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2017
Batista, A, Pereira A.  2017.  Software Development for the Detection and Characterization of Rail Corrugation. Workshop on Railway track dynamics. : Faculty of Sciences and Technology/UNL
Dantas, JM, Silva MA, Pantoja-Uceda D, Turner DL, Bruix M, Salgueiro CA.  2017.  Solution structure and dynamics of the outer membrane cytochrome OmcF from Geobacter sulfurreducens. Biochimica et Biophysica Acta (BBA) - Bioenergetics. 1858(9):733-741. AbstractWebsite

ABSTRACTGene knock-out studies on Geobacter sulfurreducens cells showed that the outer membrane-associated monoheme cytochrome OmcF is involved in respiratory pathways leading to the extracellular reduction of Fe(III) and U(VI). In addition, microarray analysis of an OmcF-deficient mutant revealed that many of the genes with decreased transcript level were those whose expression is up-regulated in cells grown with a graphite electrode as electron acceptor, suggesting that OmcF also regulates the electron transfer to electrode surfaces and the concomitant electricity production by G. sulfurreducens in microbial fuel cells. 15N,13C–labeled OmcF was produced and NMR spectroscopy was used to determine the solution structure of the protein in the fully reduced state and the pH-dependent conformational changes. In addition, 15N relaxation NMR experiments were used to characterize the overall and internal backbone dynamics of OmcF. The structure obtained is well defined, with an average pairwise root mean square deviation of 0.37 Å for the backbone atoms and 0.98 Å for all heavy atoms. For the first time a solution structure and the protein motions were determined for an outer membrane cytochrome from G. sulfurreducens, which constitutes an important step to understand the extracellular electron transfer mechanism in Geobacter cells.

Johnston, EM, Carreira C, Dell'Acqua S, Dey SG, Pauleta SR, Moura I, Solomon EI.  2017.  Spectroscopic definition of the CuZ° intermediate in turnover of nitrous oxide reductase and molecular insight into the catalytic mechanism. J Am Chem Soc. 139:4462-4476.
Cordeiro, T, Castiñeira C, Mendes D, Danède F, Sotomayor J, Fonseca IM, da Silva GM, Paiva A, Barreiros SF, Cardoso MM, Viciosa MT, Correia NT, Dionísio M.  2017.  Stabilizing Unstable Amorphous naproxen through Inclusion in Mesoporous Silica Hosts. Molecular Pharmaceutics. 14:3164−3177.Website
Vicente, AT, et al.  2017.  A statistics modeling approach for the optimization of thin film photovoltaic devices. Solar Energy. 144:232-243.
Gonzalez, PJ, Rivas MG, Moura JJG.  2017.  Structure, function and mechanisms of respiratory nitrate reductases. Metalloenzymes in Denitrification: Applications and Environmental Impacts, RSC Metallobiology Series No. 9 (ISBN: 978-1-78262-376-2).. (Moura, I., Moura, J. J. G., Pauleta, S. R., Maia, L. B., Eds.).:39-58.: Royal Society of Chemistry
Machado, A, Wolf S, Coutinho ML, Alves LC, Katona-Serneels I, Serneels V, S.Trümpler, Vilarigues M.  2017.  Swiss stained-glass panels - an analytical study. Microscopy and Microanalysis. 23 (4):878-890.
Sousa, DM, Lima JC, Ferreira I.  2017.  Synthesis of Cadmium Selenide Quantum Dots, Using 2, 2‐Bipyridine as a Capping and Phase Transfer Agent. ChemistrySelect. 2(3):1271-1274. AbstractWebsite

Cadmium selenide quantum dots (CdSe QDs), were synthesized by one‐pot or water‐to‐organic phase transfer and capped with molten 2,2′‐bipyridine (bipy). The obtained CdSe QDs by the two‐step procedure, reveal average sizes of 2 nm while the one‐pot are mixed with secondary salt products and bipy and are undetectable by TEM. However the absorption peak of both CdSe QDs was at 425 nm and the emission band is centered at 535 nm, with a band width at half height of 77 nm, when excited with 425 nm light. The two‐step CdSe QDs synthesis has the great advantage of capping the CdSe QDs with bipy, forming a solid phase, which is easily stored and dispersed in most of the organic solvents. On the other hand, the one‐pot procedure requires an extra step to remove the secondary products.

Silva, PES, {Vistulo de Abreu} F, Godinho MH.  2017.  Shaping Helical Electrospun Filaments: A Review. Soft Matter. 13:6678-6688., Number 38 Abstract
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Cordeiro, T, Castiñeira C, Mendes D, Florence Danède, Sotomayor J, Fonseca IM, Gomes da Silva M, Paiva A, Barreiros S, Cardoso MM, Viciosa MT, Correia NT, Dionisio M.  2017.  Stabilizing Unstable Amorphous Menthol through Inclusion in Mesoporous Silica Hosts. Molecular Pharmaceutics. 14:3164-3177., Number 9 AbstractWebsite
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Romão, MJ, Coelho C, Santos-Silva T, Foti A, Terao M, Garattini E, Leimkühler S.  2017.  Structural basis for the role of mammalian aldehyde oxidases in the metabolism of drugs and xenobiotics. Current Opinion in Chemical Biology. 37:39-47. AbstractWebsite

Aldehyde oxidases (AOXs) are molybdo-flavoenzymes characterized by broad substrate specificity, oxidizing aromatic/aliphatic aldehydes into the corresponding carboxylic acids and hydroxylating various heteroaromatic rings. Mammals are characterized by a complement of species-specific \{AOX\} isoenzymes, that varies from one in humans (AOX1) to four in rodents (AOX1, AOX2, \{AOX3\} and AOX4). The physiological function of mammalian \{AOX\} isoenzymes is unknown, although human \{AOX1\} is an emerging enzyme in phase-I drug metabolism. Indeed, the number of therapeutic molecules under development which act as \{AOX\} substrates is increasing. The recent crystallization and structure determination of human \{AOX1\} as well as mouse \{AOX3\} has brought new insights into the mechanisms underlying substrate/inhibitor binding as well as the catalytic activity of this class of enzymes.

2016
Gouveia, JP, Seixas J, Giannakidis G.  2016.  Smart City Energy Planning: Integrating Data and Tools, April 11-15. AW4City - International World Wide Web Conference. , Montréal, Québec, Canada.
Barbosa, J, Brás T, Seixas J.  2016.  The Sustainable Development Goals in a NEXUS perspective among the food trade market – focus on the EU agri-food import dependency, 21-22 Sep.. Fourth Annual International Conference on Sustainable Development. , New York, USA: Columbia University
Aguirre, LE, de Oliveira A, Seč D, Čopar S, Almeida PL, Ravnik M, Godinho MH, Žumer S.  2016.  Sensing surface morphology of biofibers by decorating spider silk and cellulosic filaments with nematic microdroplets, 2016/02/02. Proceedings of the National Academy of Sciences. 113(5):1174. AbstractWebsite

Biological microfibers are remarkable materials with diverse structural and mechanical properties, such as high wear-resistance, elasticity, and biodegradability. However, with current techniques, there are few robust ways to sense the surface properties of the fibers, which crucially affect the organization of the fibers and their interactions with the surrounding material. In this paper, we show that surfaces of diverse biofibers, including spider silks and cellulosic fibers, can be easily sensed by depositing droplets of a nematic fluid onto the fibers. The droplets reveal the surface properties of the fibers via their optical images, notably showing also the fiber chirality. Further, the droplets are used to study the entanglement of biofibers, as a route toward novel biological and bioinspired materials.Probing the surface morphology of microthin fibers such as naturally occurring biofibers is essential for understanding their structural properties, biological function, and mechanical performance. The state-of-the-art methods for studying the surfaces of biofibers are atomic force microscopy imaging and scanning electron microscopy, which well characterize surface geometry of the fibers but provide little information on the local interaction potential of the fibers with the surrounding material. In contrast, complex nematic fluids respond very well to external fields and change their optical properties upon such stimuli. Here we demonstrate that liquid crystal droplets deposited on microthin biofibers—including spider silk and cellulosic fibers—reveal characteristics of the fibers’ surface, performing as simple but sensitive surface sensors. By combining experiments and numerical modeling, different types of fibers are identified through the fiber-to-nematic droplet interactions, including perpendicular and axial or helicoidal planar molecular alignment. Spider silks align nematic molecules parallel to fibers or perpendicular to them, whereas cellulose aligns the molecules unidirectionally or helicoidally along the fibers, indicating notably different surface interactions. The nematic droplets as sensors thus directly reveal chirality of cellulosic fibers. Different fiber entanglements can be identified by depositing droplets exactly at the fiber crossings. More generally, the presented method can be used as a simple but powerful approach for probing the surface properties of small-size bioobjects, opening a route to their precise characterization.

Nabais, P, Castro R, Lopes GV, de Sousa LC, Melo MJ.  2016.  Singing with light: an interdisciplinary study on the medieval Ajuda Songbook, 2016. Journal of Medieval Iberian Studies. 8(2):283-312. AbstractWebsite
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Gomis-Berenguer, A, Seredych M, Iniesta J, Lima JC, Bandosz TJ, Ania CO.  2016.  Sulfur-mediated photochemical energy harvesting in nanoporous carbons, 2016. Carbon. 104:253-259. AbstractWebsite
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Basilio, N, Garnier T, Avo J, Danel M, Chassaing S, Pina F.  2016.  Synthesis and multistate characterization of bis-flavylium dications - symmetric resorcinol- and phloroglucinol-type derivatives as stochastic systems, 2016. Rsc Advances. 6(74):69698-69707. AbstractWebsite
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Fortes, P, Dias L, Seixas J.  2016.  The sustainability of future scenarios of the Portuguese power system, 13-15 July . 22nd Annual International Sustainable Development Research Society Conference . , Lisbon, Portugal
Barbosa, JP, Dias L.  2016.  Solar Power Deployment In Brazil – Testing Electric Vehicles As The Wheel To Promote Solar Power, 11-14 October . 11th ISES EuroSun Conference . , Palma Mallorca, Spain
Carvalho, R, Almeida R, Moura JJG, Lourenço N, Fonseca L, Cordas CM.  2016.  Sandwich-Type Enzymatic Fuel Cell Based on a New Electro-Conductive Material - Ion Jelly. Chemistry Select. 1:6546–6552.Website
Krings, B-J, Rodriguez H, Schleisiek A.  2016.  Scientific knowledge and the transgression of boundaries. , Wiesbaden: Springer VS Abstract

The aim of this book is to understand and critically appraise science-based transgression dynamics in their whole complexity. It includes contributions from experts with different disciplinary backgrounds, such as philosophy, history and sociology. Thus, it is in itself an example of boundary transgession. Scientific disciplines and their objects have tended to be seen as permanent and distinct. However, science is better conceived as an activity that constantly surpasses, erases and rebuilds all kinds of boundaries, either disciplinary, socio-ethical or ecological. This transgressive capacity, a characteristic trait of science and its applications, defines us as "knowledge societies." However, scientific and technological developments are also sources of serious environmental and social concerns.

Silva, M, Silva Z, Marques G, Ferro T, Gonçalves M, Monteiro M, van Vliet SJ, Mohr E, Lino AC, Fernandes AR, Lima FA, van Kooyk Y, Matos T, Tadokoro CE, Videira PA.  2016.  Sialic acid removal from dendritic cells improves antigen cross-presentation and boosts anti-tumor immune responses. Oncotarget . AbstractWebsite

Dendritic cells (DCs) hold promise for anti-cancer immunotherapy. However, clinically, their efficiency is limited and novel strategies to improve DC-mediated anti-tumor responses are needed. Human DCs display high content of sialic acids, which inhibits their maturation and co-stimulation capacity. Here, we aimed to understand whether exogenous desialylation of DCs improves their anti-tumor immunity. Compared to fully sialylated DCs, desialylated human DCs loaded with tumor-antigens showed enhanced ability to induce autologous T cells to proliferate, to secrete Th1 cytokines, and to specifically induce tumor cell apoptosis. Desialylated DCs showed an increased expression of MHC-I and -II, co-stimulatory molecules and an augmented secretion of IL-12. Desialylated HLA-A*02:01 DCs pulsed with gp100 peptides displayed enhanced peptide presentation through MHC-I, resulting in higher activation ofgp100280–288 specific CD8+ cytotoxic T cells. Desialylated murine DCs also exhibited increased MHC and co-stimulatory molecules and higher antigen cross-presentation via MHC-I. These DCs showed higher ability to activate antigen-specific CD4+ and CD8+ T cells, and to specifically induce tumor cell apoptosis. Collectively, our data demonstrates that desialylation improves DCs’ ability to elicit T cell-mediated anti-tumor activity, due to increased MHC-I expression and higher antigen presentation via MHC-I. Sialidase treatment of DCs may represent a technology to improve the efficacy of antigen loaded-DC-based vaccines for anti-cancer immunotherapy.

João, C, Almeida R, Silva JC, Borges JP.  2016.  A simple sol-gel route to the construction of hydroxyapatite inverted colloidal crystals for bone tissue engineering. Materials Letters. 185:407-410. AbstractWebsite

Hydroxyapatite (HAp) scaffolds with uniform pore size and interconnected pore network were constructed based on the inverted colloidal crystal (ICC) geometry and a simple sol-gel formulation. Monodisperse polystyrene microspheres were self-assembled and annealed into a hexagonal close packed structure. HAp sol-gel was infiltrated in this template followed by thermal treatment for simultaneous HAp matrix sintering and polymeric colloidal crystal calcination. The resultant ICC scaffolds exhibit an ordered architecture that was able to offer a favorable environment for human osteoblasts adhesion and proliferation, an essential feature for bone ingrowth in tissue engineering applications.

Maiti, BK, Moura I, Moura JJG, Pauleta SR.  2016.  The small iron-sulfur protein from the ORP operon binds a [2Fe-2S] cluster. Biochim Biophys Acta. 1857:1422-1429.Website
Fernandes, CSM, Castro R, Coroadinha AS, Roque ACA.  2016.  Small synthetic ligands for the enrichment of viral particles pseudotyped with amphotropic murine leukemia virus envelope. Journal of Chromatography A. 1438:160–170.: Elsevier B.V. AbstractWebsite

Retroviral vectors gained popularity toward other viral vectors as they integrate their genome into hosts' genome, a characteristic required for the modification of stem cells. However, the production of viable particles for gene therapy is hampered by the low ratio of infectious to non-infectious viral particles after purification, low titers and limited number of competent viral receptors. We have developed de novo two fully synthetic triazine-based ligands that can selectively bind retroviral particles pseudotyped with amphotropic murine leukemia virus envelope (AMPHO4070A). A 78-membered library of triazine-based ligands was designed in silico and was virtually screened against the modeled structure of the AMPHO4070A protein. Ligands displaying the highest energy of binding were synthesized on cross-linked agarose and experimentally tested. Adsorbents containing ligands A5A10 and A10A11 showed selectivity toward viral particles containing the target protein (VLP-AMPHO), binding 19 ± 5 $μ$g/g support and 47 ± 13 $μ$g/g support, respectively. The elution conditions for both ligands were mild and with high recovery yields (80-100{%}), in comparison with common purification practices. These results were based on a lab-scale experimental setting with VLP integrity being confirmed through TEM. In particular, the elution buffer containing 12 mM imidazole allowed the recovery of intact amphotropic viral particles.