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2017
Fortes, P, Proença S, Simoes SG, Seixas J.  2017.  Can green power lead to green growth? A study for Portugal 15th IAEE European Conference "Heading towards sustainable energy systems: Evolution or Revolution?". , Vienna, Austria. 3-6 September, https://www.aaee.at/iaee2017/: Hofburg Congress Center
Dupont, J, Simon NM, Zanatta M, dos Santos FP, Corvo MC, Cabrita EJ.  2017.  Carbon dioxide capture by aqueous ionic liquid solutions. ChemSusChem. AbstractWebsite

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.

Carreira, C, Pauleta SR, Moura I.  2017.  The catalytic cycle of nitrous oxide reductase - The enzyme that catalyzes the last step of denitrification. J Inorg Biochem. 177:423-434.
Berride, F, Troche-Pesqueira E, Feio G, Cabrita EJ, Sierra T, Navarro-Vázquez A, Cid MM.  2017.  Chiral amplification of disodium cromoglycate chromonics induced by a codeine derivative. Soft Matter. 13(38):6810-6815. AbstractWebsite

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.

João, C, Kullberg AT, Silva JC, Borges JP.  2017.  Chitosan Inverted Colloidal Crystal scaffolds: Influence of molecular weight on structural stability. Materials Letters. 193(15):50-53. AbstractWebsite

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.

  2017.  CIBEM presentation.
Sanchez-Sobrado, O, et al.  2017.  Colloidal-lithographed TiO2 photonic nanostructures for solar cell light trapping. J. Mater. Chem. C. 5:6852-6861.
Matias, SC, Lourenço NMT, Fonseca JP, Cordas CM.  2017.  Comparative electrochemical behavior of cytochrome c on aqueous solutions containing choline-based room temperature ionic liquids. ChemistrySelect. 2:8701–8705.Website
Simoes, S, Nijs W, Ruiz P, Sgobbi A, Thiel C.  2017.  Comparing policy routes for low-carbon power technology deployment in EU – an energy system analysis. Energy Policy. 101:353–365.
Machado, MA, Rosado L, Pedrosa N, Miranda RM, Piedade M, Santos TG.  2017.  Customized Eddy Current Probes for Pipe Inspection. Studies in Applied Electromagnetics and Mechanics. :283-290.: IOS Press Ebooks Abstract

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.

Gouveia, JP, Seixas J, Mestre A.  2017.  Daily Electricity Profiles from Smart Meters - Proxies of Active Behaviour for Space Heating and Cooling. Energy. 141:108-122. AbstractWebsite

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.

Cruz, H, Jordão N, Amorim P, Dionísio M, Branco LC.  2017.  Deep Eutectic Solvents as Suitable Electrolytes for Electrochromic Devices. ACS Sustainable Chemistry and Engineering. 6(2):2240-2249.Website
Ribeiro, SO, Nogueira LS, Gago S, Almeida PL, Corvo MC, de Castro B, Granadeiro CM, Balula SS.  2017.  Desulfurization Process conciliating Heterogeneous Oxidation and liquid extraction: Organic Solvent or Centrifugation/Water? Applied Catalysis A: General. : Elsevier AbstractWebsite

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.

Peixoto, D, Figueiredo M, Gawande MB, Corvo MC, Vanhoenacker G, Afonso CAM, Ferreira LM, Branco PS.  2017.  DEVELOPMENTS IN THE REACTIVITY OF 2-METHYL IMIDAZOLIUM SALTS. The Journal of Organic Chemistry. 82(12):6232–6241.: American Chemical Society AbstractWebsite

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.

Almeida, RM, Dell'Acqua S, Moura I, Pauleta SR, Moura JJG.  2017.  Electron transfer and molecular recognition in denitrification and nitrate dissimilatory pathways. Metalloenzymes in Denitrification: Applications and Environmental Impacts, RSC Metallobiology Series No. 9 (ISBN: 978-1-78262-376-2).. (Moura, I., Moura, J. J. G., Pauleta, S. R., Maia, L. B., Eds.).:252-286.: Royal Society of Chemistry
Gregório, V, Seixas J.  2017.  Energy Savings Potential in Urban Rehabilitation: A Spatial-Based Methodology Applied to Historic Centres. Energy and Buildings. 152:11-23.
Peters, J, Baumann M, Zimmermann B, Braun J, Weil M.  2017.  The environmental impact of Li-Ion batteries and the role of key parameters - A review. Renewable and Sustainable Energy Reviews. 2017(67):491-506. AbstractWebsite

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.

Baumann, M, Marcelino C, Peters J, Weil M, Almeida P, Wanner E.  2017.  Environmental impacts of different battery technologies in renewable hybrid micro-grids. IEEE International Conference on Innovative Smart Grid Technologies. , Turin: IEEE
Maia, LB, Moura I, Moura JJG.  2017.  EPR spectroscopy on mononuclear molybdenum-containing enzymes. Future Directions in Metalloprotein and Metalloenzyme Research, Biological Magnetic Resonance, Vol. 33 (ISBN: 978-3-319-59100-1). (Hanson, G., Berliner, L.J., Eds.).:55-101., Cham: Springer International Publishing Abstract

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.

Sebastian, R, Simoes SG.  2017.  Evaluating and mapping the energy efficiency potential in the Building sector of the Almada Municipality. Annual APEEN Conference. , Lisbon, Portugal. 9 May. http://www.apeen.org/en/conferencia-anual-apeen-2017/: ISCTE
Versteeg, T, Baumann M, Weil M, Moniz AB.  2017.  Exploring emerging battery technology for grid-connected energy storage with Constructive Technology Assessment. Technological Forecasting and Social Change. 115:99-110. AbstractWebsite

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.

Delgado-Lima, A, Borges JP, Ferreira I, Machado A.  2017.  Fluorescent and conductive cellulose acetate-based membranes with porphyrins. Materials today Communications. 11:26-37. AbstractWebsite

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.

Delgado-Lima, A, Borges JP, Ferreira IM, Machado AV.  2017.  Fluorescent and conductive cellulose acetate-based membranes with porphyrins. Materials Today Communications. 11:26-37. AbstractWebsite

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.

Dias, AMGC, Roque ACA.  2017.  The future of protein scaffolds as affinity reagents for purification. Biotechnology and Bioengineering. 114:481–491., Number 3 Abstract

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.

Mendes, R, Fernandes AR, Baptista PV.  2017.  Gold Nanoparticle Approach to the Selective Delivery of Gene Silencing in Cancer—The Case for Combined Delivery? Genes. 3(8):94. Abstract

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