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2017
Sanchez-Sobrado, Olalla, Manuel J. Mendes, Sirazul Haque, Tiago Mateus, Andreia Araujo, Hugo Aguas, Elvira Fortunato, and Rodrigo Martins. "{Colloidal-lithographed TiO2 photonic nanostructures for solar cell light trapping}." J. Mater. Chem. C (2017). Abstract
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Salgado, Marta, Filipa Santos, Soraya Rodríguez-Rojo, Rui L. Reis, Ana Rita C. Duarte, and María José Cocero. "{Development of barley and yeast $\beta$-glucan aerogels for drug delivery by supercritical fluids}." Journal of CO2 Utilization. 22 (2017): 262-269. AbstractWebsite

Polysaccharide aerogels are a good alternative as carriers for drug delivery, since they allow high loading of the active compounds in matrices that are non-toxic, biocompatible and from a renewable feedstock. In this work, barley and yeast $\beta$-glucans aerogels were produced by gelation in aqueous solution, followed by solvent exchange and drying with supercritical CO2. First, viscoelastic properties and melting profile of the hydrogels were determined. Then, the obtained aerogels were analyzed regarding morphology, mechanical properties and behavior in physiological fluid. Both in the hydrogels and in the aerogels, big differences were observed between barley and yeast $\beta$-glucans due to their different chain structure and gelation behavior. Finally, impregnation of acetylsalicylic acid was performed at the same time as the drying of the alcogels with supercritical CO2. The release profile of the drug in PBS was analyzed in order to determine the mechanism governing the release from the $\beta$-glucan matrix. 2017 Elsevier Ltd. All rights reserved.

Silva, Joana M., Luísa C. Rodrigues, Simone S. Silva, Rui L. Reis, and Ana Rita C. Duarte. "{Engineered tubular structures based on chitosan for tissue engineering applications}." Journal of Biomaterials Applications (2017): 088532821774469. AbstractWebsite
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Barros, Alexandre A., Joana M. Silva, Rita Craveiro, Alexandre Paiva, Rui L. Reis, and Ana Rita C. Duarte. "{Green solvents for enhanced impregnation processes in biomedicine}." Current Opinion in Green and Sustainable Chemistry. 5 (2017): 82-87. AbstractWebsite

Supercritical carbon dioxide has been used as a green solvent due to their well-known potential in biomaterials impregnation. The versatility of this technique enables the loading of implants with Active Pharmaceutical Ingredients which present several benefits when compared with traditional techniques to impregnate active compounds. In this review, we have summarized the recent progresses achieved in supercritical CO2assisted impregnation of active compounds and therapeutic deep eutectic systems for biomedical applications.

Pohl, Randolf, Fran{\c c}ois Nez, Luis M. P. Fernandes, Marwan Abdou Ahmed, Fernando D. Amaro, Pedro Amaro, Fran{\c c}ois Biraben, João M. R. Cardoso, Daniel S. Covita, Andreas Dax, Satish Dhawan, Marc Diepold, Beatrice Franke, Sandrine Galtier, Adolf Giesen, Andrea L. Gouvea, Johannes Götzfried, Thomas Graf, Theodor W. Hänsch, Malte Hildebrandt, Paul Indelicato, Lucile Julien, Klaus Kirch, Andreas Knecht, Paul Knowles, Franz Kottmann, Julian J. Krauth, Eric-Olivier Le Bigot, Yi-Wei Liu, José A. M. Lopes, Livia Ludhova, Jorge Machado, Cristina M. B. Monteiro, Fran{\c c}oise Mulhauser, Tobias Nebel, Paul Rabinowitz, Joaquim M. F. dos Santos, José Paulo Santos, Lukas A. Schaller, Karsten Schuhmann, Catherine Schwob, Csilla I. Szabo, David Taqqu, João F. C. A. Veloso, Andreas Voss, Birgit Weichelt, and Aldo Antognini. "{Laser Spectroscopy of Muonic Atoms and Ions}." Proceedings of the 12th International Conference on Low Energy Antiproton Physics (LEAP2016). Journal of the Physical Society of Japan, 2017. Abstract
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Marouf, S., A. Beniaiche, K. Kardarian, MJ Mendes, O. Sanchez-Sobrado, H. Águas, E. Fortunato, and R. Martins. "{Low-temperature spray-coating of high-performing ZnO:Al films for transparent electronics}." Journal of Analytical and Applied Pyrolysis. 127 (2017). Abstract

© 2017 Elsevier B.V. Ultrasonic spray pyrolysis deposition of ZnO-based materials offers an attractive high-throughput low-cost route towards industrial production of high-quality transparent conductive oxide (TCO) thin-films. In this work, undoped and aluminium-doped ZnO films have been grown employing ultrasonic spray pyrolysis at relatively low-temperate (300 °C), followed by a post-annealing treatment. The role of Al concentration in the starting solution, as well as the rapid thermal annealing (RTA) atmosphere, were investigated and correlated to the morphological, structural, electrical and optical properties of the films. The remarkable enhancement of electrical conductivity attained here is mainly ascribed to the combined effects of: (1) homogenous incorporation of Al3+into the ZnO matrix, which enhances crystal quality providing higher electronic mobility; and (2) the RTA which releases the localized electrons caused by oxygen absorption and thereby increases the free carrier density. Under optimum deposition conditions, a low resistivity and a high optical transmittance around 4 × 10−3$Ømega$ cm and 87{%}, respectively, were obtained. The application of the RTA post-process after low temperature growth has several advantages relative to the direct growth at high temperature (usually 400–575 °C), such as shorter growth time and lower cost associated to the spray pyrolysis equipment requirements and usage. The results suggest that the electrical and optical properties of the ZnO:Al films can be further improved for solar cell applications by controlling the temperature of the post-deposition annealing in reducing atmosphere.

Salgado, M., S. Rodríguez-Rojo, R. L. Reis, M. J. Cocero, and A. R. C. Duarte. "{Preparation of barley and yeast $\beta$-glucan scaffolds by hydrogel foaming: Evaluation of dexamethasone release}." Journal of Supercritical Fluids (2017). Abstract

© 2017 Elsevier B.V. Porous polymeric materials are studied in tissue engineering, because they can act as support for cell proliferation and as drug delivery vehicles for regeneration of tissues. Hydrogel foaming with supercritical CO 2 is a suitable alternative for the creation of these structures, since it avoids the use of organic solvents and high temperature in the processing. In this work, $\beta$-glucans were used as raw materials to create hydrogels due to their easily gelation and biological properties. The enhancement of porosity was generated by a fast decompression after keeping the hydrogels in contact with CO 2 . The effect of the processing conditions and type of $\beta$-glucan in the final properties was assessed regarding morphological and mechanical properties. Finally, the ability of these materials to sustainably deliver dexamethasone was evaluated. The scaffolds had good morphology and provided a controlled release, thus being suitable to be used as scaffolds and drug delivery vehicles.

Mano, Francisca, Marta Martins, Isabel Sá-Nogueira, Susana Barreiros, João Paulo Borges, Rui L. Reis, Ana Rita C. Duarte, and Alexandre Paiva. "{Production of Electrospun Fast-Dissolving Drug Delivery Systems with Therapeutic Eutectic Systems Encapsulated in Gelatin}." AAPS PharmSciTech (2017). 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.

Pardal, T., S. Messias, M. Sousa, A. S. R. Machado, C. M. Rangel, D. Nunes, JV Pinto, R. Martins, and M. N. {Da Ponte}. "{Syngas production by electrochemical CO2 reduction in an ionic liquid based-electrolyte}." Journal of CO2 Utilization. 18 (2017). Abstract

© 2017 Elsevier Ltd. Graphical abstract: The electrochemical reduction of carbon dioxide dissolved in a solution of water and ionic liquid as electrolyte, at high-pressure and near room-temperature, is reported. This work describes an electro-deposition strategy for the preparation of copper substrate cathodes, coated with bimetallic zinc-copper films, obtained from deep-eutectic solvents plating baths. The prepared bimetallic cathodes showed electrochemical activity for syngas production in 1-butyl-3-methylimidazolium triflate, with yields of 85N$μ$L (normal microliter)cm−2C−1/170N$μ$Lcm−2h−1, high selectivities, tunable H2/CO ratio and low energetic requirements.

Lourenço, P., B. J. Guerreiro, P. Batista, P. Oliveira, and C. Silvestre. "{Uncertainty Characterization of the Orthogonal Procrustes Problem with Arbitrary Covariance Matrices}." Pattern Recognition. 61 (2017): 210-220. Abstract
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Lourenço, P., B. J. Guerreiro, P. Batista, P. Oliveira, and C. Silvestre. "{Uncertainty Characterization of the Orthogonal Procrustes Problem with Arbitrary Covariance Matrices}." Pattern Recognition. 61 (2017): 210-220. Abstract
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2016
Doutor, Paulo, Paula Rodrigues, Maria Ceu do Soares, and Fabio A. C. C. Chalub. "Optimal vaccination strategies and rational behaviour in seasonal epidemics." JOURNAL OF MATHEMATICAL BIOLOGY. 73 (2016): 1437-1465. Abstract

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Cardoso, Pedro, Pedro Amaro, Jose Paulo Santos, Joaquim T. de Assis, and Maria Luisa Carvalho. "Determination of Nickel and Manganese Contaminants in Pharmaceutical Iron Supplements using Energy Dispersive X-ray Fluorescence." Applied Spectroscopy (2016). AbstractWebsite

In this study, we investigate the capability of energy dispersive X-ray fluorescence (EDXF) spectrometry in a triaxial geometry apparatus as a fast and nondestructive determination method of both dominant and contaminant elements in pharmaceutical iron supplements. The following iron supplements brands with their respective active ingredients were analyzed: Neutrofer fólico (iron gylcinate), Anemifer (iron(II) sulfate monohydrate), Noripurum (iron(III)-hydroxide polymaltose complex), Sulferbel (iron(II) sulfate monohydrate), and Combiron Fólico (carbonyl iron). Although we observe a good agreement between the iron content obtained by the present method and that indicated in the supplement's prescribed dose, we observe contamination by manganese and nickel of up to 180 μg and 36 μg, respectively. These contents correspond to 7.2% and 14.4% of the permitted daily exposure of manganese and nickel, respectively, for an average adult individual as determined by the European Medicine Agency (EMEA). The method was successfully validated against the concentrations of several certified reference materials of biological light matrices with similar concentrations of contaminants. Moreover, we also validated our method by comparing the concentrations with those obtained with the inductively coupled plasma-atomic emission technique.

Almeida, Bernardo F., Isabel Correia, and Francisco Saldanha-da-Gama. "Priority-based heuristics for the multi-skill resource constrained project scheduling problem." Expert Systems with Applications. 57 (2016): 91-103. AbstractWebsite
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Ito, Y., T. Tochio, H. Ohashi, M. Yamashita, S. Fukushima, M. Polasik, K. Słabkowska, Ł. Syrocki, E. Szymańska, J. Rzadkiewicz, P. Indelicato, J. P. Marques, M. C. Martins, J. P. Santos, and F. Parente. "Kα1,2x-ray linewidths, asymmetry indices, and [KM]shake probabilities in elements Ca to Ge and comparison with theory for Ca, Ti, and Ge." Physical Review A. 94 (2016): 042506-11. AbstractWebsite
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Marques, J. P., P. Indelicato, F. Parente, J. M. Sampaio, and J. P. Santos. "Ground-state Landé <span class="aps-inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML"><mi>g</mi></math></span> factors for selected ions along the boron isoelectronic sequence." Physical Review A. 94 (2016): 042504. AbstractWebsite

Land\'e $g$ factors for the fine-structure $1{s}^{2}2{s}^{2}2p\phantom{\rule{0.16em}{0ex}}^{2}P_{1/2}$ and $^{2}P_{3/2}$ levels in the boron isoelectronic sequence for selected $Z$ values have been calculated using the multiconfiguration Dirac-Fock method with both quantum-electrodynamic and electronic correlation corrections included. All-order Breit and vacuum polarization corrections were included in the calculation, with a fully optimized active set wave function. The results are compared with the available theoretical data, showing a very good agreement.

Marques, J. P., P. Indelicato, F. Parente, J. M. Sampaio, and J. P. Santos. "Ground-state Landé g factors for selected ions along the boron isoelectronic sequence." Physical Review A. 94 (2016): 042504. AbstractWebsite

Land\'e $g$ factors for the fine-structure $1{s}^{2}2{s}^{2}2p\phantom{\rule{0.16em}{0ex}}^{2}P_{1/2}$ and $^{2}P_{3/2}$ levels in the boron isoelectronic sequence for selected $Z$ values have been calculated using the multiconfiguration Dirac-Fock method with both quantum-electrodynamic and electronic correlation corrections included. All-order Breit and vacuum polarization corrections were included in the calculation, with a fully optimized active set wave function. The results are compared with the available theoretical data, showing a very good agreement.

Sampaio, J. M., T. I. Madeira, M. Guerra, F. Parente, P. Indelicato, J. P. Santos, and J. P. Marques. "Relativistic calculations of K-, L- and M-shell X-ray production cross-sections by electron impact for Ne, Ar, Kr, Xe, Rn and Uuo." Journal of Quantitative Spectroscopy and Radiative Transfer. 182 (2016): 87-93. AbstractWebsite

Journal of Quantitative Spectroscopy and Radiative Transfer, 182 + (2016) 87-93. doi:10.1016/j.jqsrt.2016.05.012

Branquinho, Rita, Ana Santa, Emanuel Carlos, Daniela Salgueiro, Pedro Barquinha, Rodrigo Martins, and Elvira Fortunato. "{Solution Combustion Synthesis: Applications in Oxide Electronics}." Developments in Combustion Technology. Eds. Kyprianidis G. Konstantinos, and Jan Skvaril. InTech, 2016. 397-417. Abstract

Oxide-based electronics have been well established as an alternative to silicon technology; however, typical processing requires complex, high-vacuum equipment, which is a major drawback, particularly when targeting low-cost applications. The possibility to deposit the materials by low-cost techniques such as inkjet printing has drawn tremendous interest in solution processible materials for electronic applications; however, high processing temperatures still required. To overcome this issue, solution combustion synthesis has been recently pursued. Taking advantage of the exothermic nature of the reaction as a source of energy for localized heating, the precursor solutions can be converted into oxides at lower process temperatures. Theoretically, this can be applied to any metal ions to produce the desired oxide, opening unlimited possibilities to materials' composition and combinations. Solution combustion synthesis has been applied for the production of semiconductor thin films based on ZnO, In2O3, SnO2 and combinations of these oxides, and also for high $ąppa$ dielectrics (Al2O3). All of which are required for numerous electronic devices and applications such as fully oxide-based thin-film transistors (TFTs). The properties of produced thin films are highly dependent on the precursor solution characteristics; hence, the influence of several processing parameters; organic fuel, solvent and annealing temperature was studied. Although precursor solution degradation/oxide formation mechanisms are not yet fully understood, particularly for thin films, we demonstrate that high-performance devices are obtained with combustion solution-based metal oxide thin films. The results clearly show that solution combustion synthesis is becoming one of the most promising methods for low-temperature flexible electronics.

Lorenz, M., et al. "{The 2016 oxide electronic materials and oxide interfaces roadmap}." Journal of Physics D: Applied Physics. 49 (2016): 433001. AbstractWebsite

Oxide electronic materials provide a plethora of possible applications and offer ample opportunity for scientists to probe into some of the exciting and intriguing phenomena exhibited by oxide systems and oxide interfaces. In addition to the already diverse spectrum of properties, the nanoscale form of oxides provides a new dimension of hitherto unknown phenomena due to the increased surface-to-volume ratio. Oxide electronic materials are becoming increasingly important in a wide range of applications including transparent electronics, optoelectronics, magnetoelectronics, photonics, spintronics, thermoelectrics, piezoelectrics, power harvesting, hydrogen storage and environmental waste management. Synthesis and fabrication of these materials, as well as processing into particular device structures to suit a specific application is still a challenge. Further, characterization of these materials to understand the tunability of their properties and the novel properties that evolve due to their nanostructured nature is another facet of the challenge. The research related to the oxide electronic field is at an impressionable stage, and this has motivated us to contribute with a roadmap on 'oxide electronic materials and oxide interfaces'. This roadmap envisages the potential applications of oxide materials in cutting edge technologies and focuses on the necessary advances required to implement these materials, including both conventional and novel techniques for the synthesis, characterization, processing and fabrication of nanostructured oxides and oxide-based devices. The contents of this roadmap will highlight the functional and correlated properties of oxides in bulk, nano, thin film, multilayer and heterostructure forms, as well as the theoretical considerations behind both present and future applications in many technologically important areas as pointed out by Venkatesan. The contributions in this roadmap span several thematic groups which are represented by the following authors: novel field effect transistors and bipolar devices by Fortunato, Grundmann, Boschker, Rao, and Rogers; energy conversion and saving by Zaban, Weidenkaff, and Murakami; new opportunities of photonics by Fompeyrine, and Zuniga-Perez; multiferroic materials including novel phenomena by Ramesh, Spaldin, Mertig, Lorenz, Srinivasan, and Prellier; and concepts for topological oxide electronics by Kawasaki, Pentcheva, and Gegenwart. Finally, Miletto Granozio presents the European action 'towards oxide-based electronics' which develops an oxide electronics roadmap with emphasis on future nonvolatile memories and the required technologies. In summary, we do hope that this oxide roadmap appears as an interesting up-to-date snapshot on one of the most exciting and active areas of solid state physics, materials science, and chemistry, which even after many years of very successful development shows in short intervals novel insights and achievements.

Rahangdale, H. V., D. Mitra, P. K. Das, S. De, M. Guerra, J. P. Santos, and S. Saha. "Spectroscopic investigations of L-shell ionization in heavy elements by electron impact." Journal of Quantitative Spectroscopy and Radiative Transfer. 174 (2016): 79-87. AbstractWebsite

Journal of Quantitative Spectroscopy and Radiative Transfer, 174 + (2016) 79-87. doi:10.1016/j.jqsrt.2016.01.026

Amaro, Pedro, Filippo Fratini, Laleh Safari, Jorge Machado, Mauro Guerra, Paul Indelicato, and Jose Paulo Santos. "Relativistic evaluation of the two-photon decay of the metastable 1s22s2p 3P0 state in berylliumlike ions with an effective-potential model." Physical Review A. 93 (2016): 032502-8. AbstractWebsite

The two-photon $1{s}^{2}2s2p\phantom{\rule{0.16em}{0ex}}{}^{3}{P}_{0}\ensuremath{\rightarrow}1{s}^{2}{s}^{2}\phantom{\rule{0.16em}{0ex}}{}^{1}{S}_{0}$ transition in berylliumlike ions is investigated theoretically within a fully relativistic framework and a second-order perturbation theory. We focus our analysis on how electron correlation, as well as the negative-energy spectrum, can affect the forbidden $E1M1$ decay rate. For this purpose, we include the electronic correlation via an effective local potential and within a single-configuration-state model. Due to its experimental interest, evaluations of decay rates are performed for berylliumlike xenon and uranium. We find that the negative-energy contribution can be neglected at the present level of accuracy in the evaluation of the decay rate. On the other hand, if contributions of electronic correlation are not carefully taken into account, it may change the lifetime of the metastable state by up to 20%. By performing a fully relativistic $jj$-coupling calculation, we find a decrease of the decay rate by two orders of magnitude compared to nonrelativistic $LS$-coupling calculations, for the selected heavy ions.

Amaro, Pedro, Filippo Fratini, Laleh Safari, Jorge Machado, Mauro Guerra, Paul Indelicato, and José Paulo Santos. "{Relativistic evaluation of the two-photon decay of the metastable $1s^2\,2s\,2p\,^3P_0$ state in berylliumlike ions with an effective-potential model}." Physical Review A. 93 (2016): 032502. AbstractWebsite
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Sampaio, J. M., M. Guerra, F. Parente, T. I. Madeira, P. Indelicato, J. P. Santos, and J. P. Marques. "Calculations of photo-induced X-ray production cross-sections in the energy range 1–150 keV and average fluorescence yields for Zn, Cd and Hg." Atomic Data and Nuclear Data Tables. 111-112 (2016): 67-86. AbstractWebsite

Atomic Data and Nuclear Data Tables, 111-112 (2016) 67-86. doi:10.1016/j.adt.2016.02.001