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2017
Dajkovic, A, Tesson B, Chauhan S, Courtin P, Keary R, Flores P, Marliere C, Filipe SR, Chapot-Chartier M-P, Carballido-Lopez R.  2017.  Hydrolysis of Peptidoglycan is Modulated by Amidation of meso-Diaminopimelic Acid and Mg2+ in Bacillus subtilis. Mol. Microbiol. 104:972-988.
Krings, B-J, Decker M, Weinberger N, Hirsch J.  2017.  Imagined technology futures in demand-oriented technology assessment. Journal of Responsible Innovation. 4(2):177-196.
Loureiro, J, Mateus T, Filonovich S, Ferreira M, Figueira J, Rodrigues A, Donovan BF, Hopkins PE, Ferreira I.  2017.  Improved thermoelectric properties of nanocrystalline hydrogenated silicon thin films by post-deposition thermal annealing. Thin Solid Films. 642:276-280. AbstractWebsite

The influence of post-deposition thermal annealing on the thermoelectric properties of n-and p-type nanocrystalline hydrogenated silicon thin films, deposited by plasma enhanced chemical vapour deposition, was studied in this work. The Power Factor of p-type films was improved from 7× 10− 5 to 4× 10− 4 W/(mK 2) as the annealing temperature, under vacuum, increased up to 400° C while for n-type films it has a minor influence. Optimized Seebeck coefficient values of 460 μV/K and− 320 μV/K were achieved for p-and n-type films, respectively, with crystalline size in the range of 10 nm, leading to remarkable low thermal conductivity values (< 10 Wm− 1. K− 1) at room temperature.

Gargiulo, M, Chiodi A, De Miglio R, Simoes S, Long G, Pollard M, Gouveia JP, Giannakidis G.  2017.  An Integrated Planning Framework for the Development of Sustainable and Resilient Cities - The Case of the InSMART Project. Procedia Engineering. 198:444-453.
Dias, L, Simões S, Gouveia JP, Seixas J.  2017.  Local Sustainable energy systems - the role of Times model. ETSAP Workshop on Sustainability Performance of the Energy Systems. , Madrid, Spain, 29th and 30th of May: CIEMAT
Chávez-Rodriguéz, M, Dias L, Simoes S, Seixas J, Hawkes A, Szklo A, Lucena A.  2017.  Modelling the role of natural gas in the Southern Cone of Latin America. Applied Energy. 201(1):219-239.
Duarte, AR.  2017.  Natural deep eutectic systems inspired in animals living in extreme environments: citotoxicity profile. 2nd Chem2Nature Workshop. , Porto, Portugal
Faria, P, Duarte P, Barbosa D, Ferreira I.  2017.  New composite of natural hydraulic lime mortar with graphene oxide. Constr Build Mater. 156:1150-1157. AbstractWebsite

Recent studies show the incorporation of graphene oxide (GO) in cement composites. But these composites are frequently incompatible with original materials for building rehabilitation. To overcome this limitation, natural hydraulic lime mortars were used as matrix, and the influence of GO percentage and type of mixing was investigated. The influence on the microstructure, mechanical and physical properties was assessed. The best results were obtained with dispersed GO at concentrations of 0.05% and 0.1%. A slight improvement of mechanical and physical characteristics was achieved. This could lead to new mortars with improved properties that can be used for building rehabilitation.

Dantas, JM, Brausemann A, Einsle O, Salgueiro CA.  2017.  NMR studies of the interaction between inner membrane-associated and periplasmic cytochromes from Geobacter sulfurreducens. FEBS Letters. 591:1657–1666. AbstractWebsite

Geobacter sulfurreducens is a dissimilatory metal reducing bacterium with notable properties and significance in biotechnological applications. Biochemical studies suggest that the inner membrane-associated diheme cytochrome MacA and the periplasmic triheme cytochrome PpcA from G. sulfurreducens can exchange electrons. In this work, NMR chemical shift perturbation measurements were used to map the interface region and to measure the binding affinity between PpcA and MacA. The results show that MacA binds to PpcA in a cleft defined by hemes I and IV, favoring the contact between PpcA heme IV and the MacA high potential heme. The dissociation constant values indicate the formation of a low affinity complex between the proteins, which is consistent with the transient interaction observed in electron transfer complexes.This article is protected by copyright. All rights reserved.

Figueira, J, Loureiro J, Marques J, Bianchi C, Duarte P, Ruoho M, Tittonen I, Ferreira I.  2017.  Optimization of Cuprous Oxides Thin Films to be used as Thermoelectric Touch Detectors. ACS Appl Mater Interfaces. 9(7):6520-6529. AbstractWebsite

The electronic and optical properties of p-type copper oxides (CO) strongly depend on the production technique as it influences the obtained phases: cuprous oxide (Cu2O) or cupric oxide (CuO), the most common ones. Cu films deposited by thermal evaporation have been annealed in air atmosphere, with temperature between 225 and 375 °C and time between 1 and 4 h. The resultant CO films have been studied to understand the influence of processing parameters in the thermoelectric, electrical, optical, morphological, and structural properties. Films with a Cu2O single phase are formed when annealing at 225 °C, while CuO single phase films can be obtained at 375 °C. In between, both phases are obtained in proportions that depend on the film thickness and annealing time. The positive sign of the Seebeck coefficient (S), measured at room temperature (RT), confirms the p-type behavior of both oxides, showing values up to 1.2 mV·°C–1and conductivity up to 2.9 (Ω·m)−1. A simple detector using Cu2O have been fabricated and tested with fast finger touch events

Vicente, AT, et al.  2017.  Optoelectronics and Bio Devices on Paper Powered by Solar Cells. Nanostructured Solar Cells. (Narottam Das, Ed.).: InTech Open
Mano, F, Martins M, Sá-Nogueira I, Barreiros S, Borges JP, Reis R, Duarte AR, Paiva A.  2017.  Production of Electrospun Fast-Dissolving Drug Delivery Systems with Therapeutic Eutectic Systems Encapsulated in Gelatin. AAPS PharmSciTech. 18(7):2579-2585. AbstractWebsite

Fast-dissolving delivery systems (FDDS) have received increasing attention in the last years. Oral drug delivery is still the preferred route for the administration of pharmaceutical ingredients. Nevertheless, some patients, e.g. children or elderly people, have difficulties in swallowing solid tablets. In this work, gelatin membranes were produced by electrospinning, containing an encapsulated therapeutic deep-eutectic solvent (THEDES) composed by choline chloride/mandelic acid, in a 1:2 molar ratio. A gelatin solution (30% w/v) with 2% (v/v) of THEDES was used to produce electrospun fibers and the experimental parameters were optimized. Due to the high surface area of polymer fibers, this type of construct has wide applicability. With no cytotoxicity effect, and showing a fast-dissolving release profile in PBS, the gelatin fibers with encapsulated THEDES seem to have promising applications in the development of new drug delivery systems.

Zajac, M, Kahl H, Schade B, Dionísio M, Beiner M.  2017.  Relaxation behavior of polyurethane networks with different composition and crosslinking density. Polymer. 111:83-90.Website
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
Dardouri, M, Borges JP, Omrani A.  2017.  Tailoring the morphology of hydroxyapatite particles using a simple solvothermal route. Ceramics International. 43(4):3784-3791. AbstractWebsite

Nanometric and sub-micrometric monodispersed hydroxyapatite (HAp) particles with different morphologies (spheres and rods) were synthesized via a simple solvothermal method using Ca(NO3)2·4H2O and P2O5 as starting materials without any requirement to use organic templates. The growth, evolution and purity of the nanoparticles were investigated by controlling the synthesis conditions, including the alkalinity and the temperature of the solvothermal treatment. The increasing of the alkaline ratio results in a great change of the elaborated particles’ morphology that evolved from anisotropic forms (nanorods, sub-micrometric rod) at pH 9, short rod particles at pH 9.5 to spherical ones at higher pH (pH≥10).
Powder X-Ray diffractometry (XRD), Scanning Electron Microscopy (SEM), Fourier Transform Infrared Spectroscopy (FTIR) and Nitrogen adsorption and desorption studies (BET) were used to characterize the structure and composition of the as-prepared samples.
The thermal analysis of the synthesized particles conducted by differential scanning calorimetry (DSC) shows a good stability for all morphologies with a degradation temperature reaching 1300 °C.

Hussain, A, Semeano ATS, Palma SICJ, Pina AS, Almeida J, Medrado BF, Pádua ACCS, Carvalho AL, Dionísio M, Li RWC, Gamboa H, Ulijn RV, Gruber J, Roque ACA.  2017.  Tunable Gas Sensing Gels by Cooperative Assembly. Advanced Functional Materials. 1700803:1–9. AbstractPDFWebsite

The cooperative assembly of biopolymers and small molecules can yield functional materials with precisely tunable properties. Here, the fabrication, characterization, and use of multicomponent hybrid gels as selective gas sensors are reported. The gels are composed of liquid crystal droplets self-assembled in the presence of ionic liquids, which further coassemble with biopolymers to form stable matrices. Each individual component can be varied and acts cooperatively to tune gels' structure and function. The unique molecular environment in hybrid gels is explored for supramolecular recognition of volatile compounds. Gels with distinct compositions are used as optical and electrical gas sensors, yielding a combinatorial response conceptually mimicking olfactory biological systems, and tested to distinguish volatile organic compounds and to quantify ethanol in automotive fuel. The gel response is rapid, reversible, and reproducible. These robust, versatile, modular, pliant electro-optical soft materials possess new possibilities in sensing triggered by chemical and physical stimuli.

Hussain, A, Semeano ATS, Palma SICJ, Pina AS, Almeida J, Medrado BF, Pádua ACCS, Carvalho AL, Dionísio M, Li RWC, Gamboa H, Ulijn RV, Gruber J, Roque ACA.  2017.  Tunable Gas Sensing Gels by Cooperative Assembly. Advanced Functional Materials. 27(27):1700803.Website
Sousa, JR, Silveira CM, Fontes P, Roma-Rodrigues C, Fernandes AR, Van Driessche G, Devreese B, Moura I, Moura JJG, Almeida MG.  2017.  Understanding the response of Desulfovibrio desulfuricans ATCC 27774 to different electron acceptors - biosynthetic costs modulate substrate selection. Biochim Biophys Acta. 1865:1455-1469.
dos Santos, LM, Ligabue R, Dumas A, Le Roux C, Micoud P, Meunier J-F, Martin F, Corvo M, Almeida P, Einloft S.  2017.  Waterborne polyurethane/Fe3O4-synthetic talc composites: synthesis, characterization, and magnetic properties. Polymer Bulletin. :1-16.: Springer Berlin Heidelberg AbstractWebsite

Nano-Fe3O4-synthetic talc gel was used as filler in the synthesis of waterborne polyurethane/Fe3O4-synthetic talc nanocomposites. This filler presents numerous edges (Si–O and Mg–O) and OH groups easily forming hydrogen bonds and polar interaction with water conferring hydrophilic character, consequently improving filler dispersion within a water-based matrix. Yet, the use of waterborne polyurethane (WPU) as matrix must be highlighted due to its environmentally friendly characteristics and low toxicity compared to solvent-based product. Fe3O4-synthetic talc-nanofillers were well dispersed into the polyurethane matrix even at high filler content as supported by XRD and TEM analyses. NMR indicates the interaction of filler OH groups with the matrix. For all nanocomposites, one can see a typical ferromagnetic behavior below Curie temperature (about 120 K) and a superparamagnetic behavior above this temperature. The use of Fe3O4-synthetic talc for obtaining magnetic nanocomposites resulted in improved materials with superior mechanical properties compared to solvent-based nanocomposites.

Godinho, D, Dias D, Bernardo M, Lapa N, Fonseca I, Lopes H, Pinto F.  2017.  Adding value to gasification and co-pyrolysis chars as removal agents of Cr3+. Journal of Hazardous Materials. 321:173-182. AbstractWebsite

The present work aims to assess the efficiency of chars, obtained from the gasification and co-pyrolysis of rice wastes, as adsorbents of Cr3+ from aqueous solution. GC and PC chars, produced in the gasification and co-pyrolysis, respectively, of rice husk and polyethylene were studied. Cr3+ removal assays were optimised for the initial pH value, adsorbent mass, contact time and Cr3+ initial concentration. GC showed a better performance than PC with about 100% Cr3+ removal, due to the pH increase that caused Cr precipitation. Under pH conditions in which the adsorption prevailed (pH<5.5), GC presented the highest uptake capacity (21.1mg Cr3+ g−1 char) for the following initial conditions: 50mg Cr3+ L−1; pH 5; contact time: 24h;L/S ratio: 1000mLg−1. The pseudo-second order kinetic model showed the best adjustment to GC experimental data. Both the first and second order kinetic models fitted well to PC experimental data. The ion exchange was the dominant phenomenon on the Cr3+ adsorption by GC sample. Also, this char significantly reduced the ecotoxicity of Cr3+ solutions for the bacterium Vibrio fischeri. GC char proved to be an efficient material to remove Cr3+ from aqueous solution, without the need for further activation.

Dupont, J, Simon NM, Zanatta M, dos Santos FP, Corvo MC, Cabrita EJ.  2017.  Carbon dioxide capture by aqueous ionic liquid solutions. ChemSusChem. Abstract
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