Shaping helical electrospun filaments: a review - Silva, P. E. S.; Vistulo de Abreu, F.; M. H. Godinho (Soft Matter, 2017)
Nature abounds with helical filaments designed for specific tasks. For instance, some plants use tendrils to coil and attach to the surroundings, while Spiroplasma, a helical bacterium, moves by inverting the helical handedness along the filament axis. Therefore, developing methods to shape filaments on demand to exhibit a diversity of physical properties and shapes could be of interest to many fields, such as the textile industry, biomedicine or nanotechnology. Electrospinning is a simple and versatile technique that allows the production of micro and nanofibres with many different helical shapes. In this work, we review the different electrospinning procedures that can be used to obtain helical shapes similar to those found in natural materials. These techniques also demonstrate that the creation of helical shapes at the micro/nanoscale is not limited by the chirality of the building blocks at the molecular level, a finding which opens new horizons on filament shaping.
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Smuggling gold nanoparticles across cell types – A new role for exosomes in gene silencing - Catarina Roma-Rodrigues; Pereira, Francisca; Alves de Matos, António P.; Fernandes, Marta; Pedro V. Baptista; Alexandra R. Fernandes (2017)
Once released to the extracellular space, exosomes enable the transfer of proteins, lipids and RNA between different cells, being able to modulate the recipient cells' phenotypes. Members of the Rab small GTP-binding protein family, such as RAB27A, are responsible for the coordination of several steps in vesicle trafficking, including budding, mobility, docking and fusion. The use of gold nanoparticles (AuNPs) for gene silencing is considered a cutting-edge technology. Here, AuNPs were functionalized with thiolated oligonucleotides anti-RAB27A (AuNP@PEG@anti-RAB27A) for selective silencing of the gene with a consequent decrease of exosomes´ release by MCF-7 and MDA-MB-453 cells. Furthermore, communication between tumor and normal cells was observed both in terms of alterations in c-Myc gene expression and transportation of the AuNPs, mediating gene silencing in secondary cells.
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Keywords: Breast cancer; Cell–cell communication; Exosomes; Gene silencing; Gold nanoparticles

Structure, electrocatalysis and dynamics of immobilized cytochrome PccH and its microperoxidase - Silveira, Celia M.; Castro, Maria A.; Joana M Dantas; Salgueiro, Carlos; Murgida, Daniel H.; Todorovic, Smilja (Physical Chemistry Chemical Physics, 2017)
Geobacter sulfurreducens cells have the ability to exchange electrons with conductive materials, and the periplasmic cytochrome PccH plays an essential role in the direct electrode-to-cell electron transfer in this bacterium. It has atypically low redox potential and unique structural features that differ from those observed in other c-type cytochromes. We report surface enhanced resonance Raman spectroscopic and electrochemical characterization of the immobilized PccH, together with molecular dynamics simulations that allow for the rationalization of experimental observations. Upon attachment to electrodes functionalized with partially or fully hydrophobic self-assembled monolayers, PccH displays a distribution of native and non-native heme spin configurations, similar to those observed in horse heart cytochrome c. The native structural and thermodynamic features of PccH are preserved upon attachment mixed hydrophobic (-CH3/-NH2) surfaces, while pure -OH, -NH2 and -COOH surfaces do not provide suitable platforms for its adsorption, indicating that its still unknown physiological redox partner might be membrane integrated. Neither of the employed immobilization strategies results in electrocatalytically active PccH capable of the reduction of hydrogen peroxide. Pseudoperoxidase activity is observed in immobilized microperoxidase, which is enzymatically produced from PccH and spectroscopically characterized. Further improvement of PccH microperoxidase stability is required for its application in electrochemical biosensing of hydrogen peroxide.
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Synthesis of Cadmium Selenide Quantum Dots, Using 2,2-Bipyridine as a Capping and Phase Transfer Agent - Sousa, D. M.; J. C. Lima; Ferreira, I. (Chemistryselect, 2017)
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Times Cited: 0Sousa, David M. Lima, Joao Carlos Ferreira, Isabel Lima, Joao/F-3658-2010 Lima, Joao/0000-0003-0528-1967; Sousa, David/0000-0002-9810-2798

Tetramethylguanidine-based gels and colloids of cellulose - Carrera, G. V. S. M.; Raymundo, A.; Fernandes, F. M. B.; Jordao, N.; Sousa, I.; da Ponte, M. N.; Branco, L. C. (Carbohydrate Polymers, 2017)
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Times Cited: 0Carrera, Goncalo V. S. M. Raymundo, Anabela Braz Fernandes, Francisco M. Jordao, Noemi Sousa, Isabel da Ponte, Manuel Nunes Branco, Luis C. Branco, Luis/C-6426-2013; Braz Fernandes, Francisco Manuel/E-6176-2011; da Ponte, Manuel/B-3620-2010; Jordao, Noemi/C-6742-2013 Branco, Luis/0000-0003-2520-1151; Braz Fernandes, Francisco Manuel/0000-0003-3185-0019; da Ponte, Manuel/0000-0003-4499-4521; Jordao, Noemi/0000-0001-9769-1976 1879-1344

Understanding the response of Desulfovibrio desulfuricans ATCC 27774 to the electron acceptors nitrate and sulfate - biosynthetic costs modulate substrate selection - Sousa, Joana R.; Silveira, Célia M.; Fontes, Pedro; Catarina Roma-Rodrigues; Alexandra R. Fernandes; Van Driessche, Gonzalez; Devreese, Bart; Moura, Isabel; Moura, José J. G.; Almeida, M. Gabriela (2017)
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Keywords: Ammonium assimilation; ATCC 27774; Energy metabolism; Nitrate reduction; Proteomics; Respiratory flexibility

MAPPING RESIDENTIAL THERMAL COMFORT GAP AT VERY HIGH RESOLUTION SPATIAL SCALE: IMPLICATIONS FOR ENERGY POLICY DESIGN - Gouveia, J. P.; Palma, P.; Seixas, J.; Simões, S. (40th International Association of Energy Economics International Conference, Meeting the Energy Demand of Emerging Economies. Implications for Energy and Environmental Markets, 2017)

Assessing the impact of climate extremes and energy use in crop production – EU28 agri-food suppliers - Brás, T.; Seixas, J. (Fifth Annual International Conference on Sustainable Development, 2017)

Trajetórias de descarbonização e impactos na matriz energética [Pathways for the decarbonisation and impact in the energy matrix] - Seixas, J.; Fortes, P.; Simões, S.; Gouveia, J. P. (Conferência A transição energética na Península Ibérica - Associação Portuguesa de Economia da Energia [Conference on the energy transition in the Iberian Peninsula of the APEEN – Portuguese Association for Energy Economy], 2017)

Assessing water needs for power production in Iberian Peninsula at watershed level - Simoes, S. G.; Marogna, N.; Fortes, P. (ETSAP Workshop on modelling the water-energy nexus, 2017)

Enhancement of the ETSAP E-Techs Database with water consumption and withdrawal data - Simoes, S. G.; Halstead, M.; Selosse, S.; E. Assoumou (ETSAP Workshop on modelling the water-energy nexus, 2017)

InSmart: Towards the New DSO Potential Roles in Low Carbon Future and Integrated Frameworks for Smart Cities. Poster - Nunes, V.; Gouveia, J. P.; Rodrigues, A.M.; Simão T. (CIRED 2017 Conference, 2017)

The Return of H2 – Challenges of Modelling H2 in TIMES - Simoes, S. G.; Barbosa, J.; Fazendeiro, L.; Seixas, J. (72nd Semi-annual ETSAP meeting, 2017)

Thermal Comfort in the Portuguese Households: Mapping Energy Needs at Civil Parish Level - Palma, P.; Gouveia, J. P.; Seixas, J.; Simões, S. (ME3 Conference - Meeting on Energy and Environmental Economics, 2017)

1H NMR Relaxometry and Diffusometry Study of Magnetic and Non-Magnetic Ionic Liquid-Based Solutions: Co-Solvent and Temperature Effects - Beira, Maria Jardim; Daniel, Carla I.; Almeida, Pedro L; Corvo, Marta C.; Rosatella, Andreia A.; Afonso, Carlos A. M.; Sebastiao, Pedro J. (The Journal of Physical Chemistry B, 2017)
In this work, 1H NMR relaxometry and diffusometry as well as viscometry experiments were carried out as a means to study the molecular dynamics of magnetic and non-magnetic ionic liquid-based systems. In order to evaluate the effect of a co-solvent on the super-paramagnetic properties observed for Aliquat-iron-based magnetic ionic liquids, mixtures comprising different concentrations, 1% and 10% (v/v), of DMSO-d6 were prepared and analyzed. The results suggest that, when at low concentrations, DMSO-d6 promotes more structured ionic arrangements, thus enhancing these super-paramagnetic properties. Furthermore, the analysis of temperature and water concentration effects allowed to conclude that neither one of these variables sufficiently affected the super-paramagnetic properties of the studied magnetic ionic liquids.
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abm presentation (2017)

Advances in electrochemically active bacteria: Physiology and ecology - Marques, AC; L. Santos; Dantas, J.M.; Gonçalves, A; Casaleiro, S; R. Martins; Salgueiro, C.A.; E. Fortunato (Handbook of Online and Near-real-time Methods in Microbiology, 2017)
The discovery of microorganisms with the ability of Extracellular Electron Transfer (EET), nearly three decades ago, sparked interest due to their ability to be used in diverse applications that can range from bioremediation to electricity production in Microbial Fuel Cells (MFC). Microbial respiration is based on electron transfer from a donor to an electron acceptor, through a series of stepwise electron transfer events that generate the necessary metabolic energy. Some microorganisms, such as Pseudomonas species, Shewanella putrefaciens or Geothrix fermentans are able to produce electrochemical mediators to increase the EET. The mechanical stability of the biofilm is provided by the biofilm matrix, a hydrated extracellular polymeric matrix that encases the biofilm cells. The biofilm matrix could potentially offer a resistance pathway to EET unless bacteria develop strategies to increase its conductivity. MFC devices currently being used and studied do not generate sufficient power to support widespread and cost-effective applications.

Assessing the impacts of climate change on hydropower generation and the power sector in Portugal: A partial equilibrium approach - Carla Teotónio; Patrícia Fortes; Peter Roebeling; Miguel Rodriguez; Margarita Robaina-Alves (Renewable and Sustainable Energy Reviews, 2017)

ATIVIDADE ANTIFÚNGICA DO PRÓPOLIS CONTRA DIFERENTES FUNGOS FITOPATOGÉNICOS - CLB2017 (2017)

AVALIAÇÃO DA COMPOSIÇÃO E DA ACTIVIDADE ANTIOXIDANTE - VII Congreso Apícola Hispanico (2017)

AVALIAÇÃO DA EFICÁCIA IN VITRO DE DIFERENTES EXTRATOS DE PRÓPOLIS E SEUS CONSTITUINTES - CLB2017 (2017)

AVALIAÇÃO DO POTENCIAL DE EXTRATOS DE PRÓPOLIS NA QUALIDADE DA PÊRA - IX-SIPC (2017)

AVALIAÇÃO DO POTENCIAL DO PRÓPOLIS NO CONTROLO DE FUNGOS FITOPATOGÉNICOS - XIII EQA (2017)

Bio-inspired production of chitosan/chitin films from liquid crystalline suspensions - João, Carlos; Coro Echeverria; Velhinho, Alexandre; Silva, Jorge Carvalho; Godinho, Maria Helena; Borges, João Paulo (Carbohydrate polymers, 2017)
Inspired by chitin based hierarchical structures observed in arthropods exoskeleton, this work reports the capturing of chitin nanowhiskers’ chiral nematic order into a chitosan matrix. For this purpose, highly crystalline chitin nanowhiskers (CTNW) with spindle-like morphology and average aspect ratio of 24.9 were produced by acid hydrolysis of chitin. CTNW were uniformly dispersed at different concentrations in aqueous suspensions. The suspensions liquid crystalline phase domain was determined by rheological measurements and polarized optical microscopy (POM). Chitosan (CS) was added to the CTNW isotropic, biphasic and anisotropic suspensions and the solvent was evaporated to allow films formation. The Films’ morphologies as well as the mechanical properties were explored. A correlation between experimental results and a theoretical model, for layered matrix’ structures with fibers acting as a reinforcement agent, was established. The results evidence the existence of two different layered structures, one formed by chitosan layers induced by the presence of chitin and another formed by chitin nanowhiskers layers. By playing on the ratio chitin/chitosan one layered structure or the other can be obtained allowing the tunning of materials’ mechanical properties.

A bird’s-eye view of denitrification in relation to the nitrogen cycle - Moura, I.; Maia, L. B.; Pauleta, S. R.; Moura, J. J. G. (Metalloenzymes in Denitrification: Applications and Environmental Impacts, RSC Metallobiology Series No. 9 (ISBN: 978-1-78262-376-2)., 2017)

Can green power lead to green growth? A study for Portugal - Fortes, P.; Proença, S.; Simoes, S. G.; Seixas, J. (15th IAEE European Conference "Heading towards sustainable energy systems: Evolution or Revolution?", 2017)

Carbon dioxide capture by aqueous ionic liquid solutions - Dupont, Jairton; Simon, Nathalia M; Zanatta, Marcileia; dos Santos, Francisco P; Corvo, Marta C.; Cabrita, Eurico J. (ChemSusChem, 2017)
Confined water in aqueous solutions of imidazolium-based ionic liquids (ILs) associated with acetate and imidazolate anions react reversibly with CO2 to yield bicarbonate. Three types of CO2 sorption in these “IL aqueous solutions” were observed: physical, CO2-imidazolium adduct generation, and bicarbonate formation (up to 1.9 molbicarbonate mol−1 of IL), resulting in a 10:1 (molar ratio) total absorption of CO2 relative to imidazolate anions in the presence of water 1:1000 (IL/water). These sorption values are higher than the classical alkanol amines or even alkaline aqueous solutions under similar experimental conditions.
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The catalytic cycle of nitrous oxide reductase - The enzyme that catalyzes the last step of denitrification - Carreira, C.; Pauleta, S. R.; Moura, I. (J Inorg Biochem, 2017)

Chiral amplification of disodium cromoglycate chromonics induced by a codeine derivative - F. Berride; E. Troche-Pesqueira; Feio, G.; E. J. Cabrita; T. Sierra; A. Navarro-Vázquez; M.M. Cid (Soft Matter, 2017)
Chromonic liquid crystals (CLC) are lyotropic phases formed by discotic mesogens in water. Simple chiral dopants such as amino acids have been reported to turn chromonic liquid crystals into their cholesteric counterparts. Here we report a chirality amplification effect in the nematic phase of a 9 wt% disodium cromoglycate (DSCG) lyotropic liquid crystal (LLC) upon doping with a water-soluble codeine derivative. The transition on cooling the isotropic to the nematic phase showed the presence of homochiral spindle-shaped droplets (tactoids). NMR DOSY experiments on a triple gradient probe revealed a small degree of diffusion anisotropy for the alkaloid embedded in the liquid crystal structure. These results in combination with XRD, CD and POM experiments agree with a supramolecular aggregation model based on simple columnar stacks.

Chitosan Inverted Colloidal Crystal scaffolds: Influence of molecular weight on structural stability - João, Carlos; Kullberg, Ana Teresa; Silva, Jorge Carvalho; Borges, João Paulo (Materials Letters, 2017)
Chitosan with three different molecular weights (538 ± 48, 229 ± 45 and 13 ± 3 kDa) was used to develop biodegradable Inverted Colloidal Crystal (ICC) scaffolds with uniform pore size and interconnected pore network. Mass loss and compression modulus were analyzed after hydrolytic degradation in order to understand the influence of molecular weight on structural and mechanical degradation of chitosan ICC structures. Results show that medium molecular weight chitosan (229 ± 45 kDa) retains ICC structure and compression modulus for an extended period (4 weeks) and is therefore the preferred one for the production of ICC for soft tissue engineering.

CIBEM presentation (2017)

Colloidal-lithographed TiO2 photonic nanostructures for solar cell light trapping - O. Sanchez-Sobrado; et al (J. Mater. Chem. C, 2017)

Comparative electrochemical behavior of cytochrome c on aqueous solutions containing choline-based room temperature ionic liquids - Matias, S.C.; N. M. T. Lourenço; Fonseca, J.P.; Cordas, C. M. (ChemistrySelect, 2017)

Comparing policy routes for low-carbon power technology deployment in EU – an energy system analysis - Simoes, Sofia; Nijs, Wouter; Pablo Ruiz; Sgobbi, Alessandra; Thiel, Christian (Energy Policy, 2017)

Customized Eddy Current Probes for Pipe Inspection - Miguel A. Machado; Luís Rosado; Nuno Pedrosa; Miranda, R.M.; Moisés Piedade; Telmo G. Santos (Studies in Applied Electromagnetics and Mechanics, 2017)
A novel Eddy Current (EC) probe configurations were developed to detect millimeter defects with any orientation on inner or outer pipe surfaces. The probes were designed and experimentally validated in different materials where the defects tested were identified with a high sensitivity and good signal-to-noise ratio.
https://www.doi.org/10.3233/978-1-61499-767-2-283

Daily Electricity Profiles from Smart Meters - Proxies of Active Behaviour for Space Heating and Cooling - Gouveia, J. P.; Seixas, J.; Mestre, A. (Energy, 2017)
Daily electricity consumption profiles from smart meters are explored as proxies of active behavior regarding space heating and cooling. The influence of the environment air temperature (multiple maximum and minimum daily thresholds) on electricity consumption was explored for a final sample of 19 households located in southwestern Europe (characterized by hot, dry summers and cool, wet winters), taking the full year of 2014. Statistical analysis of the deviations from hourly average electricity consumptions for each temperature thresholds was performed for each household. Firstly, these deviations could act as proxies highlighting possible lack of thermal comfort on space cooling, and partially on space heating, supported by door-to-door survey data, on socio-economic details of occupants, buildings bearing structure and equipment's ownership and use. Secondly, meaningful differences of consumers' behavior on electricity consumption pattern were identified as a response for space heating and cooling to the environment air temperatures thresholds. Additionally, statistical clusters of active and non-active behavior groups of households were assessed, showing the electricity use for space heating. This paper illustrates the importance of the widespread use of smart-meters data on the increasingly electrified buildings sector, to understand whether and how thermal comfort could be achieved through active climatization behavior of its occupants. This is particularly important in regions where automatic HVAC systems are almost absent.

Deep Eutectic Solvents as Suitable Electrolytes for Electrochromic Devices - Cruz, H.; N. Jordão; P. Amorim; M. Dionísio; Branco, L. C. (ACS Sustainable Chemistry and Engineering, 2017)
DOI: 10.1021/acssuschemeng.7b03684

Desulfurization Process conciliating Heterogeneous Oxidation and liquid extraction: Organic Solvent or Centrifugation/Water? - Ribeiro, Susana O.; Nogueira, Lucie S.; Gago, Sandra; Almeida, Pedro L; Corvo, Marta C.; Baltazar de Castro; Granadeiro, Carlos M.; Balula, Salete S. (Applied Catalysis A: General, 2017)
The present work presents a strategic oxidative desulfurization system able to efficiently operate under sustainable conditions, i.e. using an eco-friendly oxidant and without the need of extractive organic solvents. The catalytic performance of Eu(PW11O39)2@aptesSBA-15 was evaluated for the oxidative desulfurization of a multicomponent model diesel using a solvent-free or biphasic systems. The results reveal its remarkable desulfurization performance achieving complete desulfurization after just 2 h of reaction. Moreover, the composite has shown a high recycling ability without loss of catalytic activity for ten consecutive ODS cycles. Interestingly, under solvent-free conditions it was possible to maintain the desulfurization efficiency of the biphasic system while being able to avoid the use of harmful organic solvents. In this case, a successful extraction of oxidized sulfur compounds was found conciliating centrifugation and water as extraction solvent. Therefore, this work reports an important step towards the development of novel eco-sustainable desulfurization systems with high industrial interest.
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DEVELOPMENTS IN THE REACTIVITY OF 2-METHYL IMIDAZOLIUM SALTS - Peixoto, Daniela; Figueiredo, Margarida; Gawande, Manoj B; Corvo, Marta C.; Vanhoenacker, Gerd; Afonso, Carlos A. M.; Ferreira, Luisa Maria; Branco, Paula Serio (The Journal of Organic Chemistry, 2017)
Unexpected and unusual reactivity of 2-methylimidazolium salts toward aryl-N-sulfonylimines and aryl aldehydes is here reported. Upon reaction with aryl-N-sulfonylimines, the addition product, arylethyl-2-imidazolium-1-tosylamide (3), is formed with moderate to good yields, while upon reaction with aldehydes, the initial addition product (6) observed in NMR and HPLC–MS experimental analysis is postulated by us as an intermediate to the final conversion to carboxylic acids. Studies in the presence and absence of molecular oxygen allow us to conclude that the imidazolium salts is crucial for the oxidation. A detailed mechanistic study was carried out to provide insights regarding this unexpected reactivity.
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Electron transfer and molecular recognition in denitrification and nitrate dissimilatory pathways - Almeida, R. M.; Dell'Acqua, S.; Moura, I.; Pauleta, S. R.; Moura, J. J. G. (Metalloenzymes in Denitrification: Applications and Environmental Impacts, RSC Metallobiology Series No. 9 (ISBN: 978-1-78262-376-2)., 2017)

Electron transfer through arsenite oxidase: Insights into Rieske interaction with cytochrome c - Watson, C; Niks, D; Hille, R.; Schoepp-Cothenet, B; Marques, AT; Romão, M.J.; Santos-Silva, T.; Santini, JM (iochimica et Biophysica Acta - Bioenergetics, 2017)

Energy Savings Potential in Urban Rehabilitation: A Spatial-Based Methodology Applied to Historic Centres - Gregório, V.; Seixas, J. (Energy and Buildings, 2017)

The environmental impact of Li-Ion batteries and the role of key parameters - A review - Jens Peters; Baumann, Manuel; Zimmermann, B.; Braun, J.; Weil, Marcel (Renewable and Sustainable Energy Reviews, 2017)
The increasing presence of Li-Ion batteries (LIB) in mobile and stationary energy storage applications has triggered a growing interest in the environmental impacts associated with their production. Numerous studies on the potential environmental impacts of LIB production and LIB-based electric mobility are available, but these are very heterogeneous and the results are therefore difficult to compare. Furthermore, the source of inventory data, which is key to the outcome of any study, is often difficult to trace back. This paper provides a review of LCA studies on Li-Ion batteries, with a focus on the battery production process. All available original studies that explicitly assess LIB production are summarized, the sources of inventory data are traced back and the main assumptions are extracted in order to provide a quick overview of the technical key parameters used in each study. These key parameters are then compared with actual battery data from industry and research institutions. Based on the results from the reviewed studies, average values for the environmental impacts of LIB production are calculated and the relevance of different assumptions for the outcomes of the different studies is pointed out. On average, producing 1 Wh of storage capacity is associated with a cumulative energy demand of 328 Wh and causes greenhouse gas (GHG) emissions of 110 gCO2eq. Although the majority of existing studies focus on GHG emissions or energy demand, it can be shown that impacts in other categories such as toxicity might be even more important. Taking into account the importance of key parameters for the environmental performance of Li-Ion batteries, research efforts should not only focus on energy density but also on maximizing cycle life and charge-discharge efficiency.

Environmental impacts of different battery technologies in renewable hybrid micro-grids - Baumann, Manuel; Marcelino, C.; Jens Peters; Weil, Marcel; Almeida, P.; Wanner, E. (IEEE International Conference on Innovative Smart Grid Technologies, 2017)

EPR spectroscopy on mononuclear molybdenum-containing enzymes - Maia, L. B.; Moura, I.; Moura, J. J. G. (Future Directions in Metalloprotein and Metalloenzyme Research, Biological Magnetic Resonance, Vol. 33 (ISBN: 978-3-319-59100-1), 2017)
The biological relevance of molybdenum was demonstrated in the early 1950s-1960s, by Bray, Beinert, Lowe, Massey, Palmer, Ehrenberg, Pettersson, Vänngård, Hanson and others, with ground-breaking studies performed, precisely, by electron paramagnetic resonance (EPR) spectroscopy. Those earlier studies, aimed to investigate the mammalian xanthine oxidase and avian sulfite oxidase enzymes, demonstrated the surprising biological reduction of molybdenum to the paramagnetic Mo5+. Since then, EPR spectroscopy, alongside with other spectroscopic methods and X-ray crystallography, has contributed to our present detailed knowledge about the active site structures, catalytic mechanisms and structure/activity relationships of the molybdenum-containing enzymes. This Chapter will provide a perspective on the contribution that EPR spectroscopy has made to some selected systems. After a brief overview on molybdoenzymes, the Chapter will be focused on the EPR studies of mammalian xanthine oxidase, with a brief account on the prokaryotic aldehyde oxidoreductase, nicotinate dehydrogenase and carbon monoxide dehydrogenase, vertebrate sulfite oxidase, and prokaryotic formate dehydrogenases and nitrate reductases.

Evaluating and mapping the energy efficiency potential in the Building sector of the Almada Municipality - Sebastian, R.; Simoes, S. G. (Annual APEEN Conference, 2017)

Exploring emerging battery technology for grid-connected energy storage with Constructive Technology Assessment - Versteeg, Thom; Baumann, Manuel; Weil, Marcel; Moniz, António B. (Technological Forecasting and Social Change, 2017)
The last decades have shown an increasing amount of research into expectations of science and technology. Especially for emerging technologies, expectations held by different stakeholder are guiding the direction of research and development. In this article the results of an investigation into the expectations of specific actors regarding the development of emerging battery technology for applications in the power grid are presented. It is set up as an explorative study within the framework of Constructive Technology Assessment (CTA). A number of studies since the 1990s have indicated a growing need for energy storage options in the power grid, where batteries appear to be capable of providing a range of valuable services to the grid. Cost-effectiveness on a large scale will however require considerable technical improvements. The configuration of energy storage may differ in the specific location and exploitation of the storage assets, as well as in the investments in new storage capacity. In this study the visions and expectations of several relevant actors are analysed using interviews and surveys in terms of expectations of technological development, expectations concerning stakeholder roles, and channels of interaction between the relevant actors. The results indicate a divide in expectations between the user side of the technology (the electric power industry) and the development side (academic researchers). Opinions differ with respect to the obstacles to technological development, the actors relevant in early technological development, and the most suitable channels for interaction between these actors. It follows from the theoretical background that conflicts in expectations provide the opportunity for the acceleration of technological development and adoption through stakeholder participation. Small interactive workshops, where conflicts identified in this paper are discussed, were identified as a suitable channel in order to reach consensus in visions and expectations for battery technology.

Fluorescent and conductive cellulose acetate-based membranes with porphyrins - Delgado-Lima, Ana; Borges, João Paulo; Ferreira, Isabel; Machado, Ana (Materials today Communications, 2017)
The unique properties of electrospun nanofibers combined with functional compounds allow the preparation of novelty materials that can be employed in a wide range of applications. Among a vast number of polymers, Cellulose Acetate (CA) it is considered easy to electrospun and it was employed as the polymeric matrix, where free and iridium-porphyrins were incorporated. Two different solvent systems were employed according to the porphyrin used, and the best dispersion level on both the electrospun solution and the membranes, was achieved with the iridium porphyrin. The nanofibers with this porphyrin also exhibited electrical properties, while the fluorescence was quenched by the presence of specific axial ligands.

Fluorescent and conductive cellulose acetate-based membranes with porphyrins - A. Delgado-Lima; Borges, J. P.; Ferreira, I. M.; A. V. Machado (Materials Today Communications, 2017)
The unique properties of electrospun nanofibers combined with functional compounds allow the preparation of novelty materials that can be employed in a wide range of applications. Among a vast number of polymers, Cellulose Acetate (CA) it is considered easy to electrospun and it was employed as the polymeric matrix, where free and iridium-porphyrins were incorporated. Two different solvent systems were employed according to the porphyrin used, and the best dispersion level on both the electrospun solution and the membranes, was achieved with the iridium porphyrin. The nanofibers with this porphyrin also exhibited electrical properties, while the fluorescence was quenched by the presence of specific axial ligands.

The future of protein scaffolds as affinity reagents for purification - Ana M G C Dias; Roque, Ana C A (Biotechnology and Bioengineering, 2017)
Affinity purification is one of the most powerful separation techniques extensively employed both at laboratory and production scales. While antibodies still represent the gold standard affinity reagents, others derived from non-immunoglobulin scaffolds emerged as interesting alternatives in particular for affinity purification. The lower costs of production, fast ligand development and high robustness are appealing advantages of non-immunoglobulin scaffolds. These have successfully been used in the affinity purification of relevant targets as antibodies, human serum albumin, transferrin and other biomarkers, as reviewed in this work. Furthermore, a critical assessment on the strengths, weaknesses, opportunities and threats related with the implementation of non-immunoglobulin scaffolds as ligands in affinity purification are discussed. This article is protected by copyright. All rights reserved.
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Keywords: Affinity Ligands; Affinity purification; biopharmaceuticals; downstream processing; non-immunoglobulin; protein scaffolds

Gold Nanoparticle Approach to the Selective Delivery of Gene Silencing in Cancer—The Case for Combined Delivery? - Rita Mendes; Alexandra R. Fernandes; Pedro V. Baptista (Genes, 2017)
Gene therapy arises as a great promise for cancer therapeutics due to its potential to silence genes involved in tumor development. In fact, there are some pivotal gene drivers that suffer critical alterations leading to cell transformation and ultimately to tumor growth. In this vein, gene silencing has been proposed as an active tool to selectively silence these molecular triggers of cancer, thus improving treatment. However, naked nucleic acid (DNA/RNA) sequences are reported to have a short lifetime in the body, promptly degraded by circulating enzymes, which in turn speed up elimination and decrease the therapeutic potential of these drugs. The use of nanoparticles for the effective delivery of these silencers to the specific target locations has allowed researchers to overcome this issue. Particularly, gold nanoparticles (AuNPs) have been used as attractive vehicles for the target-specific delivery of gene-silencing moieties, alone or in combination with other drugs. We shall discuss current trends in AuNP-based delivery of gene-silencing tools, considering the promising road ahead without overlooking existing concerns for their translation to clinics

Herausforderungen der Mensch-Roboter-Kollaboration - Fischer, Martin; Bettina-Johanna Krings; António Brandão Moniz; Zimpelmann, Eike (Lernen & Lehren, 2017)

Historical reproduction of grisailles according to treatises and recipe books dated from the 10th to the 19th century - Carla Machado; Andreia Machado; Luis C. Alves; Vilarigues, Márcia (ICOM-CC 18th Triennial Conference Preprints, 2017)

History of materials: a new tool for conservation of glass and ceramics; Education and Research in Conservation – Restoration - Carla Machado; Fernanda Carvalho; Marta Costa; Sara Martins; Andreia Machado; Ruivo, Andreia; Augusta Lima; Ferreira, Joana Lia; Vilarigues, Márcia (ENCoRE 2016, 2017)

Hybrid Magnetic-Polymeric Iron Oxide Nanoprobes for Magnetic Resonance Imaging - Susana I C J Palma; Roque, Ana C A (Journal of Nanoscience and Nanotechnology, 2017)
In the last decades, the advent of nanotechnology has driven the study and application of nanoscale versions of magnetic materials. Among the various nanoparticles under research, iron oxide magnetic nanoparticles (MNP), namely iron oxides magnetite (Fe3O4) and maghemite (γ-Fe2O3), have attracted particular interest due to their superparamagnetism, biocompatibility and biodegradability. MNP are thus ideal platforms to work on a cellular and molecular level in several biomedical applications. In particular, the use of MNP as contrast agents for biomedical imaging through Magnetic Resonance Imaging (MRI) has been explored extensively in the last 30 years, taking advantage of the versatility of MNP functionalization due to the available large surface-to-volume ratio. Polymers, either synthetic or natural, are the most common class of materials employed as coatings for MNP, allowing to customize nanoprobes properties such as size, shape, magnetic relaxation, as well as cell-nanoprobe interactions (for example, specificity towards tissue types, responsiveness to cellular environment features), therapeutic effects or combination with other imaging modalities. While most biopolymers have intrinsic biocompatibility and biodegradability properties and are greener products, synthetic polymers offer engineering versatility and possibility of being tailor-made with specific properties. This review covers the properties of nanoscale iron oxides, production and stabilization methods of such nanoparticles, and their biomedical applications, mainly focusing on the engineering of polymeric-MNP assemblies towards the development of new hybrid magnetic-polymeric MRI nanoprobes.

Hybrid polysaccharide-based systems for biomedical applications - Paula I P Soares; Coro Echeverria; Baptista, Ana Catarina; João, Carlos; Fernandes, Susete; Almeida, Ana; Silva, Jorge Carvalho; Godinho, Maria Helena; Borges, João Paulo (Hybrid Polymer Composite Materials: Applications, 2017)
Hybrid materials have been widely studied for structural applications. Polysaccharide-based fibers, especially cellulosic fibers, have been explored in the last two decades as substitutes of the traditional reinforcements made of glass or carbon fibers due to their mechanical properties. However, their biocompatibility, biodegradability, and chemistry have attracted the researchers and new developments in the field of smart and functional materials arise in diverse applications. This chapter will focus on the biomedical applications of polysaccharide-based smart and functional materials, namely those concerning biosensors and actuators, theranostic systems, and tissue-engineering applications. Special attention will be given to cellulose- and chitin/chitosan-based hybrid materials because these are the two most abundant polysaccharides and probably the most promising for the development of hybrid materials for biomedical applications. Biomimetic strategies for the development of smart and functional hybrid materials will also be highlighted.

Hydrolysis of Peptidoglycan is Modulated by Amidation of meso-Diaminopimelic Acid and Mg2+ in Bacillus subtilis - A. Dajkovic; B. Tesson; S. Chauhan; P. Courtin; R. Keary; P. Flores; C. Marliere; S. R. Filipe; M-P. Chapot-Chartier; R. Carballido-Lopez (Mol. Microbiol, 2017)

Imagined technology futures in demand-oriented technology assessment - Bettina-Johanna Krings; Michael Decker; Nora Weinberger; Johannes Hirsch (Journal of Responsible Innovation, 2017)

Impact of modelling geographical disaggregation of wind and PV electricity generation in large energy system models: a case study for Austria - Simões, Sofia; Marianne Zeyringer; Dieter Mayr; Johannes Schmidt (Renewable Energy Journal, 2017)

The Impact of the Evolution of Modern Technology on Public Glass Art - Faghihi, P.; T. Almeida; F. Quintas (Arte Pública na Era da Criatividade Digital. Atas do Colóquio Internacional 2017. Public Art in the Digital Creativity Era. International Conference Proceedings 2017, 2017)

Improved thermoelectric properties of nanocrystalline hydrogenated silicon thin films by post-deposition thermal annealing - Loureiro, J.; T. Mateus; S. Filonovich; M. Ferreira; J. Figueira; Rodrigues, A.; B. F. Donovan; P. E. Hopkins; Ferreira, I. (Thin Solid Films, 2017)
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.

Insights into nitrous oxide reductase - Pauleta, S. R.; Carreira, C.; Moura, I. (Metalloenzymes in Denitrification: Applications and Environmental Impacts, RSC Metallobiology Series No. 9 (ISBN: 978-1-78262-376-2)., 2017)

Insights into the molybdenum/copper heterometallic cluster assembly in the orange protein: probing intermolecular interactions with an artificial metal-binding ATCUN tag - B.K. Maiti; Almeida, R. M.; Maia, L. B.; Moura, I.; Moura, J. J. G. (Inorg Chem, 2017)

Insights into the recognition and electron transfer steps in nitric oxide reductase from Marinobacter hydrocarbonoclasticus - Ramos, S.; Almeida, R. M.; Cordas, C. M.; Moura, J. J. G.; Pauleta, S. R.; Moura, I. (J Inorg Biochem, 2017)

An Integrated Planning Framework for the Development of Sustainable and Resilient Cities - The Case of the InSMART Project - Gargiulo, M.; A. Chiodi; De Miglio, R; Simoes, S.; Long, G.; Pollard, M.; Gouveia, J. P.; Giannakidis, G. (Procedia Engineering, 2017)

Integration of Molecular Dynamics Based Predictions into the Optimization of de novo Protein Designs: Limitations and Benefits - Carvalho, Henrique F.; Arménio Barbosa; Roque, Ana C A; Iranzo, Olga; Ricardo J F Branco (Computation Protein Design, 2017)

Interplay between ethanol and electric vehicles as low carbon mobility options for passengers in the municipality of São Paulo - Costa, E.; Seixas, J.; Costa, G.; Turrentine, T. (JOURNAL OF SUSTAINABLE TRANSPORTATION, 2017)

Introns Protect Eukaryotic Genomes from Transcription-Associated Genetic Instability - Bonnet, Amandine; Grosso, Ana R; Elkaoutari, Abdessamad; Coleno, Emeline; Presle, Adrien; Sridhara, Sreerama C; Janbon, Guilhem; Geli, Vincent; de Almeida, Sérgio F; Palancade, Benoit (Molecular Cell, 2017)
Transcription is a source of genetic instability that can notably result from the formation of genotoxic DNA:RNA hybrids, or R-loops, between the nascent mRNA and its template. Here we report an unexpected function for introns in counteracting R-loop accumulation in eukaryotic genomes. Deletion of endogenous introns increases R-loop formation, while insertion of an intron into an intronless gene suppresses R-loop accumulation and its deleterious impact on transcription and recombination in yeast. Recruitment of the spliceosome onto the mRNA, but not splicing per se, is shown to be critical to attenuate R-loop formation and transcription-associated genetic instability. Genome-wide analyses in a number of distant species differing in their intron content, including human, further revealed that intron-containing genes and the intron-richest genomes are best protected against R-loop accumulation and subsequent genetic instability. Our results thereby provide a possible rationale for the conservation of introns throughout the eukaryotic lineage.

Large core-shell affinity beads for gravity-driven API purification processes: A green strategy by molecular imprinting in supercritical CO2 - Viveiros, R.; Dias, F.M.; Maia, L. B.; Heggie, W.; T. Casimiro (J Ind Eng Chem, 2017)

Lessons from denitrification to the human metabolism of signalling nitric oxide - Maia, L. B.; Moura, J. J. G. (Metalloenzymes in Denitrification: Applications and Environmental Impacts, RSC Metallobiology Series No. 9 (ISBN: 978-1-78262-376-2)., 2017)

Local Sustainable energy systems - the role of Times model - Dias, L.; Simões, S.; Gouveia, J. P.; Seixas, J. (ETSAP Workshop on Sustainability Performance of the Energy Systems, 2017)

Low-temperature spray-coating of high-performing ZnO:Al lms for transparent electronics - S. Marouf; et al (J. Anal. Appl. Pyrolysis, 2017)

Magnetic fishing of recombinant green fluorescent proteins and tagged proteins with designed synthetic ligands - Cláudia S M Fernandes; Pina, Ana Sofia; Batalha, Íris L.; Roque, A. C. A. (Separation Science and Technology, 2017)
Biomimetic ligands have emerged to overcome disadvantages inherent in biological ligands. In particular, the Ugi reaction can generate scaffolds where molecular diversity can be introduced, allowing the synthesis and screening of ligand libraries in a high-throughput manner against a variety of biological targets. Two adsorbents bearing Ugi-based synthetic ligands, coined A4C7 and A7C1, were previously developed for the selective recovery of green fluorescent protein (GFP) and RKRKRK-tagged GFP directly from Escherichia coli crude extracts. This work describes, for the first time, the in situ synthesis of Ugi-based ligands on magnetic beads and their application in the magnetic recovery of cognate proteins.

Mapping Residential Thermal Comfort Gap at very high resolution spatial scale: Implications for Energy Policy Design - Gouveia, J. P.; Palma, P.; Seixas, J.; Simoes, S. (40th International Association of Energy Economics International Conference, Meeting the Energy Demand of Emerging Economies. Implications for Energy and Environmental Markets, 2017)

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. (Royal Society of Chemistry, 2017)

midas workshop (2017)

Modelling the role of natural gas in the Southern Cone of Latin America - Chávez-Rodriguéz, M.; Dias, L.; Simoes, S.; Seixas, J.; Hawkes, A.; Szklo, A.; Lucena, A. (Applied Energy, 2017)

Molybdenum and tungsten-containing enzymes: an overview - Maia, L. B.; Moura, I.; Moura, J. J. G. (Molybdenum and Tungsten Enzymes: Biochemistry, RSC Metallobiology Series No. 5 (ISBN: 978-1-78262-089-1)., 2017)

Molybdenum and tungsten-containing formate dehydrogenases: aiming to inspire a catalyst for carbon dioxide utilization - Maia, L. B.; Moura, I.; Moura, J. J. G. (Inorg Chim Acta, 2017)

NADES systems as cryoprotective agents for cryopreservation process of cells: Characterization of thermophysical and cytotoxicity properties - Ana Rita C. Duarte (TERMSTEM, 2017)

Naphthalene amine support for G-quadruplex isolation - Ferreira, João; Santos, Tiago; Pereira, Patrícia; Corvo, Marta C.; João A. Queiroz; Sousa, Fani; Cruz, Carla (Analyst, 2017)
G-quadruplex (G4) is involved in many biological processes, such as telomere function, gene expression and DNA replication. The selective isolation of G4 using affinity ligands that bind tightly and selectively is a valuable strategy for discovering new G4 binders for the separation of G4 from duplexes or the discrimination of G4 structures. In this work, one affinity chromatographic support was prepared using a naphthalene amine as a G4 binder. The ligand was immobilized on epoxy-activated Sepharose CL-6B using a long spacer arm and was characterized by HR-MAS spectroscopy. The supercoiled (sc) isoform of pVAX1-LacZ and pVAX1-G4 was isolated from a native sample. Also, the recovery and isolation of the plasmid isoforms from Escherichia coli lysate samples were achieved using an ionic gradient with different concentrations of NaCl in 10 mM Tris-HCl (pH 7.4). The retention times of different DNA/single strand sequences that can form G4, such as, c-MYC, c-kit1, c-kit2, tetrameric, telomeric (23AG), thrombin aptamer (TBA) and 58Sγ3 in this support were evaluated. Our experimental results suggest that the support exhibits selectivity for parallel c-MYC and c-kit1 G4s. In vitro transcription was performed using purified sc pVAX1-G4 and pPH600 to induce G4 formation and circular dichroism (CD) analysis confirmed that both transcripts adopt a parallel G4 topology.

Natural deep eutectic systems inspired in animals living in extreme environments: citotoxicity profile - Duarte, Ana Rita (2nd Chem2Nature Workshop, 2017)

New composite of natural hydraulic lime mortar with graphene oxide - P. Faria; Duarte, P; D. Barbosa; Ferreira, I. (Constr Build Mater, 2017)
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.

NMR studies of the interaction between inner membrane-associated and periplasmic cytochromes from Geobacter sulfurreducens - Joana M Dantas; Brausemann, Anton; Einsle, Oliver; Salgueiro, , Carlos A. (FEBS Letters, 2017)
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.
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Keywords: Electron transfer; Geobacter; Multiheme cytochromes; NMR; protein-protein interactions

Novel eddy current probes for pipes: Application in austenitic round-in-square profiles of ITER - Miguel A. Machado; Luis Rosado; Nuno Pedrosa; Alexander Vostner; Miranda, R.M.; Moisés Piedade; Telmo G. Santos (NDT&E International, 2017)
Novel eddy current probes were developed to detect sub-millimetre defects with any orientation on the inner surface of pipes. Five different probes were designed, produced and experimentally validated. These probes include arrays of planar trapezoidal coils in a flexible substrate used alone or together with different winded drive coils. Numerical simulations with Finite Element Method were used to predict the probe response to defects with any orientation. Experimental results in austenitic steel jackets used in ITER revealed that the new probes have an improved reliability compared to conventional toroidal bobbin probes, allowing a higher sensitivity to circumferential defects.

Nutrient sensing modulates malaria parasite virulence - Liliana Mancio-Silva; Slavic, Ksenija; Ruivo, Margarida T Grilo; Ana Rita Grosso; Modrzynska, Katarzyna K; Vera, Iset Medina; Sales-dias, Joana; Gomes, Ana Rita; Macpherson, Cameron Ross; Crozet, Pierre; Adamo, Mattia; Baena-gonzalez, Elena; et al. (Nature, 2017)
The lifestyle of intracellular pathogens, such as malaria parasites, is intimately connected to that of their host, primarily for nutrient supply. Nutrients act not only as primary sources of energy but also as regulators of gene expression, metabolism and growth, through various signalling networks that enable cells to sense and adapt to varying environmental conditions. Canonical nutrient-sensing pathways are presumed to be absent from the causative agent of malaria, Plasmodium, thus raising the question of whether these parasites can sense and cope with fluctuations in host nutrient levels. Here we show that Plasmodium blood-stage parasites actively respond to host dietary calorie alterations through rearrangement of their transcriptome accompanied by substantial adjustment of their multiplication rate. A kinome analysis combined with chemical and genetic approaches identified KIN as a critical regulator that mediates sensing of nutrients and controls a transcriptional response to the host nutritional status. KIN shares homology with SNF1/AMPKα, and yeast complementation studies suggest that it is part of a functionally conserved cellular energy-sensing pathway. Overall, these findings reveal a key parasite nutrient-sensing mechanism that is critical for modulating parasite replication and virulence.

O Vitral e as suas tintas: Grisalha e Amarelo de Prata - Sara Louro (FCT-UNL, 2017)

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

Optoelectronics and Bio Devices on Paper Powered by Solar Cells - A. T. Vicente; et al (Nanostructured Solar Cells, 2017)

Particle Accelerator Focus Automation - J. Lopes; Rocha, J.; L. Redondo; J. Cruz (2017)

Passivation of Interfaces in Thin Film Solar Cells: Understanding the Effects of a Nanostructured Rear Point Contact Layer - P. Salomé; et al (Adv. Materials Interfaces, 2017)

Pintura a Sanguine: produção, caracterização e adesão ao substrato vítreo - Ângela Santos (FCT-UNL, 2017)

Pintura com vidro – diálogos de luz e cor - Teresa Almeida (Pensar o fazer da pintura. 31 teses sobre investigar e criar em Pintura, 2017)

Poster midas workshop (2017)

POSTER_Profruta_29_August-AGRI-SUMMIT 2017 (2017)

Poster_Ref VI.II.S2.1.P26 (2017)

POTENTIAL APPLICATION OF PORTUGUESE PROPOLIS AS ‘ROCHA’ PEAR POSTHARVEST PRESERVATIVE - Food Chemistry Conference 2017 (2017)

Pregnancy Monitoring Using Uterine Electromyography: - Arnaldop Batista; FátimaSerrano; Sara Russo; Cararina Reis; Manuel Ortigueira (in Signal Processing and Monitoring in Labour (SPaM),, 2017)

Production and application of ceramic decal technology on vitreous substrate - Rocha, Ana Margarida; Teresa Almeida; Machado, Graciela (5th Glass Science in Art and Conservation (GLASSAC) International Conference, 2017)

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

Prospetiva Estratégica: Teoria, Métodos e Casos Reais - J. SARAGOÇA; C. A. SILVA; J. FIALHO (Sílabo, 2017)

PROTEÇÃO DE FRUTOS COM PROPOLIS (2017)

PROTECTING FRUITS WITH PROPOLIS (2017)

Protein-Assisted Formation of Molybdenum Heterometallic Clusters: Evidence for the Formation of S2MoS2−M−S2MoS2 Clusters with M = Fe, Co, Ni, Cu, or Cd within the Orange Protein - B.K. Maiti; Maia, L. B.; Pauleta, S. R.; Moura, I.; Moura, J. J. G. (Inorg Chem, 2017)

Relaxation behavior of polyurethane networks with different composition and crosslinking density - M. Zajac; H. Kahl; B. Schade; M. Dionísio; M. Beiner (Polymer, 2017)

Renaissance of protein crystallization and precipitation in biopharmaceuticals purification - Raquel dos Santos; Ana Luísa Carvalho; Roque, Ana C A (Biotechnology Advances, 2017)
The current chromatographic approaches used in protein purification are not keeping pace with the increasing biopharmaceutical market demand. With the upstream improvements, the bottleneck shifted towards the downstream process. New approaches rely in Anything But Chromatography methodologies and revisiting former techniques with a bioprocess perspective. Protein crystallization and precipitation methods are already implemented in the downstream process of diverse therapeutic biological macromolecules, overcoming the current chromatographic bottlenecks. Promising work is being developed in order to implement crystallization and precipitation in the purification pipeline of high value therapeutic molecules. This review focuses in the role of these two methodologies in current industrial purification processes, and highlights their potential implementation in the purification pipeline of high value therapeutic molecules, overcoming chromatographic holdups.
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Keywords: Anything but chromatography; Biopharmaceutical; Crystallization; Downstream process; precipitation; Protein Purification

The Role of Indicators in Decisions of Technology Innovation - Nuno Boavida (KIT Scientific Publishing, 2017)

The role of indicators in decisions of technology innovation - Nuno F.F.G. Boavida (KIT Scientific Publishing, 2017)
There are thousands of indicators produced to understand and govern our societies. Studies about the way indicators are used in technological innovation are significantly rare, despite the centrality of these decisions to promote growth in our technology-intensive civilization. This book presents what is known and what was discovered in a doctoral research, which analysed innovative business leaders, policymakers and public researchers responsible for technological innovations.

Rubredoxins derivatives: Simple sulphur-rich coordination metal sites and its relevance for Biology and Chemistry - B.K. Maiti; Almeida, R. M.; Moura, I.; Moura, J. J. G. (Coord Chem Rev, 2017)

Sanguine Paint: Historical Recipes for Production and Application - Ângela Santos; Vilarigues, Márcia (Proceedings of Society of Glass Technology Annual Conference (SGT 2017) - Corpus Vitrearum / ICOMOS, 2017)

Simultaneous use and self-consistent analyses of l-PIXE and l-EBS for the characterization of corrosion layers grown on ancient coins - J. Cruz; V. Corregidor; L.C. Alves (2017)

Software Development for the Detection and Characterization of Rail Corrugation - Arnaldo Batista; André Pereira (Workshop on Railway track dynamics, 2017)

Solution structure and dynamics of the outer membrane cytochrome OmcF from Geobacter sulfurreducens - Joana M Dantas; Silva, , Marta A.; Pantoja-Uceda, David; Turner, David L.; Bruix, Marta; Salgueiro, , Carlos A. (Biochimica et Biophysica Acta (BBA) - Bioenergetics, 2017)
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.
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Keywords: KeywordsGeobacter sulfurreducens; NMR; outer membrane cytochrome; redox protein; solution structure

Spectroscopic definition of the CuZ° intermediate in turnover of nitrous oxide reductase and molecular insight into the catalytic mechanism - Johnston, E. M.; Carreira, C.; Dell'Acqua, S.; Dey, S.G.; Pauleta, S. R.; Moura, I.; Solomon, E. I. (J Am Chem Soc, 2017)

Stabilizing Unstable Amorphous naproxen through Inclusion in Mesoporous Silica Hosts - T. Cordeiro; C. Castiñeira; D. Mendes; Danède, F.; J. Sotomayor; I. M. Fonseca; M. Gomes da Silva; A. Paiva; S. F. Barreiros; M. M. Cardoso; M. T. Viciosa; N. T. Correia; et al. (Molecular Pharmaceutics, 2017)
DOI: 10.1021/acs.molpharmaceut.7b00386

A statistics modeling approach for the optimization of thin film photovoltaic devices - A. T. Vicente; et al (Solar Energy, 2017)

Structure, function and mechanisms of respiratory nitrate reductases - Gonzalez, P. J.; Rivas, M. G.; Moura, J. J. G. (Metalloenzymes in Denitrification: Applications and Environmental Impacts, RSC Metallobiology Series No. 9 (ISBN: 978-1-78262-376-2)., 2017)

Swiss stained-glass panels - an analytical study - Machado, A.; S. Wolf; Coutinho, M. L.; L.C. Alves; I. Katona-Serneels; V. Serneels; S.Trümpler; Vilarigues, M. (Microscopy and Microanalysis, 2017)

Synthesis of Cadmium Selenide Quantum Dots, Using 2, 2‐Bipyridine as a Capping and Phase Transfer Agent - Sousa, D. M.; J. C. Lima; Ferreira, I. (ChemistrySelect, 2017)
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.

Tailoring the morphology of hydroxyapatite particles using a simple solvothermal route - Dardouri, Maïssa; Borges, João Paulo; Omrani, Amel (Ceramics International, 2017)
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.

Template-free synthesis of sub-micrometric cobalt fibers with controlled shape and structure. Characterization and magnetic properties - Lakhdar, Allagui; Borges, João Paulo; Amara, Abdesslam; Omrani, Amel (Journal of Magnetism and Magnetic Materials, 2017)
Sub-micrometric Co fibers were prepared via a modified polyol process at 90 °C under an external magnetic field of about 550 Oe, using ethelyne glycol as solvent and hydrazine as reducing agent. The structure, the size and the morphology of the as-elaborated products were highly controlled through properly monitoring the synthesis parameters (amount of NaOH added, the amount of the reducing agent, precursor’ concentration and precursors mixing protocol). The XRD characterization confirmed the formation of pure cobalt powders with either hexagonal compact (hcp) or face-centered-cubic (fcc) structure depending on the concentration of the metal precursor and sodium hydroxide. The scanning electron microscopy observations of the powders shows sub-micrometric fibers with about 0.4–0.6 µm in diameter and a length that could reach 15 µm. Fibers prepared at high reducing ratio were constituted of flower-like spheres that coalesce in the direction of the applied magnetic field. For their high contact surface, these fibers offer new opportunities for catalysis applications. The hysteresis loop measurements show an enhancement of the Hc of the as-obtained fibers compared to their bulk counterparts and permit to confirm the relationship between the structure and the magnetic properties of the materials.

Therapeutic activity of superoxide dismutase-containing enzymosomes on rat liver ischaemia-reperfusion injury followed by magnetic resonance microscopy - Marcelino, Paulo; Marinho, H. Susana; Maria Celeste Campos; Ana Rita Neves; Carla Real; Filipa S Fontes; Alexandra Carvalho; Feio, Gabriel; M Bárbara F Martins; M. Luísa Corvo (European Journal of Pharmaceutical Sciences, 2017)
Liver ischaemia-reperfusion injury (IRI) may occur during hepatic surgery and is unavoidable in liver transplantation. Superoxide dismutase enzymosomes (SOD-enzymosomes), liposomes where SOD is at the liposomal surface expressing enzymatic activity in intact form without the need of liposomal disruption, were developed with the aim of having a better insight into its antioxidant therapeutic outcome in IRI. We also aimed at validating magnetic resonance microscopy (MRM) at 7 T as a tool to follow IRI. SOD-enzymosomes were characterized and tested in a rat ischaemia-reperfusion model and the therapeutic outcome was compared with conventional long circulating SOD liposomes and free SOD using biochemical liver injury biomarkers, histology and MRM. MRM results correlated with those obtained using classical biochemical biomarkers of liver injury and liver histology. Moreover, MRM images suggested that the therapeutic efficacy of both SOD liposomal formulations used was related to prevention of peripheral biliary ductular damage and disrupted vascular architecture. Therefore, MRM at 7 T is a useful technique to follow IRI. SOD-enzymosomes were more effective than conventional liposomes in reducing liver ischaemia-reperfusion injury and this may be due to a short therapeutic window.

Thermal Comfort in the Portuguese Households: Mapping Energy Needs at Civil Parish Level - Palma, P.; Gouveia, J. P.; Seixas, J.; Simões, S. (ME3 Conference - Meeting on Energy and Environmental Economics, 2017)

Towards the development of multifunctional hybrid fibrillary gels: production and optimization by colloidal electrospinning - Faria, Jaime; Coro Echeverria; Borges, João Paulo; Godinho, Maria Helena; Paula I P Soares (RSC Advances, 2017)
The incorporation of thermosensitive microgels that can act as active sites into polymeric fibers through colloidal electrospinning originates multifunctional, highly porous, and biocompatible membranes suitable for biomedical applications. The use of polyvinylpyrrolidone (PVP), a biocompatible, water-soluble polymer as a fiber template, not only allows the use of a simple set-up to produce composite membranes, but also avoids the use of organic solvents to prepare such systems. Further crosslinking with ultraviolet (UV) radiation avoids membrane dissolution in physiological conditions. Highly porous, UV crosslinked composite membranes with monodisperse mean fiber diameters around 530 nm were successfully produced. These composite membranes showed a Young Modulus of 22 MPa, and an ultimate tensile strength of 3 MPa, accessed in the mechanical tests. Furthermore, the same composite membranes were able to swell about 30 times their weight after 1 hour in aqueous medium. In this work composite multifunctional membranes were designed and extensively studied. PVP, a biocompatible water-soluble polymer, was used as a fiber template to incorporate thermoresponsive poly-(N-isopropylacrylamide) (PNIPAAm)-based microgels into the composite membrane using colloidal electrospinning. The design of multifunctional membranes can be further tailored to several biomedical applications such as temperature-controlled drug delivery systems.

Transcription Dynamics Prevent RNA-Mediated Genomic Instability through SRPK2-Dependent DDX23 Phohsphorylation - Sridhara, Sreerama Chaitanya; Carvalho, Silvia; Ana Rita Grosso; Marcela, Lina; Carmo-fonseca, Maria; de Almeida, Sergio Fernandes (Cell Reports, 2017)
Genomic instability is frequently caused by nucleic acid structures termed R-loops that are formed during transcription. Despite their harmful potential, mechanisms that sense, signal, and suppress these structures remain elusive. Here, we report that oscillations in transcription dynamics are a major sensor of R-loops. We show that pausing of RNA polymerase II (RNA Pol II) initiates a signaling cascade whereby the serine/arginine protein kinase 2 (SRPK2) phosphorylates the DDX23 helicase, culminating in the suppression of R-loops. We show that in the absence of either SRPK2 or DDX23, accumulation of R-loops leads to massive genomic instability revealed by high levels of DNA double-strand breaks (DSBs). Importantly, we found DDX23 mutations in several cancers and detected homozygous deletions of the entire DDX23 locus in 10 (17%) adenoid cystic carcinoma (ACC) samples. Our results unravel molecular details of a link between transcription dynamics and RNA-mediated genomic instability that may play important roles in cancer development.

Transformações no mercado de trabalho e robótica - António Brandão Moniz (Cadernos de Economia, 2017)

TSDC and impedance spectroscopy measurements on hydroxyapatite, β-tricalcium phosphate and hydroxyapatite/β-tricalcium phosphate biphasic bioceramics - Prezas, Pedro; Melo, Bruno; Costa, Luís; Valente, Manuel; Lança, Maria Carmo; Ventura, José; Pinto, Luís; Prezas, Manuel (Applied Surface Science, 2017)
Bone grafting and surgical interventions related with orthopaedic disorders consist in a big business, generating large revenues worldwide every year. There is a need to replace the biomaterials that currently still dominate this market, i.e., autografts and allografts, due to their disadvantages, such as limited availability, need for additional surgeries and diseases transmission possibilities. The most promising replacement materials are biomaterials with bioactive properties, such as the calcium phosphate-based bioceramics group. The bioactivity of these materials, i.e., the rate at which they promote the growth and directly bond with the new host biological bone, can be enhanced through their electrical polarization. In the present work, the electrical polarization features of pure hydroxyapatite (Hap), pure β-tricalcium phosphate (β-TCP) and biphasic hydroxyapatite/β-tricalcium phosphate composites (HTCP) were analyzed by measuring thermally stimulated depolarization currents (TSDC). The samples were thermoelectrically polarized at 500 °C under a DC electric field with a magnitude of 5 kV/cm. The biphasic samples were also polarized under electric fields with different magnitudes: 2, 3, 4 and 5 kV/cm. Additionally, the depolarization processes detected in the TSDC measurements were correlated with dielectric relaxation processes observed in impedance spectroscopy (IS) measurements. The results indicate that the β-TCP crystalline phase has a considerable higher ability to store electrical charge compared with the Hap phase. This indicates that it has a suitable composition and structure for ionic conduction and establishment of a large electric charge density, providing great potential for orthopaedic applications.

Tunable Gas Sensing Gels by Cooperative Assembly - Hussain, Abid; Semeano, Ana T. S.; Susana I C J Palma; Ana S Pina; Almeida, José; Medrado, Bárbara F.; Pádua, Ana C. C. S.; Carvalho, Ana L.; Madalena Dionísio; Li, Rosamaria W. C.; Gamboa, Hugo; Ulijn, Rein V.; et al. (Advanced Functional Materials, 2017)
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.
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Keywords: gas sensing; gelatin; ionic liquids; liquid crystals; self-assembly

Tunable Gas Sensing Gels by Cooperative Assembly - Hussain, A.; A. T. S. Semeano; S. I. C. J. Palma; Pina, A. S.; Almeida, J.; B. F. Medrado; A. C. C. S. Pádua; Carvalho, A. L.; M. Dionísio; R. W. C. Li; Gamboa, H.; R. V. Ulijn; et al. (Advanced Functional Materials, 2017)
DOI: 10.1002/adfm.201700803

Two negative minima of the first normal stress difference in a cellulose-based cholesteric liquid crystal: Helix uncoiling - Coro Echeverria; Almeida, Pedro L; Oscar F. Aguilar Gutierrez; Rey, Alejandro D.; Godinho, Maria Helena (Journal of Polymer Science Part B: Polymer Physics, 2017)
The shear rate dependence of material functions such as shear viscosity (η) and the first normal stress difference (N1) were given and interpreted earlier by Kiss and Porter. Their widely accepted work revealed the possibility of having a negative minimum of N1 for polymeric liquid crystals. In this work, we disclose for the first time the evidence of two negative N1 minima on a sheared cellulosic lyotropic system. The lower shear rate minimum is ascribed to the uncoiling of the cholesteric helix, as theoretically predicted earlier. Our findings contribute also to the understanding of the other minimum already reported in the literature and attributed to the nematic director tumbling mode. Moreover, the elastic change that the LC-HPC sample undergoes during the helix unwinding of the cholesteric structure is also by means of oscillatory measurements. This study is a contribution for the understanding of the structure-properties relationship linked with the complex rheological behavior of chiral nematic cellulose-based systems and may help to improve their further processing.

Understanding the response of Desulfovibrio desulfuricans ATCC 27774 to different electron acceptors - biosynthetic costs modulate substrate selection - Sousa, J.R.; Silveira, C. M.; Fontes, P.; Roma-Rodrigues, C.; Fernandes, A. R.; Van Driessche, G.; Devreese, B.; Moura, I.; Moura, J. J. G.; Almeida, M. G. (Biochim Biophys Acta, 2017)

UTILIZAÇÃO DE COMPOSTOS NATURAIS BIOATIVOS - CNPPF (2017)

UTILIZAÇÃO DE EXTRACTOS DE PRÓPOLIS NA CONSERVAÇÃO PÓS-COLHEITA DE - IX-SIPC (2017)

Waterborne polyurethane/Fe3O4-synthetic talc composites: synthesis, characterization, and magnetic properties - dos Santos, Leonardo M; Ligabue, Rosane; Dumas, Angela; Le Roux, Christophe; Micoud, Pierre; Meunier, Jean-François; Martin, François; Corvo, Marta; Almeida, Pedro; Einloft, Sandra (Polymer Bulletin, 2017)
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.
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Adding value to gasification and co-pyrolysis chars as removal agents of Cr3+ - D. Godinho; D. Dias; M. Bernardo; N. Lapa; I. Fonseca; Lopes, H.; Pinto, F (Journal of Hazardous Materials, 2017)
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.
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Keywords: Chars; Co-pyrolysis; Cr removal; Gasification; Rice wastes

Carbon dioxide capture by aqueous ionic liquid solutions - Dupont, Jairton; Simon, Nathalia M; Zanatta, Marcileia; dos Santos, Francisco P; Corvo, Marta C.; Cabrita, Eurico J. (ChemSusChem, 2017)
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CHEMISTRY - AN EXPERIMENTAL SCIENCE - Gomes da Silva, M.; Pereira, M. M. A.; Franco, R.; Dionisio, M.; Ferreira, LM; Branco, P.; Costa, C.; Lourenco, A.; Pereira, A. S.; Mata, P.; J. Sotomayor; Lima, C.; et al. (9TH INTERNATIONAL CONFERENCE ON EDUCATION AND NEW LEARNING TECHNOLOGIES (EDULEARN17), 2017)
In the last two decades, it has been observed an increasing low enrolment of students in chemistry teaching courses in secondary schools. On the one hand, because of the negative connotation of chemistry, associated with the potentially toxic and pollutant chemical industry, and on the other hand, that the teaching of this subject is exclusively carried out only in a theoretical classroom environment with almost non-existent practical/experimental component, despite chemistry is an experimental science in its essence. This state of affairs has been reflected in chemistry degrees offered by Portuguese universities throughout the country, which in the application process for each academic year, ended up by never completely fulfilling the number of offered nunerus clausus. Considering that the pedagogical mission of the Faculty of Science and Technology of Universidade NOVA de Lisboa (FCT-NOVA), in particular its Department of Chemistry (DQ), aims to contribute to the human, scientific and technical development of students, a project has been settled in the last nine years in order to offer to high school students a unique opportunity to arouse in them the interest in Science in general and Chemistry in particular, to stimulate impart on them the joy of curiosity, while at the same time conferring the necessary skills for their future activity as students of higher education or in the labour market. It is also through the close contact with students that method, discipline, and intellectual honesty are transmitted and cultivated. The aim of this Project was thus to promote the study and taste interest for Chemistry, through experimental activities, fitting the Portuguese High School Education curricula, offered to students enrolled in Chemistry subjects attending the 10th, 11th and 12th grades (the latter, compulsory high school degree to apply to University Throughout 2016/17 academic year, DQ-FCT-NOVA will receive, from October to May, 1888 students visits from eleven High Schools distributed among Physical Chemistry for 10th/11th grade and of the 12th grade attending the Chemistry subject. The former are offer one single laboratory activity while the latter participate up to 10 different experimental activities. During 70 practical sessions of 2.5 hours each, with an average attendance of 27 students, the number of higher education school staff involved are 22. Each high school class is accompanied by 1 teacher, who's also proactively contributing to the design of the practical session. The session is carried out in groups of 2/3 students, and the laboratories have a capacity of 24/48 according onto classes sizes. A quality questionnaire is filled by the students in order to monitor the action. In 2015/16, 63 % of the students answered the questionnaire in which more than 90% students were very satisfied with the action. This project has already been implemented for 9 years reflecting a growing collaboration between FCT-NOVA and in High Schools in the vicinity (Setubal District). Above all, this Project allowed most of these schools to continue to motivate students to enrol in 12th grade Chemistry subject. Actually, in the first year of the initiative, many of these schools did not have enough students to open chemistry classes for the 12th grade. After the first initiative, almost all high schools have been able to maintain open 12th grade chemistry classes. On the other hand, FCT-NOVA, namely, the Applied Chemistry course, has been able to fill 100% of the numerus clausus available in the first phase of the application period, which is not the case for other higher education schools courses in Portugal for the same domain - Chemistry.
9th International Conference on Education and New Learning Technologies (EDULEARN), Barcelona, SPAIN, JUL 03-05, 2017

Development of a molecularly imprinted polymer for a pharmaceutical impurity in supercritical CO2: Rational design using computational approach - Viveiros, R.; K. Karim; S.A. Piletsky; Heggie, W.; T. Casimiro (Journal of Cleaner Production, 2017)
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Keywords: Affinity polymers; Computational design; Green chemistry; Molecular imprinting; Molecular modelling; Supercritical carbon dioxide

Developments in the Reactivity of 2-Methylimidazolium Salts - Peixoto, Daniela; Figueiredo, Margarida; Gawande, Manoj B; Corvo, Marta C.; Vanhoenacker, Gerd; Afonso, Carlos A. M.; Ferreira, Luisa M.; Branco, Paula S. (The Journal of organic chemistry, 2017)
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Electron transfer through arsenite oxidase: Insights into Rieske interaction with cytochrome c - Cameron Watson; Dimitri Niks; Russ Hille; Marta Vieira; Barbara Schoepp-Cothenet; Alexandra T. Marques; Romão, Maria João; Santos-Silva, Teresa; Joanne M. Santini (Biochimica et Biophysica Acta (BBA) - Bioenergetics, 2017)
Arsenic is a widely distributed environmental toxin whose presence in drinking water poses a threat to >140 million people worldwide. The respiratory enzyme arsenite oxidase from various bacteria catalyses the oxidation of arsenite to arsenate and is being developed as a biosensor for arsenite. The arsenite oxidase from Rhizobium sp. str. NT-26 (a member of the Alphaproteobacteria) is a heterotetramer consisting of a large catalytic subunit (AioA), which contains a molybdenum centre and a 3Fe-4S cluster, and a small subunit (AioB) containing a Rieske 2Fe-2S cluster. Stopped-flow spectroscopy and isothermal titration calorimetry (ITC) have been used to better understand electron transfer through the redox-active centres of the enzyme, which is essential for biosensor development. Results show that oxidation of arsenite at the active site is extremely fast with a rate of >4000s−1 and reduction of the electron acceptor is rate-limiting. An AioB-F108A mutation results in increased activity with the artificial electron acceptor DCPIP and decreased activity with cytochrome c, which in the latter as demonstrated by ITC is not due to an effect on the protein-protein interaction but instead to an effect on electron transfer. These results provide further support that the AioB F108 is important in electron transfer between the Rieske subunit and cytochrome c and its absence in the arsenite oxidases from the Betaproteobacteria may explain the inability of these enzymes to use this electron acceptor.
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Keywords: Arsenite oxidase; Cytochrome; Isothermal titration calorimetry; Molybdenum enzyme; Rate-limiting step; Rieske protein; Stopped-flow spectroscopy

Evaluation of hydrothermal carbonization as a preliminary step for the production of functional materials from biogas digestate - Catalina Rodriguez Correa; Bernardo, Maria; Rui P.P.L. Ribeiro; Isabel A.A.C. Esteves; Andrea Kruse (Journal of Analytical and Applied Pyrolysis, 2017)
Digestate from a biogas plant that uses solely biomass for biogas production was used as precursor material for the production of activated carbon as an alternative to increase its added value. The digestate was converted into hydrochar by hydrothermal carbonization varying the temperature (190–250°C), residence time (3 and 6h), and pH (5 and 7). Temperature followed by residence time had the strongest influence on the chemical composition and thermal stability of the hydrochars. A significant effect of the pH was not observed. The hydrochars were chemically activated to enhance the surface area and use them as activated carbon. As a consequence, the surface areas increased from 8 to 14m2/g (hydrochars) to 930–1351m2/g (activated carbons). Furthermore, large micropore volumes were measured (0.35–0.50cm3/g). The activated carbons were studied as adsorbents in gas phase applications, showing that the product of digestate is a very effective adsorbent for carbon dioxide (CO2). Especially the activated carbon obtained from the hydrochar produced at 250°C for 6h, which adsorbed 8.80mol CO2/kg at 30°C and 14.8bar. Additionally, the activated carbons showed a stronger affinity towards CO2 compared to methane (CH4), which makes this material suitable for the upgrading of raw biogas to biomethane.
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Keywords: Biogas; Carbon adsorbent materials; Digestate; Gas separation by adsorption; Hydrothermal carbonization

Gene silencing using multifunctionalized gold nanoparticles for cancer therapy - Fernandes, Alexandra R; Baptista, Pedro V (Methods in Molecular Biology, 2017)
Multifunctionalized gold nanobeacons (Au-nanobeacon) combine, in a single and unique platform, targeting, detection and silencing providing an effective impact in clinics boosting cancer theranostics. Here, we describe a nano-integrated platform based on Au-nanobeacons able to detect and inhibit gene expression specifically in cancer cells. The surfaces of gold nanoparticles (AuNPs) are functionalized with targeting peptides to enhance tumor cell recognition and uptake, and with fluorescently labeled antisense DNA hairpin oligonucleotides to detect AuNPs. These oligonucleotides, upon recognition and hybridization to the target, open their structure resulting in separating apart the dye and the quencher allowing the fluorophore to emit light and to monitor the intracellular interactions of AuNPs with the target and the specific silencing of gene expression. This strategy allows inhibiting KRAS gene expression in colorectal carcinoma cell lines with no relevant toxicity for healthy fibroblasts. Importantly, this nano-integrated platform can be easily adapted to hybridize with any specific target thus providing real benefits for the diagnosis and treatment of cancer.
sem pdf conforme despacho.
Keywords: Au-nanobeacon; Colorectal carcinoma cell lines; Gene silencing; Gold nanoparticles; KRAS; Peptides; Targeted delivery

Gold nanobeacons for tracking gene silencing in Zebrafish - Cordeiro, Milton; Lara Carvalho; Joana Silva; Leonor Saúde; Alexandra R. Fernandes; Pedro V. Baptista. (Nanomaterials, 2017)
The use of gold nanoparticles for effective gene silencing has demonstrated its potential as a tool for gene expression experiments and for the treatment of several diseases. Here, we used a gold nanobeacon designed to specifically silence the enhanced green fluorescence protein (EGFP) mRNA in embryos of a fli-EGFP transgenic zebrafish line, while simultaneously allowing the tracking and localization of the silencing events via the beacon’s emission. Fluorescence imaging measurements demonstrated a decrease of the EGFP emission with a concomitant increase in the fluorescence of the Au-nanobeacon. Furthermore, microinjection of the Au-nanobeacon led to a negligible difference in mortality and malformations in comparison to the free oligonucleotide, indicating that this system is a biocompatible platform for the administration of gene silencing moieties. Together, these data illustrate the potential of Au-nanobeacons as tools for in vivo zebrafish gene modulation with low toxicity which may be used towards any gene of interest.
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Gold Nanoparticles for BCR-ABL1 Gene Silencing: Improving Tyrosine Kinase Inhibitor Efficacy in Chronic Myeloid Leukemia - Raquel Vinhas; Alexandra Fernandes; Pedro V. Baptista (Molecular Therapy Nucleic Acids, 2017)
Introduction of tyrosine kinase inhibitors for chronic myeloid leukemia treatment is associated with a 63% probability of maintaining a complete cytogenetic response, meaning that over 30% patients require an alternative methodology to overcome resistance, tolerance, or side effects. Considering the potential of nanotechnology in cancer treatment and the benefits of a combined therapy with imatinib, a nanoconjugate was designed to achieve BCR-ABL1 gene silencing. Gold nanoparticles were functionalized with a single-stranded DNA oligonucleotide that selectively targets the e14a2 BCR-ABL1 transcript expressed by K562 cells. This gold (Au)-nanoconjugate showed great efficacy in gene silencing that induced a significant increase in cell death. Variation of BCL-2 and BAX protein expression, an increase of caspase-3 activity, and apoptotic bodies in cells treated with the nanoconjugate demonstrate its aptitude for inducing apoptosis on K562 BCR-ABL1-expressing cells. Moreover, the combination of the silencing Au-nanoconjugate with imatinib prompted a decrease of imatinib IC50. This Au-nanoconjugate was also capable of inducing the loss of viability of imatinib-resistant K562 cells. This strategy shows that combination of Au-nanoconjugate and imatinib make K562 cells more vulnerable to chemotherapy and that the Au-nanoconjugate alone may overcome imatinib-resistance mechanisms, thus providing an effective treatment for chronic myeloid leukemia patients who exhibit drug tolerance.
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Green approach on the development of lock-and-key polymers for API purification - Raquel Viveiros; Maria Inês Lopes; William Heggie; Casimiro, Teresa (Chemical Engineering Journal, 2017)
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Keywords: Affinity purification; Genotoxin removal; Green chemistry; Molecular imprinted polymer; Supercritical carbon dioxide

Green strategy to produce large core–shell affinity beads for gravity-driven API purification processes - Raquel Viveiros; Francisco M. Dias; Maia, Luisa B.; William Heggie; Casimiro, Teresa (Journal of Industrial and Engineering Chemistry, 2017)
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Keywords: 3-(Trimethoxysilyl) propyl methacrylate; Genotoxin removal; Plasma technology functionalization; Supercritical carbon dioxide; Surface imprinting technique

Improved fluid mixing and power density in reverse electrodialysis stacks with chevron-profiled membranes - Sylwin Pawlowski; Timon Rijnaarts; Michel Saakes; Kitty Nijmeijer; João G. Crespo; Velizarov, Svetlozar (Journal of Membrane Science, 2017)
Spacer-less RED stacks using membranes with integrated spacer profiles have been investigated during the last years to eliminate the spacer shadow effect. The presence of spacers partially blocks the membrane surface and creates a tortuous and thus longer path for ions in the channel, meaning higher ohmic resistance. Consequently, power outputs are reduced. Profiled membranes may solve this problem as they provide flow channels for the feed streams, while the relief formed on their surfaces keeps the membranes separated. Although the geometry and arrangement of so far used profiles led to lower ohmic resistance, it did not grant an efficient fluid mixing. Recently, so-called chevron profiles, with enhanced mixing, were proposed based on computational fluid dynamics (CFD) simulations. In the present study, the performance of such chevron-profiled membranes, prepared by thermal pressing, was experimentally validated in a reverse electrodialysis (RED) stack. According to the obtained experimental values of non-ohmic resistance and total pressure drop across the RED stack, the chevron-profiled membranes assure efficient fluid mixing at comparatively low hydraulic losses. The net power density obtained with chevron-profiled membranes was the highest obtained for the present stack design. It outperformed the alternative RED stack configurations investigated in this study, such as channels with optimized spacers and channels formed by pillar-profiled membranes. To allow for an even more straightforward and efficient RED stack assembling with chevron-profiled membranes, recommendations for a further simplified design, consisting of diagonal ridges that are assembled perpendicularly, are provided.
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Keywords: Chevron profiles; Fluid dynamics; Net power density; Profiled membranes; Reverse electrodialysis

Infrared light-induced protein crystallization. Structuring of protein interfacial water and periodic self-assembly - Kowacz, Magdalena; Mateusz Marchel; Lina Juknaité; José M.S.S. Esperança; Romão, Maria João; Ana Luísa Carvalho; Luís Paulo N. Rebelo (Journal of Crystal Growth, 2017)
Abstract We show that a physical trigger, a non-ionizing infrared (IR) radiation at wavelengths strongly absorbed by liquid water, can be used to induce and kinetically control protein (periodic) self-assembly in solution. This phenomenon is explained by considering the effect of İR\} light on the structuring of protein interfacial water. Our results indicate that the İR\} radiation can promote enhanced mutual correlations of water molecules in the protein hydration shell. We report on the radiation-induced increase in both the strength and cooperativeness of H-bonds. The presence of a structured dipolar hydration layer can lead to attractive interactions between like-charged biomacromolecules in solution (and crystal nucleation events). Furthermore, our study suggests that enveloping the protein within a layer of structured solvent (an effect enhanced by İR\} light) can prevent the protein non-specific aggregation favoring periodic self-assembly. Recognizing the ability to affect protein-water interactions by means of İR\} radiation may have important implications for biological and bio-inspired systems.
SI: CRYS_ECCG5
Keywords: A4. Crystal growth from solution

Interaction studies between periplasmic cytochromes provide insights into extracellular electron transfer pathways of Geobacter sulfurreducens - Fernandes, Ana P.; Nunes, Tiago C.; Paquete, Catarina M.; Salgueiro, , Carlos A. (Biochemical Journal, 2017)
Accepted Manuscript online January 16, 2017.Geobacter bacteria usually prevail among other microorganisms in soils and sediments where Fe(III) reduction has a central role. This reduction is achieved by extracellular electron transfer (EET), where the electrons are exported from the interior of the cell to the surrounding environment. Periplasmic cytochromes play an important role in establishing an interface between inner and outer membrane electron transfer components. In addition, periplasmic cytochromes, in particular nanowire cytochromes that contain at least 12 haem groups, have been proposed to play a role in electron storage in conditions of an environmental lack of electron acceptors. Up to date, no redox partners have been identified in Geobacter sulfurreducens, and concomitantly, the EET and electron storage mechanisms remain unclear. In this work, NMR chemical shift perturbation measurements were used to probe for an interaction between the most abundant periplasmic cytochrome PpcA and the dodecahaem cytochrome GSU1996, one of the proposed nanowire cytochromes in G. sulfurreducens. The perturbations on the haem methyl signals of GSU1996 and PpcA showed that the proteins form a transient redox complex in an interface that involves haem groups from two different domains located at the C-terminal of GSU1996. Overall, the present study provides for the first time a clear evidence for an interaction between periplasmic cytochromes that might be relevant for the EET and electron storage pathways in G. sulfurreducens.1D, one-dimensional; CbcL, c- and b-type cytochrome for low potential; EET, extracellular electron transfer; HP, His-patch; ImcH, inner membrane c-type cytochrome; MacA, metal-reduction-associated cytochrome; NaPi, sodium phosphate; NBAF, acetate-fumarate medium; NMR, nuclear magnetic resonance; PpcA, periplasmic c-type cytochrome; SDS–PAGE, sodium dodecyl sulphate–polyacrylamide gel electrophoresis; STC, small tetrahaem cytochrome.
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Molecular interactions between Geobacter sulfurreducens triheme cytochromes and the electron acceptor Fe(iii) citrate studied by NMR - Ferreira, Marisa R.; Joana M Dantas; Salgueiro, , Carlos A. (Dalton Trans., 2017)
Proteomic and genetic studies have identified a family of five triheme cytochromes (PpcA-E) that are essential in the iron respiratory pathways of Geobacter sulfurreducens. These include the reduction of Fe(iii) soluble chelated forms or Fe(iii) oxides{,} which can be used as terminal acceptors by G. sulfurreducens. The relevance of these cytochromes in the respiratory pathways of soluble or insoluble forms of iron is quite distinct. In fact{,} while PpcD had a higher abundance in the Fe(iii) oxides supplanted G. sulfurreducens cultures{,} PpcA{,} PpcB and PpcE were important in Fe(iii) citrate supplanted cultures. Based on these observations we probed the molecular interactions between these cytochromes and Fe(iii) citrate by NMR spectroscopy. NMR spectra were recorded for natural abundance and 15N-enriched PpcA{,} PpcB or PpcE samples at increasing amounts of Fe(iii) citrate. The addition of this molecule caused pronounced perturbations on the line width of the protein{'}s NMR signals{,} which were used to map the interaction region between each cytochrome and the Fe(iii) citrate molecule. The perturbations on the NMR signals corresponding to the backbone NH and heme methyl substituents showed that complex interfaces consist of a well-defined patch{,} which surrounds the more solvent-exposed heme IV methyl groups in each cytochrome. Overall{,} this study provides for the first time a clear illustration of the formation of an electron transfer complex between Fe(iii) citrate and G. sulfurreducens triheme cytochromes{,} shown to be crucial in this respiratory pathway.
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Multifunctional gold-nanoparticles: A nanovectorization tool for the targeted delivery of novel chemotherapeutic agents - Alexandra R. Fernandes; João Jesus; Pedro Martins; Sara Figueiredo; Daniela Rosa; Lu{\'ısa Martins; Maria Lu{\'ısa Corvo; Manuela C. Carvalheiro; Costa, Pedro M.; Pedro V. Baptista (Journal Control Release, 2017)
Due to their small size and unique properties, multifunctional nanoparticles arise as versatile delivery systems easily grafted with a vast array of functional moieties, such as anticancer cytotoxic chemotherapeutics and targeting agents. Here, we formulated a multifunctional gold-nanoparticle (AuNP) system composed of a monoclonal antibody against epidermal growth factor receptor (EGFR) (anti-EGFR D-11) for active targeting and a Co(II) coordination compound [CoCl(H2O)(phendione)2][BF4] (phendione =1.10-phenanthroline-5.6-dione) (TS265) with proven antiproliferative activity towards cancer cells (designated as TargetNanoTS265). The efficacy of this nanoformulation, and the non-targeted counterpart (NanoTS265), were evaluated in vitro using cancer cell models and in vivo using mice xenografts. Compared to the free compound, both nanoformulations (TargetNanoTS265 and NanoTS265) efficiently delivered the cytotoxic cargo in a controlled selective manner due to the active targeting, boosting tumor cytotoxicity. Treatment of HCT116-derived xenographs tumors with TargetNanoTS265 led to 93% tumor reduction. This simple conceptual nanoformulation demonstrates the potential of nanovectorization of chemotherapeutics via simple assembly onto AuNPs of BSA/HAS-drug conjugates that may easily be expanded to suit other cargo of novel compounds that require optimized controlled delivery to cancer target.
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New composite of natural hydraulic lime mortar with graphene oxide - Faria, Paulina; Paulo Duarte; Davide Barbosa; Ferreira, Isabel (Construction and Building Materials, 2017)
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.
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Keywords: Graphene oxide; Mechanical property; Microstructure; Mortar; Natural hydraulic lime; Physical property

Optimization of Cuprous Oxides Thin Films to be used as Thermoelectric Touch Detectors - Figueira, Joana; Loureiro, Joana; Marques, José; Bianchi, Catarina; Paulo Duarte; Ruoho, Mikko; Tittonen, Ilkka; Ferreira, Isabel (ACS Applied Materials & Interfaces, 2017)
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–1 and conductivity up to 2.9 (Ω·m)−1. A simple detector using Cu2O have been fabricated and tested with fast finger touch events.
PMID: 28111939

Photochemical insights of TiO2 decorated mesoporous SBA-15 materials and their influence on the photodegradation of organic contaminants - D.S. Conceição; C.A.L. Graça; D.P. Ferreira; A.M. Ferraria; I. M. Fonseca; A.M. Botelho do Rego; A.C.S.C. Teixeira; Ferreira, L. F. Vieira (Microporous and Mesoporous Materials, 2017)
Mesoporous silica, SBA-15, decorated with different amounts of TiO2 (anatase) were prepared by a sol-gel method followed by hydrothermal treatment and calcination, in the presence of a soft template, copolymer Pluronic 123. Tetraethyl orthosilicate (TEOS) was used as the SiO2 precursor and commercially available TiO2 anatase nanoparticles as the supported photocatalyst. The materials were characterized by transmission electron microscopy (TEM), energy dispersive X-ray analysis (EDS), N2 adsorption-desorption isotherms, raman spectroscopy, ground state diffuse reflectance (GSDR), laser induced luminescence (LIL) and X-ray photoelectron spectroscopy (XPS). The zeta potentials of the pure SBA-15, TiO2/SBA-15 substrate and the commercial anatase sample were monitored through a complete range of pH values. All the nanomaterials developed in this work were studied in terms of their photoactivity in the UV range and in the visible range, separately. In the first case, hydroxyl radicals (OH) were confirmed to be the key active oxidizers in the photodegradation of the pesticide amicarbazone in aqueous medium. On the other hand, in the visible range, and following a dye sensitization process via a fluorescent rhodamine-like dye, two different mechanisms could be identified for the formation of the superoxide radical anion, O2−.
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Keywords: Fluorescent dye; Mesoporous silica nanoparticles; Photocatalysis; Photochemistry; Titanium dioxide

Porous carbon: A versatile material for catalysis - Matos, Inês; Bernardo, Maria; Fonseca, Isabel (Catalysis Today, 2017)
Heterogeneous catalysis is an exciting field in constant development. New and improved catalysts that can both be effective and economical are always on demand. Activated carbons may well play an important role in this field, as they are a cheaper alternative while more environmentally benign. In this paper, a brief overview of the effort developed in the application of activated carbon as heterogeneous catalysts in various reactions is presented. Functionalised activated carbon has been used as catalyst for fine chemical reactions. Gas-phase reactions for NO, N2O and CO2 conversions were thoroughly studied using activated carbon as catalyst support. In situ characterization techniques proved to be valuable tools to understand carbon gasification mechanism.
Women in Catalysis
Keywords: Acid catalysis; activated carbons; Carbon reactions; Catalytic reduction; Heterogeneous catalysis

Properties of chars from the gasification and pyrolysis of rice waste streams towards their valorisation as adsorbent materials - D. Dias; N. Lapa; M. Bernardo; D. Godinho; I. Fonseca; M. Miranda; Pinto, F; F. Lemos (Waste Management, 2017)
Rice straw (RS), rice husk (RH) and polyethylene (PE) were blended and submitted to gasification and pyrolysis processes. The chars obtained were submitted to textural, chemical, and ecotoxic characterisations, towards their possible valorisation. Gasification chars were mainly composed of ashes (73.4–89.8wt%), while pyrolysis chars were mainly composed of carbon (53.0–57.6wt%). Silicon (Si) was the major mineral element in all chars followed by alkaline and alkaline-earth metal species (AAEMs). In the pyrolysis chars, titanium (Ti) was also a major element, as the feedstock blends contained high fractions of PE which was the main source of Ti. Gasification chars showed higher surface areas (26.9–62.9m2g−1) and some microporosity, attributed to porous silica. On the contrary, pyrolysis chars did not present a porous matrix, mainly due to their high volatile matter content. The gasification bed char produced with 100% RH, at 850°C, with O2 as gasification agent, was selected for further characterization. This char presented the higher potential to be valorised as adsorbent material (higher surface area, higher content of metal cations with exchangeable capacity, and lowest concentrations of toxic heavy metals). The char was submitted to an aqueous leaching test to assess the mobility of chemical species and the ecotoxic level for V. fischeri. It was observed that metallic elements were significantly retained in the char, which was attributed mainly to its alkaline character. This alkaline condition promoted some ecotoxicity level on the char eluate that was eliminated after the pH correction.
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Keywords: Char; Gasification; Pyrolysis; Rice; Waste streams

Redox- and pH-linked conformational changes in triheme cytochrome PpcA from Geobacter sulfurreducens - Leonor Morgado; Bruix, Marta; P Raj Pokkuluri; Salgueiro, , Carlos A.; Turner, David L. (Biochemical Journal, 2017)
Accepted Manuscript online November 14, 2016.The periplasmic triheme cytochrome PpcA from Geobacter sulfurreducens is highly abundant; it is the likely reservoir of electrons to the outer surface to assist the reduction of extracellular terminal acceptors; these include insoluble metal oxides in natural habitats and electrode surfaces from which electricity can be harvested. A detailed thermodynamic characterization of PpcA showed that it has an important redox-Bohr effect that might implicate the protein in e-/H+ coupling mechanisms to sustain cellular growth. This functional mechanism requires control of both the redox state and the protonation state. In the present study, isotope-labeled PpcA was produced and the three-dimensional structure of PpcA in the oxidized form was determined by NMR. This is the first solution structure of a G. sulfurreducens cytochrome in the oxidized state. The comparison of oxidized and reduced structures revealed that the heme I axial ligand geometry changed and there were other significant changes in the segments near heme I. The pH-linked conformational rearrangements observed in the vicinity of the redox-Bohr center, both in the oxidized and reduced structures, constitute the structural basis for the differences observed in the pKa values of the redox-Bohr center, providing insights into the e-/H+ coupling molecular mechanisms driven by PpcA in G. sulfurreducens.EET, extracellular electron transfer; IM, inner membrane; IPTG, isopropyl β-d-thiogalactoside; MFCs, microbial fuel cells; NOE, Nuclear Overhauser effect; OM, outer membrane; rmsd, root mean square deviation.
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Shaping Helical Electrospun Filaments: A Review - Silva, P. E. S.; Vistulo de Abreu, F.; M. H. Godinho (Soft Matter, 2017)
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Stabilizing Unstable Amorphous Menthol through Inclusion in Mesoporous Silica Hosts - Cordeiro, Teresa; Castiñeira, Carmem; Mendes, Davide; Florence Danède,; João Sotomayor; Fonseca, Isabel M.; Gomes da Silva, Marco; Alexandre Paiva; Barreiros, Susana; Cardoso, M Margarida; Viciosa, Maria T.; Natália T. Correia; et al. (Molecular Pharmaceutics, 2017)
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PMID: 28836790

Structural basis for the role of mammalian aldehyde oxidases in the metabolism of drugs and xenobiotics - Romão, Maria João; Coelho, Catarina; Santos-Silva, Teresa; Foti, Alessandro; Terao, Mineko; Garattini, Enrico; Leimkühler, Silke (Current Opinion in Chemical Biology, 2017)
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.
Biocatalysis & biotransformation * Bioinorganic Chemistry

Triclosan adsorption from model system by mineral sorbent diatomite - Altynay A. Sharipova; Saule B. Aidarova; Neila Ye. Bekturganova; Aiym Tleuova; Moldir Kerimkulova; Orynkul Yessimova; Talmira Kairaliyeva; Olena Lygina; Svitlana Lyubchik; Reinhard Miller (Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2017)
Adsorption of model systems of triclosan by mineral sorbent diatomite is studied. The triclosan equilibrium concentration was measured spectrophotometrically, the morphology of the diatomite characterized using scanning electron microscopy and the amount of the adsorbed triclosan on the diatomite quantified by a mass balance. Adsorption isotherms were analyzed according to the linear/nonlinear form of Langmuir, Freundlich, Sips and Toth isotherm models isotherms, using AMPL software. It is shown that nonlinear Langmuir and Sips isotherm model provided suitable fitting results and no pronounced difference in adsorption efficiency between isotherms measured after 1, 2 and 3days adsorption was observed. Determined maximum adsorption capacity of diatomite towards triclosan qs is 140mg/g. Averaged calculated values of ΔG are −9.9 and −9.6kJ/mol for Langmuir and Sips models respectively. The negative sign of such values indicates spontaneous, physical in nature adsorption.
30th European Colloid and Interface Society Meeting, Rome 2016
Keywords: Adsorption; Adsorption isotherms; Diatomite; Sorbents; Triclosan

Tumor microenvironment modulation via gold nanoparticles targeting malicious exosomes: implications in cancer diagnostics and Therapy - Catarina Roma-Rodrigues; Luis Raposo; Rita Cabral; Fabiana Paradinha; Pedro V. Baptista; Alexandra R. Fernandes (Int. J. Mol. Sci., 2017)
Exosomes are nanovesicles formed in the endosomal pathway with an important role in paracrine and autocrine cell communication. Exosomes secreted by cancer cells, malicious exosomes, have important roles in tumor microenvironment maturation and cancer progression. The knowledge of the role of exosomes in tumorigenesis prompted a new era in cancer diagnostics and therapy, taking advantage of the use of circulating exosomes as tumor biomarkers due to their stability in body fluids and targeting malignant exosomes’ release and/or uptake to inhibit or delay tumor development. In recent years, nanotechnology has paved the way for the development of a plethora of new diagnostic and therapeutic platforms, fostering theranostics. The unique physical and chemical properties of gold nanoparticles (AuNPs) make them suitable vehicles to pursuit this goal. AuNPs’ properties such as ease of synthesis with the desired shape and size, high surface:volume ratio, and the possibility of engineering their surface as desired, potentiate AuNPs’ role in nanotheranostics, allowing the use of the same formulation for exosome detection and restraining the effect of malicious exosomes in cancer progression.
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Tunable Gas Sensing Gels by Cooperative Assembly - Hussain, Abid; Semeano, Ana T. S.; Susana I C J Palma; Ana S Pina; Almeida, José; Medrado, Bárbara F.; Pádua, Ana C. C. S.; Carvalho, Ana L.; Madalena Dionísio; Li, Rosamaria W. C.; Gamboa, Hugo; Ulijn, Rein V.; et al. (Advanced Functional Materials, 2017)
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.
1700803
Keywords: gas sensing; gelatin; ionic liquids; liquid crystals; self-assembly

Tungstophosphoric acid immobilised in SBA-15 as an efficient heterogeneous acid catalyst for the conversion of terpenes and free fatty acids - Castanheiro, J. E.; I. M. Fonseca; A. M. Ramos; Vital, J. (Microporous and Mesoporous Materials, 2017)
Alkoxylation of α−pinene, β−pinene and limonene was performed in the presence of SBA-15-occluded tungstophosphoric acid (HPW). The HPW was immobilised in SBA-15 using the sol-gel method. The catalysts were characterised by N2 adsorption, FT-IR, Raman spectroscopy, X-Ray diffraction, ICP-AES and TEM. A series of catalysts with different heteropolyacid loadings ranging from 1.8 to 19.3 wt. % were prepared. PW4-SBA-15 (with 10.8 wt. %) exhibited the highest catalytic activity for the alkoxylation of α-pinene with ethanol. An approximately 53% selectivity to α-terpinyl ethyl ether was observed over the PW-SBA-15 catalysts. PW4-SBA-15 was also used as a catalyst for the alkoxylation of other terpenes, including β-pinene and limonene. The PW4-SBA-15 catalyst exhibited high catalytic stability for the alkoxylation of α-pinene with ethanol. PW4-SBA-15 was also used as a catalyst for the esterification of free fatty acids (i.e., palmitic, stearic and oleic acids) with ethanol. Good catalytic activity was observed for the PW4-SBA-15 catalyst with the different substrates used in the esterifications.
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Keywords: Fatty acids; Heteropolyacids; SBA-15; Terpenes

Using a bacterial fucose-rich polysaccharide as encapsulation material of bioactive compounds - Sofia C. Lourenço; Torres, Cristiana A. V.; Nunes, Daniela; Paulo Duarte; Freitas, Filomena; Reis, Maria A M; Elvira Fortunato; Margarida Moldão-Martins; Luísa Beirão da Costa; Vítor D. Alves (International Journal of Biological Macromolecules, 2017)
The potential of a bacterial exopolysaccharide named FucoPol, produced by the bacterium Enterobacter A47, as encapsulation matrix was explored. Spherical capsules with a smooth surface were produced by spray drying. The obtained microcapsules had average diameters ranging from 0.5 to 26.7μm and presented thin walls (thickness from 222 to 1094nm). The capsules were loaded with two bioactive compounds: gallic acid (GA) and oregano essential oil (OEO). Both bioactive materials were encapsulated in FucoPol particles, retaining their antioxidant activity after the drying process. Release studies showed that GA release in simulated gastric and intestinal fluids was faster than that of OEO, envisaging that the latter had established stronger interactions with the polymer matrix. These results suggest that FucoPol has a good potential for use as encapsulating material of bioactive compounds for application in several areas, including food, cosmetic or pharmaceutical products.
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Keywords: FucoPol; Gallic acid; Microencapsulation; Oregano essential oil; Spray drying

Methods Used in Future Technology Analysis and its Selection: an application to VTOL transportation system - Abdurrahman M. Yazan (IET Working Papers Series, 2016)
Change is happening at an ever faster rate today, driven partly by technological changes leading to changes in all other areas of our lives. Today’s global trends, uncertainties, and surprises have the potential to significantly change the way the world works tomorrow. Shaping the world we want to live in means being more aware of the future and seeking better approaches. In such increasingly uncertain environment, planning uncertainties force policy and decision makers to foster future-oriented technology analyses (FTA) by using foresight methodologies. FTA can help us react on the likely directions of technologies, manage the risks involved and shape technological trajectories in order to improve the long term benefits to society. Foresight methodologies seek to gather data and make sense of it so that people can think in different and new ways about the future. That data might be collected from humans or from the analysis of documents and artefacts, or both. The data might be analysed using qualitative or quantitative techniques, or both. To be used in strategy processes, however, data needs to be analysed, interpreted and used in ways that make sense to the organisation. There is no single set of methods used in all foresight activities. The methods used need to reflect the resources available and the objectives of the exercise. The choice of methods is critical, though it often appears to be based upon what is fashionable or which practitioners have experience in. The methods may be organised and interrelated in different ways. In other terms, the conduct of foresight analyses needs to be tailored to the type. The first thing to do is to choose the right methods which are most appropriate to the analysis and technology characteristics. One of the substantial advances has been a move away from a tool or method driven approach to one which relies on the selection of tools in accord with their appropriateness for the particular issue being examined, their relative strengths and limitations. Thus, the experience of observing so many developing nations attempting to conduct a Japanese style Delphi survey, with an extremely limited number of ‘experts’ and doubtful relevance of estimated technology realisation times to their economy, indicates the need to develop foresight appropriate to local conditions. Their use and contribution will be determined primarily by the values, structures and cultures of the organisations applying them. This paper will try to discuss the importance of future oriented technology analysis, in particularly technology foresight, and the question of how to select the best methodology among the existing ones. Although this paper intends to lay a framework and cover the tools used in technology futures analysis, in particularly emerging air transportation technologies, a full understanding of each of these tools is out of this paper. The conduct of analysis needs to be tailored to the type. The first thing to do is to choose the right tools which are most appropriate to the analysis and the technology characteristics. Thus, we have to set the criteria and figure out key aspects and factors for designing our research. In our case, the key aspects and factors are: it is a long term vision for 10-15 years later; an emerging air transportation mode; a socio- technological system of systems in transportation area which is composed of resources and stakeholders network, drivers and disruptors; and also normative, both qualitative and quantitative, national and global. The probably research tools that can be used are; agent based modelling, cost benefit analysis, scenarios, impact analysis, case study (Visioning), subjective judgement, roadmap, interviews, benefit visualization tool, literature reviews, and attending conferences.

Expression of CYP1A1 and CYP1A2 in the liver and kidney of rabbits after prolonged infusion of propofol - Campos, Sonia P.; Pinto, Maria de Lurdes; Gomes, Gabriela; de Pinho, Paula Guedes; Monteiro, Joaquim A.; Felix, Luis M.; Branco, Paula S.; Ferreira, Luisa M.; Antunes, Luis M. (EXPERIMENTAL AND TOXICOLOGIC PATHOLOGY, 2016)
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{The Escherichia coli Periplasmic Aldehyde Oxidoreductase Is an Exceptional Member of the Xanthine Oxidase Family of Molybdoenzymes} - Correia, Márcia A. S.; Otrelo-Cardoso, Ana Rita; Schwuchow, Viola; Sigfridsson Clauss, Kajsa G. V.; Haumann, Michael; Romão, Maria João; Leimkühler, Silke; Santos-Silva, Teresa (ACS Chemical Biology, 2016)
The xanthine oxidase (XO) family comprises molybdenum-dependent enzymes that usually form homodimers (or dimers of heterodimers/trimers) organized in three domains that harbor two [2Fe-2S] clusters, one FAD, and a Mo cofactor. In this work, we crystallized an unusual member of the family, the periplasmic aldehyde oxidoreductase PaoABC from Escherichia coli. This is the first example of an E. coli protein containing a molybdopterin-cytosine-dinucleotide cofactor and is the only heterotrimer of the XO family so far structurally characterized. The crystal structure revealed the presence of an unexpected [4Fe-4S] cluster, anchored to an additional 40 residues subdomain. According to phylogenetic analysis, proteins containing this cluster are widely spread in many bacteria phyla, putatively through repeated gene transfer events. The active site of PaoABC is highly exposed to the surface with no aromatic residues and an arginine (PaoC-R440) making a direct interaction with PaoC-E692, which acts as a base catalyst. In order to understand the importance of R440, kinetic assays were carried out, and the crystal structure of the PaoC-R440H variant was also determined.
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{Charging effects and surface potential variations of Cu-based nanowires} - Nunes, D.; Calmeiro, T.R. R; Nandy, S.; Pinto, J.V. V; Pimentel, A.; P. Barquinha; Carvalho, P.A. A; Walmsley, J.C. C; E. Fortunato; R. Martins (Thin Solid Films, 2016)
The present work reports charging effects and surface potential variations in pure copper, cuprous oxide and cupric oxide nanowires observed by electrostatic force microscopy (EFM) and Kelvin probe force microscopy (KPFM). The copper nanowires were produced by wet synthesis, oxidation into cuprous oxide nanowires was achieved through microwave irradiation and cupric oxide nanowires were obtained via furnace annealing in atmospheric conditions. Structural characterization of the nanowires was carried out by X-ray diffraction, scanning electron microscopy, transmission electron microscopy and energy dispersive X-ray spectroscopy. During the EFM experiments the electrostatic field of the positive probe charged negatively the Cu-based nanowires, which in turn polarized the SiO2 dielectric substrate. Both the probe/nanowire capacitance as well as the substrate polarization increased with the applied bias. Cu2O and CuO nanowires behaved distinctively during the EFM measurements in accordance with their band gap energies. The work functions (WF) of the Cu-based nanowires, obtained by KPFM measurements, yielded WFCuO {>} WFCu {>} WFCu2O.
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Keywords: Capacitive effects; charge mapping; Cu-based nanowires; Dielectric polarization; Electrostatic force microscopy; Kelvin probe force microscopy

BioCode gold-nanobeacon for the detection of fusion transcripts causing chronic myeloid leukemia - M Cordeiro; Giestas, L; Lima, J. C.; Baptista, P. M. V. (Journal of Nanobiotechnology, 2016)
BACKGROUND: Gold-nanobeacons (Au-nanobeacons) have proven to be versatile systems for molecular diagnostics and therapeutic actuators. Here, we present the development and characterization of two gold nanobeacons combined with Förster resonance energy transfer (FRET) based spectral codification for dual mode sequence discrimination. This is the combination of two powerful technologies onto a single nanosystem.RESULTS: We proved this concept to detect the most common fusion sequences associated with the development of chronic myeloid leukemia, e13a2 and e14a2. The detection is based on spectral shift of the donor signal to the acceptor, which allows for corroboration of the hybridization event. The Au-nanobeacon acts as scaffold for detection of the target in a homogenous format whose output capability (i.e. additional layer of information) is potentiated via the spectral codification strategy.CONCLUSIONS: The spectral coded Au-nanobeacons permit the detection of each of the pathogenic fusion sequences, with high specificity towards partial complementary sequences. The proposed BioCode Au-nanobeacon concept provides for a nanoplatform for molecular recognition suitable for cancer diagnostics.
This work was supported by Fundacao para a Ciencia e Tecnologia, Ministry of Science and Education (FCT/MEC) [PTDC/QUI-QUI/112597/2009; PTDC/BBB-NAN/1812/2012; CIGMH (PEST-OE/SAU/UI0009/2011); SFRH/BD/87836/2012 to M.C. and SFRH/BPD/88322/2012 to L.G.]; and by Unidade de Ciencias Biomoleculares Aplicadas-UCIBIO [(UID/Multi/04378/2013) and co-financed by the ERDF under the PT2020 Partnership Agreement (POCI-01-0145-FEDER-007728)].
Keywords: bcr-abl; BCR-ABL Positive; Biosensing Techniques; Chronic; Fluorescence Resonance Energy Transfer; Fusion proteins; Gene Expression Regulation; Gold; Humans; Journal Article; leukemia; Leukemic; Metal Nanoparticles; Myelogenous; Nucleic Acid Hybridization

Precision nanomedicine in cancer: how far are we from personalization? - Baptista, Pedro Viana (Expert Review of Precision Medicine and Drug Development, 2016)
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Keywords: Cancer; Nanodiagnostics; Nanomedicine; nanotechnology; precision medicine

Non-small cell lung cancer biomarkers and targeted therapy - two faces of the same coin fostered by nanotechnology - Rita Mendes; Bárbara Carreira; Baptista, Pedro V; Fernandes, Alexandra R (Expert Review of Precision Medicine and Drug Development, 2016)
Lung cancer is the leading cause of cancer-related mortality in the world, non-small lung cancer (NSCLC) is the most frequent subtype (85% of the cases). Within this subtype, adenocarcinoma and squamous cell carcinoma are the most frequent. New therapeutic strategies based on targeted delivery of drugs have relied on the use of biomarkers derived from the patients’ molecular profiling. Several biomarkers have been found to be useful for use as targets for precision therapy in NSCLC, such as mutations in the epidermal growth factor receptor, v-Ki-ras2 Kirsten rat sarcoma viral oncogene homolog, anaplastic lymphoma kinase, mesenchymal-epithelial transition factor receptor tyrosine kinase, BRAF, c-ros oncogene 1, P53 and phosphatase with tensin homology. Current developments in Nanomedicine have allowed for multifunctional systems capable of delivering therapeutics with increased precision to the target site/tissue, while simultaneously assisting in diagnosis. Here, we review the use of biomarkers in nanotechnology translation in NSCLC management.
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Keywords: Adenocarcinoma; Biomarkers; nanomedicines; nanotechnology; Non small cell lung cancer; precision therapy

A novel mutation in CEBPA gene in a patient with acute myeloid leukemia - Raquel Vinhas; Anna Tolmatcheva; Rafaela Canto; Patricia Ribeiro; Lourenco, Alexandra; {de Sousa}, Aida Botelho; Baptista, Pedro Miguel Ribeiro Viana; Fernandes, Maria Alexandra Núncio de Carvalho Ramos (Leukemia & Lymphoma, 2016)
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Keywords: ABSENCE; BINDING-PROTEIN-ALPHA; C/EBP-ALPHA; CYTOGENETICS; prediction

Vanadium Pentoxide Alloyed with Graphite for Thin-Film Thermal Sensors - Bianchi, C.; Ferreira, LM; Loureiro, J.; Rodrigues, A.; Duarte, P; Baptista, A. C.; Ferreira, I. M. (Journal of Electronic Materials, 2016)
The thermoelectric (TE) properties of vanadium pentoxide (V2O5) alloyed with graphite (G) were studied as a function of its incorporation percentage. Variable weight percentages of graphite powder (0–50{%}) were added to V2O5 powder and their mixtures were evaporated by a thermal evaporation technique to form thin films with a thickness in the range of 30–80 nm. In the infrared wavelength region, the transmittance of the obtained films increased as the G percentage was increased, while in the visible range, it decreased with G up to 10{%}. The TE properties were improved when G was in the range of 10–30{%}, while it decreased for the other percentages: Seebeck coefficient (S) changed from 0.6 mV/K to 0.9 mV/K and was zero with a G of 50{%}; the electrical conductivity varied slightly from 5 ($Ømega$m)−1 to 0.7 ($Ømega$m)−1 while the mobility improved from 0.07 cm2/V s to 1.5 cm2/V s and the respective carrier concentration was reduced, from 1 × 1018 cm−3 to 4 × 1016 cm−3. These films were applied as temperature sensors evaluating the thermovoltage as a function of thermal gradient between two electrodes, in which one was maintained at room temperature.
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Enhancing the biodiesel manufacturing process by use of glycerin to produce hyacinth fragrance - Silva, Cauê A. C.; Figueiredo, Flávia C. A.; Rodrigues, Raphael; Sairre, Mirela I.; Gonçalves, Maraisa; Matos, Ines; Fonseca, Isabel M.; Mandelli, Dalmo; Carvalho, Wagner A. (Clean Technologies and Environmental Policy, 2016)
Oxidized and sulfonated-activated carbons (AC) were tested in the catalytic conversion of glycerol by acetalization reactions. The solids were treated with concentrated nitric acid and/or fuming sulfuric acid (AC, AC-N, AC-S, and AC-NS). The presence of sulfur and an increase in the acidity of the solids demonstrate the suitability of the oxidation as well as the sulfonation process, especially in the sample treated with concentrated nitric acid and fuming sulfuric acid (AC-NS). The best catalyst for the reaction of glycerol acetalization with phenylacetaldehyde was AC-NS, with a phenylacetaldehyde conversion of 95 {%} after 90 min at 383 K and selectivity of 88 and 12 {%}, respectively, to dioxolane and dioxane. These products can be used as hyacinth fragrance flavoring compounds. Furthermore, a contribution of homogeneous catalysis in these systems was not identified. Thus, we identified a possibility of glycerol conversion, a biodiesel by-product, into value-added products by suitable catalysts produced from activated carbons.
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Liposomes as Delivery System of a Sn(IV) Complex for Cancer Therapy - Luisa Corvo, M.; Mendo, Ana Soraia; Sara Figueiredo; Gaspar, Rogerio; Miguel Larguinho; Guedes da Silva, M. Fatima C.; Baptista, Pedro Miguel Ribeiro Viana; Fernandes, Maria Alexandra Núncio de Carvalho Ramos (Pharmaceutical Research, 2016)
Tin complexes demonstrate antiproliferative activities in some case higher than cisplatin, with IC50 at the low micromolar range. We have previously showed that the cyclic trinuclear complex of Sn(IV) bearing an aromatic oximehydroxamic acid group [nBu(2)Sn(L)](3) (L=N,2-dihydroxy-5-[N-hydroxyethanimidoyl]benzamide) (MG85) shows high anti-proliferative activity, induces apoptosis and oxidative stress, and causes destabilization of tubulin microtubules, particularly in colorectal carcinoma cells. Despite the great efficacy towards cancer cells, this complex still shows some cytotoxicity to healthy cells. Targeted delivery of this complex specifically towards cancer cells might foster cancer treatment.MG85 complex was encapsulated into liposomal formulation with and without an active targeting moiety and cancer and healthy cells cytotoxicity was evaluated.Encapsulation of MG85 complex in targeting PEGylated liposomes enhanced colorectal carcinoma (HCT116) cancer cell death when compared to free complex, whilst decreasing cytotoxicity in non-tumor cells. Labeling of liposomes with Rhodamine allowed assessing internalization in cells, which showed significant cell uptake after 6 h of incubation. Cetuximab was used as targeting moiety in the PEGylated liposomes that displayed higher internalization rate in HCT116 cells when compared with non-targeted liposomes, which seems to internalize via active binding of Cetuximab to cells.The proposed formulation open new avenues in the design of innovative transition metal-based vectorization systems that may be further extended to other novel metal complexes towards the improvement of their anti-cancer efficacy, which is usually hampered by solubility issues and/or toxicity to healthy tissues.
sem pdf conforme despacho Fundacao para a Ciencia e a Tecnologia (FCT/MEC) - PTDC/BBB-NAN/1812/2012; UCIBIO UID/Multi/04378/2013; UID/DTP/04138/2013
Keywords: (targeted) long circulating liposomes; AGENTS; Antiproliferative; CETUXIMAB THERAPY; colorectal carcinoma; design; Doxorubicin; DRUG-DELIVERY; EFFICACY; IN-VITRO; ORGANOTIN COMPOUNDS; Sn(IV) complexes

{Highly conductive grain boundaries in copper oxide thin films} - Deuermeier, Jonas; Wardenga, Hans F; Morasch, Jan; Siol, Sebastian; Nandy, Suman; Calmeiro, Tomas; Rodrigo Martins; Klein, Andreas; Elvira Fortunato (JOURNAL OF APPLIED PHYSICS, 2016)
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{Influence of Channel Length Scaling on InGaZnO TFTs Characteristics: Unity Current-Gain Cutoff Frequency, Intrinsic Voltage-Gain, and On-Resistance} - Bahubalindruni, Pydi Ganga; Kiazadeh, Asal; Sacchetti, Allegra; Martins, Jorge; Rovisco, Ana; Tavares, Vitor Grade; Rodrigo Martins; Elvira Fortunato; Barquinha, Pedro (JOURNAL OF DISPLAY TECHNOLOGY, 2016)
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Colorimetric assessment of BCR-ABL1 transcripts in clinical samples via gold nanoprobes - Raquel Vinhas; Claudia Correia; Patricia Ribeiro; Lourenco, Alexandra; {de Sousa}, Aida Botelho; Fernandes, Maria Alexandra Núncio de Carvalho Ramos; Baptista, Pedro Miguel Ribeiro Viana (Analytical and Bioanalytical Chemistry, 2016)
Gold nanoparticles functionalized with thiolated oligonucleotides (Au-nanoprobes) have been used in a range of applications for the detection of bioanalytes of interest, from ions to proteins and DNA targets. These detection strategies are based on the unique optical properties of gold nanoparticles, in particular, the intense color that is subject to modulation by modification of the medium dieletric. Au-nanoprobes have been applied for the detection and characterization of specific DNA sequences of interest, namely pathogens and disease biomarkers. Nevertheless, despite its relevance, only a few reports exist on the detection of RNA targets. Among these strategies, the colorimetric detection of DNA has been proven to work for several different targets in controlled samples but demonstration in real clinical bioanalysis has been elusive. Here, we used a colorimetric method based on Au-nanoprobes for the direct detection of the e14a2 BCR-ABL fusion transcript in myeloid leukemia patient samples without the need for retro-transcription. Au-nanoprobes directly assessed total RNA from 38 clinical samples, and results were validated against reverse transcription-nested polymerase chain reaction (RT-nested PCR) and reverse transcription-quantitative polymerase chain reaction (RT-qPCR). The colorimetric Au-nanoprobe assay is a simple yet reliable strategy to scrutinize myeloid leukemia patients at diagnosis and evaluate progression, with obvious advantages in terms of time and cost, particularly in low- to medium-income countries where molecular screening is not routinely feasible.
Sem pdf conforme despacho. Fundacao para a Ciencia e a Tecnologia (FCT/MEC) - PTDC/BBB-NAN/1812/2012; UCIBIO UID/Multi/04378/2013; ERDF - POCI-01-0145-FEDER-007728; SFRH/BD/52211/2013
Keywords: ABL; CHRONIC MYELOGENOUS LEUKEMIA; chronic myeloid leukemia; CHRONIC MYELOID-LEUKEMIA; Colorimetric detection; diagnostics; Gold nanoparticles; IMATINIB; INTERFERON; leukemia; MANAGEMENT; RECOMMENDATIONS; RNA; STEM-CELLS; tyrosine kinase inhibitors

{Radiation-Tolerant Flexible Large-Area Electronics Based on Oxide Semiconductors} - Cramer, Tobias; Sacchetti, Allegra; Lobato, Maria Teresa; Barquinha, Pedro; Fischer, Vincent; Benwadih, Mohamed; Bablet, Jacqueline; Elvira Fortunato; Rodrigo Martins; Fraboni, Beatrice (ADVANCED ELECTRONIC MATERIALS, 2016)
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Editorial: Cancer Nanotheranostics: What Have We Learned So Far? - João Conde; Furong Tian; {de la Fuente}, Jesus M.; Baptista, Pedro Miguel Ribeiro Viana (Frontiers in Chemistry, 2016)
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info:eu-repo/grantAgreement/EC/FP7/626386/EU#
Keywords: Cancer; Nanomaterials; nanoparticles; nanotechnology; nanotheranostics; oncology

{Mapping the Electrical Properties of ZnO-Based Transparent Conductive Oxides Grown at Room Temperature and Improved by Controlled Postdeposition Annealing} - Lyubchyk, Andriy; Vicente, António; Soule, Bertrand; Pedro Urbano Alves; Mateus, Tiago; Mendes, Manuel J.; Hugo Águas; Elvira Fortunato; Rodrigo Martins (Advanced Electronic Materials, 2016)
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Keywords: aluminum zinc oxide; annealing maps; Electrical properties; thin films

{Synthesis of WO3 nanoparticles for biosensing applications} - Santos,Lídia; Silveira, Célia M.; Elangovan, Elamurugu; Neto, Joana P.; Nunes, Daniela; Pereira, LuÍs; Rodrigo Martins; Viegas, Jaime; Moura, José J. G.; Todorovic, Smilja; Almeida, M. Gabriela; Elvira Fortunato (Sensors and Actuators B: Chemical, 2016)
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Diverse specificity of cellulosome attachment to the bacterial cell surface - Brás, Joana L A; Pinheiro, Benedita A.; Cameron, Kate; Cuskin, Fiona; Viegas, Aldino; Najmudin, Shabir; Bule, Pedro; Pires, Virginia M R; Romão, Maria João; Bayer, Edward A.; Spencer, Holly L; Smith, Steven; et al. (Scientific Reports, 2016)
During the course of evolution, the cellulosome, one of Nature's most intricate multi-enzyme complexes, has been continuously fine-tuned to efficiently deconstruct recalcitrant carbohydrates. To facilitate the uptake of released sugars, anaerobic bacteria use highly ordered protein-protein interactions to recruit these nanomachines to the cell surface. Dockerin modules located within a non-catalytic macromolecular scaffold, whose primary role is to assemble cellulosomal enzymatic subunits, bind cohesin modules of cell envelope proteins, thereby anchoring the cellulosome onto the bacterial cell. Here we have elucidated the unique molecular mechanisms used by anaerobic bacteria for cellulosome cellular attachment. The structure and biochemical analysis of five cohesin-dockerin complexes revealed that cell surface dockerins contain two cohesin-binding interfaces, which can present different or identical specificities. In contrast to the current static model, we propose that dockerins utilize multivalent modes of cohesin recognition to recruit cellulosomes to the cell surface, a mechanism that maximises substrate access while facilitating complex assembly.
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Gold nanoparticles for diagnostics: Advances towards points of care - Cordeiro, Milton; Pedro Pedrosa; Carlos, Fábio Ferreira; António Lopez; Baptista, Pedro Viana (Diagnostics, 2016)
The remarkable physicochemical properties of gold nanoparticles (AuNPs) have prompted developments in the exploration of biomolecular interactions with AuNP-containing systems, in particular for biomedical applications in diagnostics. These systems show great promise in improving sensitivity, ease of operation and portability. Despite this endeavor, most platforms have yet to reach maturity and make their way into clinics or points of care (POC). Here, we present an overview of emerging and available molecular diagnostics using AuNPs for biomedical sensing that are currently being translated to the clinical setting.
The authors acknowledge Fundacao para a Ciencia e Tecnologia (FCT/MEC) for funding: REQUIMTE (Pest-C/EQB/LA0006/2011); UCIBIO (UID/Multi/04378/2013); SFRH/BD/87836/2012 for MC; PD/BD/105734/2014 for PP. WaterJPI/0003/2013-TRACE for FFC.
Keywords: Biomolecular sensing; Diagnosis; Gold nanoparticles; Point-of-need

Heteroleptic mononuclear compounds of ruthenium(II): Synthesis, structural analyses, in vitro antitumor activity and in vivo toxicity on zebrafish embryos - Lenis-rojas, O. A.; Fernandes, A. R.; Catarina Roma-Rodrigues; Baptista, P. V.; Marques, F.; Pérez-Fernández, D; Guerra-Varela, J.; Lissete Sánchez-Magraner; D. Vázquez-garcía; Torres, M. López; A. Fernández-Planells; J. Fernández-Rosas (Dalton Transactions, 2016)
The limitations of platinum complexes in cancer treatment have motivated the extensive investigation into other metal complexes such as ruthenium. We herein present the synthesis and characterization of a new family of ruthenium compounds 1a–5a with the general formula [Ru(bipy)2L][CF3SO3]2 (bipy = 2,2′-bipyridine; L = bidentate ligand: N,N; N,P; P,P; P,As) which have been characterized by elemental analysis, ES-MS, 1H and 31P–{1H} NMR, FTIR and conductivity measurements. The molecular structures of four Ru(II) complexes were determined by single crystal X-ray diffraction. All compounds displayed moderate cytotoxic activity in vitro against human A2780 ovarian, MCF7 breast and HCT116 colorectal tumor cells. Compound 5a was the most cytotoxic compound against A2780 and MCF7 tumor cells with an IC50 of 4.75 ± 2.82 μM and 20.02 ± 1.46 μM, respectively. The compounds showed no cytotoxic effect on normal human primary fibroblasts but rather considerable selectivity for A2780, MCF7 and HCT116 tumor cells. All compounds induce apoptosis and autophagy in A2780 ovarian carcinoma cells and some nuclear DNA fragmentation. All compounds interact with CT-DNA with intrinsic binding constants in the order 1a > 4a > 2a > 3a > 5a. The observed hyperchromic effect may be due to the electrostatic interaction between positively charged cations and the negatively charged phosphate backbone at the periphery of the double helix-CT-DNA. Interestingly, compound 1a shows a concentration dependent DNA double strand cleavage. In addition in vivo toxicity has been evaluated on zebrafish embryos unveiling the differential toxicity between the compounds, with LC50 ranging from 8.67 mg L−1 for compound 1a to 170.30 mg L−1 for compound 2a.
Sem PDF conforme despacho.. info:eu-repo/grantAgreement/FCT/5876/147266/PT# info:eu-repo/grantAgreement/FCT/5876/147258/PT# Xunta de Galicia (Galicia, Spain) under the Grupos de Referencia Competitiva Programme (GRC2014/042) Universidade da Coruna Universidad de Santiago de Compostela (GRC2014/010) Xunta de Galicia (EM2014/056) FCT (UID/Multi/04349/2013) FCT/MEC (UID/Multi/04378/2013) ERDF (POCI-01-0145-FEDER-007728)
Keywords: anticancer activity; AUTOPHAGIC CELL-DEATH; CANCER-CELLS; DEVELOPMENTAL TOXICITY; DNA-BINDING; DRUG DISCOVERY; HUMAN-DISEASE; MODEL SYSTEM; PLATINUM; POLYPYRIDYL COMPLEXES

High efficacy on diclofenac removal by activated carbon produced from potato peel waste - M. Bernardo; Rodrigues, S.; N. Lapa; Matos, I.; F. Lemos; Batista, M. K. S.; Carvalho, A. P.; I. Fonseca (International Journal of Environmental Science and Technology, 2016)
In the present study, a novel porous carbon obtained by K2CO3 activation of potato peel waste under optimized conditions was applied for the first time as liquid-phase adsorbent of sodium diclofenac in parallel with a commercial activated carbon. The biomass-activated carbon presented an apparent surface area of 866 m2 g−1 and well-developed microporous structure with a large amount of ultramicropores. The obtained carbon presented leaching and ecotoxicological properties compatible with its safe application to aqueous medium. Kinetic data of laboratory-made and commercial sample were best fitted by the pseudo-second-order model. The commercial carbon presented higher uptake of diclofenac, but the biomass carbon presented the higher adsorption rate which was associated with its higher hydrophilic nature which favoured external mass transfer. Both adsorbents presented adsorption isotherms that were best fitted by Langmuir model. The biomass carbon and the commercial carbon presented adsorption monolayer capacities of 69 and 146 mg g−1, and Langmuir constants of 0.38 and 1.02 L mg−1, respectively. The better performance of the commercial sample was related to its slightly higher micropore volume, but the most remarkable effect was the competition of water molecules in the biomass carbon.
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Smart City Energy Planning: Integrating Data and Tools - Gouveia, João Pedro; Júlia Seixas; George Giannakidis (AW4City - International World Wide Web Conference, 2016)

Infection of human keratinocytes by Streptococcus dysgalactiae subspecies dysgalactiae isolated from milk of the bovine udder - Catarina Roma-Rodrigues; Cynthia Alves-Barroco; Raposo, Luis R.; Costa, Mafalda N.; Elvira Fortunato; Baptista, Pedro Miguel Ribeiro Viana; Fernandes, Maria Alexandra Núncio de Carvalho Ramos; Ilda Santos-Sanches (Microbes And Infection, 2016)
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. (C) 2015 Institut Pasteur. Published by Elsevier Masson SAS. All rights reserved.
Sem PDF. Fundacao para a Ciencia e a Tecnologia (FCT) - (PTDC/CVT-EPI/4651/2012; PTDC/BBB-NAN/1812/2012; UID/CTM/50025/2013)
Keywords: Adhesion; Bovine; Host; Human keratinocytes; Internalization; Streptococcus dysgalactiae subspecies dysgalactiae

Ring Opening of 6-Azabicyclo{[}3.1.0]hex-3-en-2-ols in Water under Mild Conditions - Vale, Joao R.; Siopa, Filipa; Branco, Paula S.; Afonso, Carlos A. M. (EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2016)
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Daily Electricity Profiles from Smart Meters - Proxies of Active Behaviour for Space Heating and Cooling - Gouveia, J. P.; Seixas, J.; Mestre, A. (BEHAVE 4th European Conference on Behaviour and Energy Efficiency, 2016)

Mapping fuel poverty in Portugal - Simões, Sofia; Vera Gregório; Júlia Seixas (Energy Economics Iberian Conference, 2016)

Tracking fuel poverty with smart meters: the case of Évora - Gouveia, João Pedro; Júlia Seixas (Energy Economics Iberian Conference, 2016)

Reforço da eficiência energética à escala do município. Um processo em evolução - Poggi, Francesca; Ana Firmino; Amado, Miguel (º Simpósio Lusófono, Cidades pra Nós – Envolver comunidades e cidadãos no desenvolvimento sustentável, 2016)

) Integrative Smart City Planning – Energy system modelling for the city of Évora - Dias, L.; Simões, S. (ETSAP Workshop, 2016)

Energy Use Equity: analysis from smart meters, surveys and energy simulations - Gouveia, J. P.; Seixas, J. (22nd Annual Conference of the International Sustainable Development Research Society, 2016)

Fuel Poverty and Fuel Obesity: what smart meters tell us - Gouveia, J. P.; Seixas, J. (International Society for Ecological Economics Conference, 2016)

The InSmart integrated approach towards modelling smart low carbon cities - Gouveia, J. P.; Simões, S.; Dias, L.; Seixas, J. (EERA Conference 2016, 2016)

The Sustainable Development Goals in a NEXUS perspective among the food trade market – focus on the EU agri-food import dependency - Barbosa, J.; Brás, T.; Seixas, J. (Fourth Annual International Conference on Sustainable Development, 2016)

Sensing surface morphology of biofibers by decorating spider silk and cellulosic filaments with nematic microdroplets - Aguirre, Luis E.; de Oliveira, Alexandre; Seč, David; Čopar, Simon; Almeida, Pedro L; Ravnik, Miha; Godinho, Maria Helena; Žumer, Slobodan (Proceedings of the National Academy of Sciences, 2016)
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.
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