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2013
Bahubalindruni, Ganga, Tavares, Vitor Grade, Barquinha, Duarte, Candido, de Oliveira, Pedro Guedes, Martins, Fortunato E.  2013.  Transparent Current Mirrors With a-GIZO TFTs: Neural Modeling, Simulation and Fabrication. Journal of Display Technology. 9(12):1001-1006.
Caires, L, Seco JC.  2013.  The Type Discipline of Behavioral Separation. Proceedings of the 40th Symposium on Principles of Programming Languages (POPL). Abstract

We introduce the concept of behavioral separation as a general prin- ciple for disciplining interference in higher-order imperative con- current programs, and present a type-based approach that system- atically develops the concept in the context of an ML-like language extended with concurrency and synchronization primitives. Behav- ioral separation builds on notions originally introduced for behav- ioral type systems and separation logics, but shifts the focus from the separation of static program state properties towards the sep- aration of dynamic usage behaviors of runtime values. Behavioral separation types specify how values may be safely used by client code, and can enforce fine-grained interference control disciplines while preserving compositionality, information hiding, and flexi- bility. We illustrate how our type system, even if based on a small set of general primitives, is already able to tackle fairly challenging program idioms, involving aliasing at various types, concurrency with first-class threads, manipulation of linked data structures, be- havioral borrowing, and invariant-based separation.

Baltazar, LG, Henriques FMA, Jorne F, Cidade MT.  2013.  The use of rheology in the study of the composition effects on the fresh behaviour of hydraulic lime grouts for injection of masonry walls. Rheologica Acta . 52(2):127-138.
Amado, M, Freitas J, Rodrigues E, Ribeiro R.  2013.  Walkability as a Strategy towards Inclusive Communities: Case of a Portuguese Small Town. International Journal of Civil, Architectural Science and Engineering. Vol. nº 7(Nº 8):1-7.
Baumann, M.  2013.  {A constructive technology assessment of stationary energy storage systems: prospective life cycle orientated analysis}. , Number 01/2013: Universidade Nova de Lisboa, IET/CICS.NOVA-Interdisciplinary Centre on Social Sciences, Faculty of Science and Technology Abstract

Environmental concerns over the use of fossil fuels and their resource constraints have increased the interest in generating electric energy from renewable energy sources (RES) to provide a sustainable electricity supply. A main problem of those technologies (wind or solar power generation) is that they are not constant and reliable sources of power. This results inter alia in an increased demand of energy storage technologies. Related stake holders show a big interest in the technical, economic and ecologic aspects of new emerging energy storage systems. This comes especially true for electrochemical energy storage systems as different Li-Ion batteries, Sodium Sulfur or Redox Flow batteries which can be utilized in all grid voltage levels, a wide range of grid applications as well as end user groups (e.g. private households, industry). A prospective and active Constructive Technology Assessment (CTA) can help to minimize potential mismatches, wrong investments, possible social conflicts, and environmental impacts of new energy storage technologies in an early development stage. It is insufficient to exclusively look at the operation phase to assess a technology. Such an approach can lead to misleading interpretations and can furthermore disregard social or ecological impact factors over the whole life cycle. Different energy storage technologies have to be evaluated in a prospective manner with a full integrated sustainability and life cycle approach to form a base for decision making and to support technology developers in order to allow distinctions between more or less sustainable battery technology variations. Therefore CTA is used as a scientific approach using several “neighbouring” engineering orientated disciplines e.g. Life Cycle Analysis (LCA), Social Life Cycle Assessment (SLCA) or Life Cycle Costs (LCC) and their methodologies which were initially developed for other purposes.The aim of the presented PhD Thesis is to make an economic, technological and

Daniel, CI, Chavez FV, Feio G, Portugal CA, Crespo JG, Sebastiao PJ.  2013.  1H NMR relaxometry, viscometry, and PFG NMR studies of magnetic and nonmagnetic ionic liquids. J Phys Chem B. 117:11877-84., Number 39 AbstractWebsite

A study is presented of the molecular dynamics and of the viscosity in pure [Aliquat][Cl] ionic liquid and in a mixture of [Aliquat][Cl] with 1% (v/v) of [Aliquat][FeCl4]. The (1)H spin-lattice relaxation rate, R1, was measured by NMR relaxometry between 8 and 300 MHz. In addition, the translation self-diffusion, D, was measured by pulse field gradient NMR. The ILs' viscosity was measured as a function of an applied magnetic field, B, and it was found that the IL mixture's viscosity decreased with increasing B, whereas the [Aliquat][Cl] viscosity is independent of B. All experimental results were analyzed taking into account the viscosity's magnetic field dependence, assuming a modified Stokes-Einstein diffusion/viscosity relation. The main difference between the relaxation mechanisms responsible for R1 in the two IL systems is related to the additional paramagnetic relaxation contribution associated with the (1)H spins-[FeCl4] paramagnetic moments' interactions. Cross-relaxation cusps in the R1 dispersion, associated with (35)Cl and (1)H nuclear spins in the IL systems, were detected. The R1 model considered was successfully fitted to the experimental results, and it was possible to estimate the value of D at zero field in the case of the IL mixture which was consistent with the values of D measured at 7 and 14.1 T and with the magnetic field dependence estimated from the viscosity measurements. It was observed that a small concentration of [Aliquat][FeCl4] in the [Aliquat][Cl] was enough to produce a "superparamagnetic"-like effect and to change the IL mixture's molecular dynamics and viscosity and to allow for their control with an external magnetic field.

dos Santos, R, Rocha A, Matias A, Duarte C, de Sá-Nogueira I, Lourenco N, Borges JP, Vidinha P.  2013.  Development of antimicrobial Ion Jelly fibers. RSC Adv.. 3:24400-24405.: The Royal Society of Chemistry Abstract

We report a method to obtain electrospun fibers based on ionic liquids and gelatin, exhibiting antimicrobial properties.

Lipinska, ME, Teixeira DMD, Laia CAT, Silva AMG, Rebelo SLH, Freire C.  2013.  beta-Functionalized zinc(II)aminoporphyrins by direct catalytic hydrogenation. Tetrahedron Letters. 54:110-113., Number 1 AbstractWebsite
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Cruz, C, Santos SD, Cabrita EJ, Queiroz JA.  2013.  Binding analysis between l-histidine immobilized and oligonucleotides by SPR and NMR. International Journal of Biological Macromolecules. 56:175-180. Abstract

Saturation transfer difference (STD) NMR technique and surface plasmon resonance (SPR) are used to study amino acid affinity supports–nucleotides interactions with l-histidine amino acid immobilized on a surface as model support. We have immobilized l-histidine ligand on a carboxymethyldextran- modified gold surface intended for surface plasmon resonance and we analyze the binding profiles of synthetic polynucleotides (1–6 base, sugar and backbone) by determining the equilibrium dissociation constant (KD). The SPR binding profile (square-shaped) is identical for all the complexes and the highest binding affinity can be found for polyA6 followed by polyG6 . As expected, the 5′ -mononucleotides have the lowest affinity. To further study the structural aspects of the interaction we investigate the polynucleotide binding preferences to l-histidine chromatography support by STD-NMR spectroscopy. These results revealed that an increase in the number of bases and backbone to 6 units leads to more contacts with the support, where the main driving force for the interaction with polynucleotides are through the base, except for polyC6 , which is mainly through sugar-phosphate backbone. Therefore, the combination of SPR measurements with STD-NMR technique allowed to establish fine details of the molecular recognition process involved in amino acid affinity supports–nucleotides complexes.

Gawande, MB, Branco PS, Nogueira ID, Ghumman ACA, Bundaleski N, Santos A, Teodoro OMND, Luque R.  2013.  Catalytic applications of a versatile magnetically separable Fe-Mo (Nanocat-Fe-Mo) nanocatalyst. GREEN CHEMISTRY. 15:682-689., Number 3 Abstract
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Seixas, JD, Mukhopadhyay A, Santos-Silva T, Otterbein LE, Gallo DJ, Rodrigues SS, Guerreiro BH, Goncalves AML, Penacho N, Marques AR, Coelho AC, Reis PM, Romao MJ, Romao CC.  2013.  Characterization of a versatile organometallic pro-drug (CORM) for experimental CO based therapeutics. Dalton Transactions. 42:5985-5998., Number 17 AbstractWebsite
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Moro, A, Diniz AM, Petrov V, Pina F.  2013.  Chemistry of 7,8-dihydroxy-2-(4-dimethylaminostyryl)-1-benzopyrylium. A photochromic system switching from yellow to green. Journal of Photochemistry and Photobiology a-Chemistry. 263:17-23. AbstractWebsite
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Gavara, R, Petrov V, Quintas A, Pina F.  2013.  Circular dichroism of anthocyanidin 3-glucoside self-aggregates. Phytochemistry. 88:92-98. AbstractWebsite
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Pedrosa, P, Veigas B, Machado D, Perdigão J, Portugal I, Couto I, Viveiros M, Baptista {PV}.  2013.  Detec{\c c}ão de MDRTB por gold-nanoprobes – uma nova abordagem tecnológica desenvolvida em Portugal. Abstract
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Mukhopadhyay, A, Bursakov SA, Ramos JL, Wittich RM, Kladova AV, Romao MJ, van Dillewijn P, Carvalho AL.  2013.  Determinants of selective group reduction in the TNT-bound xenobiotic reductase B from P. putida. European Biophysics Journal with Biophysics Letters. 42:S179-S179. AbstractWebsite
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Ferreira, JL, Avila MJ, Melo MJ, Ramos AM.  2013.  Early aqueous dispersion paints: Portuguese artists' use of polyvinyl acetate, 1960s-1990s. Studies in Conservation. 58:211-225., Number 3 AbstractWebsite
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Basilio, N, Fernandes A, de Freitas V, Gago S, Pina F.  2013.  Effect of beta-cyclodextrin on the chemistry of 3 ',4 ',7-trihydroxyflavylium. New Journal of Chemistry. 37:3166-3173., Number 10 AbstractWebsite
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Petrov, V, Stanimirov S, Petrov IK, Fernandes A, de Freitas V, Pina F.  2013.  Emptying the beta-Cyclodextrin Cavity by Light: Photochemical Removal of the trans-Chalcone of 4 ',7-Dihydroxyflavylium. Journal of Physical Chemistry A. 117:10692-10701., Number 41 AbstractWebsite
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Neves, CS, Granadeiro CM, Cunha-Silva L, Ananias D, Gago S, Feio G, Carvalho PA, Eaton P, Balula SS, Pereira E.  2013.  Europium Polyoxometalates Encapsulated in Silica Nanoparticles Characterization and Photoluminescence Studies. European Journal of Inorganic Chemistry. :2877-2886., Number 16 AbstractWebsite
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Neves, CS, Granadeiro CM, Cunha-Silva L, Ananias D, Gago S, Feio G, Carvalho PA, Eaton P, Balula SS, Pereira E.  2013.  Europium Polyoxometalates Encapsulated in Silica Nanoparticles Characterization and Photoluminescence Studies. European Journal of Inorganic Chemistry. :2877-2886., Number 16 AbstractWebsite

The incorporation of europium polyoxometalates into silica nanoparticles can lead to a biocompatible nanomaterial with luminescent properties suitable for applications in biosensors, biological probes, and imaging. Keggin-type europium polyoxometalates Eu(PW11)x (x = 1 and 2) with different europium coordination environments were prepared by using simple methodologies and no expensive reactants. These luminescent compounds were then encapsulated into silica nanoparticles for the first time through the water-in-oil microemulsion methodology with a nonionic surfactant. The europium polyoxometalates and the nanoparticles were characterized by using several techniques [FTIR, FT-Raman, 31P magic angle spinning (MAS) NMR, and TEM/energy-dispersive X-ray spectroscopy (TEM-EDS), AFM, dynamic light scattering (DLS), and inductively coupled plasma MS (ICP-MS) analysis]. The stability of the material and the integrity of the europium compounds incorporated were also examined. Furthermore, the photoluminescence properties of the Eu(PW11)x@SiO2 nanomaterials were evaluated and compared with those of the free europium polyoxometalates. The silica surface of the most stable nanoparticles was successfully functionalized with appropriate organosilanes to enable the covalent binding of oligonucleotides.

Pereira, CCL, Dias S, Coutinho I, Leal JP, Branco LC, Laia CAT.  2013.  Europium(III) Tetrakis(beta-diketonate) Complex as an Ionic Liquid: A Calorimetric and Spectroscopic Study. Inorganic Chemistry. 52:3755-3764., Number 7 AbstractWebsite
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Gawande, MB, Guo H, Rathi AK, Branco PS, Chen Y, Varma RS, Peng D-L.  2013.  First application of core-shell Ag@Ni magnetic nanocatalyst for transfer hydrogenation reactions of aromatic nitro and carbonyl compounds. RSC ADVANCES. 3:1050-1054., Number 4 Abstract
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Petrov, V, Gavara R, Dangles O, Al Bittar S, Mora-Soumille N, Pina F.  2013.  A flash photolysis and stopped-flow spectroscopy study of 3 ',4 '-dihydroxy-7-O-beta-D-glucopyranosyloxyflavylium chloride, an anthocyanin analogue exhibiting efficient photochromic properties. Photochemical & Photobiological Sciences. 12:576-581., Number 3 AbstractWebsite
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Aguilo, E, Gavara R, Lima JC, Llorca J, Rodriguez L.  2013.  From Au(I) organometallic hydrogels to well-defined Au(0) nanoparticles. Journal of Materials Chemistry C. 1:5538-5547., Number 35 Abstract
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Oliveira, FS, Pereiro AB, Araujo JM, Bernardes CE, Canongia Lopes JN, Todorovic S, Feio G, Almeida PL, Rebelo LP, Marrucho IM.  2013.  High ionicity ionic liquids (HIILs): comparing the effect of ethylsulfonate and ethylsulfate anions. Phys Chem Chem Phys. 15:18138-47., Number 41 AbstractWebsite

The subject of ionicity has been extensively discussed in the last decade, due to the importance of understanding the thermodynamic and thermophysical behaviour of ionic liquids. In our previous work, we established that ionic liquids' ionicity could be improved by the dissolution of simple inorganic salts in their milieu. In this work, a comparison between the thermophysical properties of two binary systems of ionic liquid + inorganic salt is presented. The effect of the ammonium thiocyanate salt on the ionicity of two similar ionic liquids, 1-ethyl-3-methylimidazolium ethylsulfonate and ethylsulfate, is investigated in terms of the related thermophysical properties, such as density, viscosity and ionic conductivity in the temperature range 298.15-323.15 K. In addition, spectroscopic (NMR and Raman) and molecular dynamic studies were conducted in order to better understand the interactions that occur at a molecular level. The obtained results reveal that although the two anions of the ionic liquid exhibit similar chemical structures, the presence of one additional oxygen in the ethylsulfate anion has a major impact on the thermophysical properties of the studied systems.

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