A2780 cells compared to healthy fibroblasts. This antiproliferative effect results from the induction of cell death by mitochondria-mediated apoptosis and autophagy. In vitro DNA interaction studies demonstrated that 1a interacts with DNA by groove-binding, without triggering genotoxicity. In addition, 1a showed a strong affinity to bovine serum albumin that might be important for further inclusion in drug delivery platforms. Proteomic studies reinforced 1a role in promoting A2780 endoplasmatic reticulum (ER) stress by destabilizing the correct protein folding which triggers cell death via apoptosis and autophagy.

Alves, D, Duarte S, Arsenio P, Goncalves J, Rodrigues CMP, Lourenco A, Maximo P.  2021.  Exploring the Phytochemicals of Acacia melanoxylon R. Br., DEC. PLANTS-BASEL. 10, Number 12 Abstract
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Raposo, LR, Silva A, Silva D, Roma-Rodrigues C, Espadinha M, Baptista PV, Santos MMM, Fernandes AR.  2021.  Exploiting the antiproliferative potential of spiropyrazoline oxindoles in a human ovarian cancer cell line, 2021. Bioorganic & Medicinal Chemistry. 30:115880. AbstractWebsite

Cancer is still one of the deadliest diseases worldwide despite the efforts in its early detection and treatment strategies. However, most chemotherapeutic agents still present side effects in normal tissues and acquired resistance that limit their efficacy. Spiropyrazoline oxindoles might be good alternatives as they have shown antiproliferative activity in human breast and colon cancer cell lines, without eliciting cytotoxicity in healthy cells. However, their potential for ovarian cancer was never tested. In this work, the antiproliferative activity of five spiropyrazoline oxindoles was assessed in ovarian cancer cells A2780 and the biological targets and mechanism of action of the most promising compound evaluated. Compound 1a showed the highest antiproliferative effect, as well as the highest selectivity for A2780 cells compared to healthy fibroblasts. This antiproliferative effect results from the induction of cell death by mitochondria-mediated apoptosis and autophagy. In vitro DNA interaction studies demonstrated that 1a interacts with DNA by groove-binding, without triggering genotoxicity. In addition, 1a showed a strong affinity to bovine serum albumin that might be important for further inclusion in drug delivery platforms. Proteomic studies reinforced 1a role in promoting A2780 endoplasmatic reticulum (ER) stress by destabilizing the correct protein folding which triggers cell death via apoptosis and autophagy.

Saraiva, BM, Krippahl L, Filipe SR, Henriques R, Pinho MG.  2021.  eHooke: a tool for automated image analysis of spherical bacteria based on cell cycle progression. Biological Imaging. 1:e3.
Baptista, AC, Brito M, Marques A, Ferreira I.  2021.  Electronic control of drug release from gauze or cellulose acetate fibres for dermal applications. Journal of Materials Chemistry B. 9:3515-3522. AbstractWebsite

Electronic controlled drug release from fibres was studied using ibuprofen as a model drug, one of the most popular analgesics, to impregnate gauze and cellulose acetate (CA) membranes. Conductivity in the range of 1–10 mS cm−1 was obtained in polypyrrole (Ppy) functionalised gauze and CA fibres, providing voltage-controlled drug release in a system consisting of Ppy/Ibuprofen/Ppy membranes and an Ag electrode. SEM images evidenced the Ppy adhesion to fibres and Micro Raman spectra proved drug incorporation and release. A small wound adhesive built with these membranes retains ibuprofen at 1.5 V and quickly releases it when −0.5 V is applied.

Baptista, AC, Brito M, Marques A, Ferreira I.  2021.  Electronic control of drug release from gauze or cellulose acetate fibres for dermal applications. Journal of Materials Chemistry B. 9:3515-3522.
Schuster, CS, Crupi I, Halme J, Koç M, Mendes MJ, Peters IM, Yerci S.  2021.  Empowering Photovoltaics with Smart Light Management Technologies. Handbook of Climate Change Mitigation and Adaptation. :1-84., New York: Springer
Barroca-Ferreira, J, Cruz-Vicente P, Santos MFA, Rocha SM, Santos-Silva T, Maia CJ, Passarinha LA.  2021.  Enhanced Stability of Detergent-Free Human Native STEAP1 Protein from Neoplastic Prostate Cancer Cells upon an Innovative Isolation Procedure. International Journal of Molecular Sciences. 22, Number 18 AbstractWebsite

Background: The STEAP1 is a cell-surface antigen over-expressed in prostate cancer, which contributes to tumor progression and aggressiveness. However, the molecular mechanisms underlying STEAP1 and its structural determinants remain elusive. Methods: The fraction capacity of Butyl- and Octyl-Sepharose matrices on LNCaP lysates was evaluated by manipulating the ionic strength of binding and elution phases, followed by a Co-Immunoprecipitation (Co-IP) polishing. Several potential stabilizing additives were assessed, and the melting temperature (Tm) values ranked the best/worst compounds. The secondary structure of STEAP1 was identified by circular dichroism. Results: The STEAP1 was not fully captured with 1.375 M (Butyl), in contrast with interfering heterologous proteins, which were strongly retained and mostly eluted with water. This single step demonstrated higher selectivity of Butyl-Sepharose for host impurities removal from injected crude samples. Co-IP allowed recovering a purified fraction of STEAP1 and contributed to unveil potential physiologically interacting counterparts with the target. A Tm of  55 °C was determined, confirming STEAP1 stability in the purification buffer. A predominant α-helical structure was identified, ensuring the protein’s structural stability. Conclusions: A method for successfully isolating human STEAP1 from LNCaP cells was provided, avoiding the use of detergents to achieve stability, even outside a membrane-mimicking environment.

2020
Terao, M, Garattini E, Romão MJ, Leimkühler S.  2020.  Evolution, expression, and substrate specificities of aldehyde oxidase enzymes in eukaryotes, 2020. Journal of Biological ChemistryJournal of Biological Chemistry. 295(16):5377-5389.: Elsevier AbstractWebsite

Aldehyde oxidases (AOXs) are a small group of enzymes belonging to the larger family of molybdo-flavoenzymes, along with the well-characterized xanthine oxidoreductase. The two major types of reactions that are catalyzed by AOXs are the hydroxylation of heterocycles and the oxidation of aldehydes to their corresponding carboxylic acids. Different animal species have different complements of AOX genes. The two extremes are represented in humans and rodents; whereas the human genome contains a single active gene (AOX1), those of rodents, such as mice, are endowed with four genes (Aox1-4), clustering on the same chromosome, each encoding a functionally distinct AOX enzyme. It still remains enigmatic why some species have numerous AOX enzymes, whereas others harbor only one functional enzyme. At present, little is known about the physiological relevance of AOX enzymes in humans and their additional forms in other mammals. These enzymes are expressed in the liver and play an important role in the metabolisms of drugs and other xenobiotics. In this review, we discuss the expression, tissue-specific roles, and substrate specificities of the different mammalian AOX enzymes and highlight insights into their physiological roles.Aldehyde oxidases (AOXs) are a small group of enzymes belonging to the larger family of molybdo-flavoenzymes, along with the well-characterized xanthine oxidoreductase. The two major types of reactions that are catalyzed by AOXs are the hydroxylation of heterocycles and the oxidation of aldehydes to their corresponding carboxylic acids. Different animal species have different complements of AOX genes. The two extremes are represented in humans and rodents; whereas the human genome contains a single active gene (AOX1), those of rodents, such as mice, are endowed with four genes (Aox1-4), clustering on the same chromosome, each encoding a functionally distinct AOX enzyme. It still remains enigmatic why some species have numerous AOX enzymes, whereas others harbor only one functional enzyme. At present, little is known about the physiological relevance of AOX enzymes in humans and their additional forms in other mammals. These enzymes are expressed in the liver and play an important role in the metabolisms of drugs and other xenobiotics. In this review, we discuss the expression, tissue-specific roles, and substrate specificities of the different mammalian AOX enzymes and highlight insights into their physiological roles.

K.Siposova, AM.  2020.  Effect of Nanomaterials on Protein Amyloid Aggregation. International Conference - Condensed Matter Research at the IBR-2. , Dubna, Russia
Carreira, C, Nunes RF, Mestre O, Moura I, Pauleta SR.  2020.  The effect of pH on Marinobacter hydrocarbonoclasticus denitrification pathway and nitrous oxide reductase. J Biol Inorg Chem. 25:927.
Duczinski, R, Polesso BB, Bernard FL, Ferrari HZ, Almeida PL, Corvo MC, Cabrita EJ, Menezes S, Einloft S.  2020.  Enhancement of CO2/N2 selectivity and CO2 uptake by tuning concentration and chemical structure of imidazolium-based ILs immobilized in mesoporous silica. Journal of Environmental Chemical Engineering. AbstractWebsite

Imidazolium-based ionic liquids (ILs) with different cation alkyl chain ([i-C5mim] or [C4mim]) and inorganic anions ([Cl−], [Tf2N−], [PF6−] and [DCA−]) were synthesized and immobilized in commercial mesoporous silica. The synthesized supported ILs (SILs) were characterized using NMR, FTIR, TGA, BET, SEM and TEM. CO2 sorption capacity, reusability and CO2/N2 selectivity were assessed by the pressure-decay technique. The effects of IL concentration, cation and anion chemical structure in CO2 sorption capacity and CO2/N2 separation performance were evaluated. Tests evidenced that the presence of branching on the cation alkyl side chain increases CO2/N2 selectivity. The immobilization of the IL [i-C5TPIm][Cl] on mesoporous silica in different concentrations (50, 20, 10 and 5 %) revealed that lower IL concentration results in higher CO2 sorption capacity. Immobilization of ILs containing fluorinated anions at low concentrations in the mesoporous silica support may promote the improvement of the CO2/N2 selectivity without interfering on CO2 sorption capacity of the original support. CO2 sorption capacity value shown by sample SIL-5 % - [i-C5TPIm][Tf2N] (79.50 ± 0.70 mg CO2  g-1) was close to the value obtained for the pristine mesoporous silica (81.70 ± 2.20 mg CO2 g-1) and the selectivity (4.30 ± 0.70) was more than twice of the one obtained for the support alone (2.32 ± 0.4). Recycle tests demonstrated that the ILs immobilized in mesoporous silica samples are stable, providing a new option to be used in CO2 capture processes.

2019
Ribeiro, SO, Granadeiro CM, Almeida PL, Pires J, Valenca R, Campos-Martin JM, Ribeiro JC, de Castro B, Balula SS.  2019.  Effective Zinc-Substituted Keggin Composite To Catalyze the Removal of Sulfur from Real Diesels under a Solvent-Free System, {OCT 9}. Industrial & Engineering Chemistry Research. 58:18540-18549., Number {40} AbstractWebsite

{The Keggin phosphotungstate (PW12) and its zinc derivative (PW11Zn) were tested as oxidative catalysts for desulfurization processes using simulated and real diesels. These compounds were used as homogeneous catalysts, while the corresponding SBA-15 composites were used as heterogeneous catalysts. The comparison of their catalytic performance demonstrated that the zinc-substituted polyoxo-metalate is more efficient than the plenary PW12 structure. Additionally, using the heterogeneous PW11Zn@aptesSBA-15, the sustainability and catalytic efficiency was largely improved, allowing the total sulfur removal from model diesel after 1 h using a small amount of oxidant (H2O2/S = 4) under an oxidative solvent-free system. The desulfurization of real diesels was performed under similar conditions, achieving 87.8% of efficiency using the PW11Zn@aptesSBA-15 catalyst. Furthermore, the catalyst maintained its activity over consecutive desulfurization cycles. The cost-effective operational conditions achieved with PW11Zn@aptesSBA-15 turn this into a promising material to be used in an industrial scale to treat diesel.}

Palma, SICJ, Esteves C, Pádua AC, Alves CM, Santos GMC, Costa HMA, Dionisio M, Gamboa H, Gruber J, Roque ACA.  2019.  Enhanced gas sensing with soft functional materials, May 2019. ISOEN 2019 - 18th International Symposium on Olfaction and Electronic Nose, Proceedings. , Fukuoka, Japan: Institute of Electrical and Electronics Engineers Inc. AbstractPDF

The materials described in this work result from the selfassembly of liquid crystals and ionic liquids into droplets,
stabilized within a biopolymeric matrix. These systems are
extremely versatile gels, in terms of composition, and offer
potential for fine tuning of both structure and function, as
each individual component can be varied. Here, the
characterization and application of these gels as sensing thin
films in gas sensor devices is presented. The unique
supramolecular structure of the gels is explored for molecular
recognition of volatile organic compounds (VOCs) by
employing gels with distinct formulations to yield
combinatorial optical and electrical responses used in the
distinction and identification of VOCs.

Jesus, {AR }, Soromenho {MRC }, Raposo {LR }, Esperan{\c c}a {JMSS }, Baptista {PV}, Fernandes {AR}, Reis {PM }.  2019.  Enhancement of water solubility of poorly water-soluble drugs by new biocompatible N-acetyl amino acid N-alkyl cholinium-based ionic liquids, apr. European Journal of Pharmaceutics and Biopharmaceutics. 137:227–232.: Elsevier Science B.V., Amsterdam. Abstract

The major challenge of the pharmaceutical industry is to find potential solvents for poorly water-soluble drug molecules. Ionic liquids (ILs) have attracted this industry as (co-) solvents due to their unique physicochemical and biological properties. Herein, a straightforward approach for the enhancement of water solubility of paracetamol and sodium diclofenac is presented, using new biocompatible N-acetyl amino acid N-alkyl cholinium-based ionic liquids as co-solvents (0.2 - 1 mol%). These new ionic liquids were able to increase water solubility of these drugs up to four times higher than in pure water or in an inorganic salt solution. In the presence of these ILs the drugs lipophilicity (log Kow) was not significantly changed for paracetamol, but for sodium diclofenac it was possible to decrease significantly its lipophilicity. Concerning cytotoxicity in human dermal fibroblasts it was observed that ILs did not show a significant toxicity, and were able to improve cell viability compared with the respective precursors.

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