Preparation method and thermal properties of samarium andeuropium-doped alumino-phosphate glasses - Sava B.A; Elisa M.; Boroica L.; Monteiro R.C.C. (Materials Science and Engineering: B, 2013)
The present work investigates alumino-phosphate glasses from Li2O–BaO–Al2O3–La2O3–P2O5 system containing Sm3+ and Eu3+ ions, prepared by two different ways: a wet raw materials mixing route followed by evaporation and melt-quenching, and by remelting of shards. The linear thermal expansion coefficient measured by dilatometry is identical for both rare-earth-doped phosphate glasses. Comparatively to undoped phosphate glass the linear thermal expansion coefficient increases with 2 × 10−7 K−1 when dopants are added. The characteristic temperatures very slowly decrease but can be considered constant with atomic weight, atomic number and f electrons number of the doping ions in the case of Tg (vitreous transition temperature) and Tsr (high annealing temperature) but slowly increase in the case of Tir (low annealing temperature–strain point) and very slowly increase, being practically constant in the case of TD (dilatometric softening temperature). Comparatively to undoped phosphate glass the characteristic temperatures of Sm and Eu-doped glasses present lower values. The higher values of electrical conductance for both doped glasses, comparatively to usual soda-lime-silicate glass, indicate a slightly reduced stability against water. The viscosity measurements, showed a quasi-linear variation with temperature the mean square deviation (R2) being ranged between 0.872% and 0.996%. The viscosity of doped glasses comparatively to the undoped one is lower at the same temperature. Thermogravimetric analysis did not show notable mass change for any of doped samples. DSC curves for both rare-earth-doped phosphate glasses, as bulk and powdered samples, showed Tg values in the range 435–450 °C. Bulk samples exhibited a very weak exothermic peak at about 685 °C, while powdered samples showed two weak exothermic peaks at about 555 °C and 685 °C due to devitrification of the glasses. Using designed melting and annealing programs, the doped glasses were improved regarding bubbles and cords content and strain elimination.

Preventing atomicity violations with contracts - Sousa, Diogo G. (Universidade Nova de Lisboa, 2013)

Prospective scenarios for the adoption of CCS technologies in the Iberian Peninsula - Gouveia, João Pedro; Júlia Seixas; Labriet, Maryse; Patrícia Fortes; Gargiulo, Maurizio (Sustainable Energy Technologies and Assessments, 2013)
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Prospective system analysis of stationary battery systems under the frame of Constructive Technology Assessment - Baumann, Manuel (Enterprise and Work Innovation Studies, 2013)
The ongoing German energy transition causes a higher demand for reliable energy storage in the future. This increasing demand for sustainable, cheap, safe and efficient energy storage systems has caused a stronger public debate about the potential benefits of grid battery storage according to sustainability. This circumstance led to the preposition that there is a need for the development of a proper ex-ante assessment strategy to support technology uptake. The developed approach represents a framework for prospective system analysis (PSA) using the heuristics of constructive technology assessment to identify consequences, application possibilities or threats in the technological trajectory of grid battery storage. Within this framework PSA is used to quantitatively assess economic, environmental and social aspects along the entire life cycle of electrochemical energy storage technologies in order to identify hotspots according to sustainability. The Analytic Hierarchic Process (AHP) supports multiple methods in data collection and enables the analyst to combine results from PSA with qualitative actor notions about technology according to the “world” where it is embodied. In this sense AHP enables to achieve an optimum construct of technology from a stakeholder view point. The developed approach represents an efficient research strategy to shape technology in a sustainable way in frame of „Responsible Research and Innovation“.
Based on the report for the unit “Project IV” of the PhD programme on Technology Assessment under the supervision of Dr.-Ing. Marcel Weil and Prof. Dr. António Brandão Moniz. The report was presented and discussed at the Doctorate Conference on Technologogy Assessment in July 2013 at the University Nova Lisboa, Caparica campus.

Protective role of the inflammatory CCR2/CCL2 chemokine pathway through recruitment of type 1 cytotoxic γδ T lymphocytes to tumor beds - Lanca, T; Costa, M F; Goncalves-Sousa, N; Rei, M; Ana Rita Grosso; Penido, C; Silva-Santos, B (J Immunol, 2013)
Tumor-infiltrating lymphocytes (TILs) are important prognostic factors in cancer progression and key players in cancer immunotherapy. Although γδ T lymphocytes can target a diversity of tumor cell types, their clinical manipulation is hampered by our limited knowledge of the molecular cues that determine γδ T cell migration toward tumors in vivo. In this study we set out to identify the chemotactic signals that orchestrate tumor infiltration by γδ T cells. We have used the preclinical transplantable B16 melanoma model to profile chemokines in tumor lesions and assess their impact on γδ TIL recruitment in vivo. We show that the inflammatory chemokine CCL2 and its receptor CCR2 are necessary for the accumulation of γδ TILs in B16 lesions, where they produce IFN-γ and display potent cytotoxic functions. Moreover, CCL2 directed γδ T cell migration in vitro toward tumor extracts, which was abrogated by anti-CCL2 neutralizing Abs. Strikingly, the lack of γδ TILs in TCRδ-deficient but also in CCR2-deficient mice enhanced tumor growth in vivo, thus revealing an unanticipated protective role for CCR2/CCL2 through the recruitment of γδ T cells. Importantly, we demonstrate that human Vδ1 T cells, but not their Vδ2 counterparts, express CCR2 and migrate to CCL2, whose expression is strongly deregulated in multiple human tumors of diverse origin, such as lung, prostate, liver, or breast cancer. This work identifies a novel protective role for CCL2/CCR2 in the tumor microenvironment, while opening new perspectives for modulation of human Vδ1 T cells in cancer immunotherapy.
Keywords: Animals; Antigen; CCR2/*immunology; Chemokine CCL2/*immunology; Cytotoxic/*immunology; Experimental/*immunology; Female; Flow Cytometry; gamma-delta/immunology; Humans; Inbred C57BL; Inflammation/immunology; Lymphocytes; Mice; Neoplasms; Real-Time Polymerase Chain Reaction; Receptors; Signal Transduction/immunology; T-Cell; T-Lymphocyte Subsets/immunology; T-Lymphocytes; Tumor Microenvironment/immunology; Tumor-Infiltrating/*immunology

Rearrangement of Mo-Cu-S Cluster Reflects the Structural Instability of Orange Protein Cofactor - B.K. Maiti; T. Avilés; Carepo, M. S.; Moura, I.; Pauleta S.R.; Moura, J. J. G. (Z Anorg Allg Chem, 2013)

Recyclable, Flexible, Low-Power Oxide Electronics - Martins; Ahnood, Arman,; Correia, Nuno,; Pereira; Barros, R.,; Barquinha; Costa; Ferreira; Nathan, Arokia,; Elvira Fortunato (Advanced Functional Materials, 2013)

REGENERAÇÃO DA CIDADE ATRAVÉS DO PROCESSO DE REABILITAÇÃO DO PATRIMÓNIO EDIFICADO Regeneration of the city trough the process of rehabilitation of built heritage - Amado, Miguel P.; Almeida, Helder; Ribeiro, Rosário; Gameiro, António P. (2º Congresso Internacional da habitação no Espaço Lusófono, 2013)

Replicação Parcial com Memória Transacional Distribuída - João A. Silva; Vale, Tiago M.; João M. Lourenço; Hervé Paulino (Proceedings of INForum Simpósio de Informática, 2013)
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Role of a disperse carbon interlayer on the performances of tandem a-Si solar cells - Araújo, Andreia; Barros, Raquel; Mateus, Tiago; Gaspar, Diana; Nuno Neves; Vicente, António; Sergej A Filonovich; Barquinha, Pedro; Elvira Fortunato; Ana M Ferraria; Ana M Botelho do Rego; Bicho, Ana; et al. (Science and Technology of Advanced Materials, 2013)

Role of Met58 in the regulation of electron/proton transfer in trihaem cytochrome PpcA from Geobacter sulfurreducens - Leonor Morgado; Joana M Dantas; Telma Simões; Londer, Yuri Y.; Pokkuluri, P.R.; Salgueiro, , Carlos A. (Bioscience Reports, 2013)
The bacterium Gs (Geobacter sulfurreducens) is capable of oxidizing a large variety of compounds relaying electrons out of the cytoplasm and across the membranes in a process designated as extracellular electron transfer. The trihaem cytochrome PpcA is highly abundant in Gs and is most probably the reservoir of electrons destined for the outer surface. In addition to its role in electron transfer pathways, we have previously shown that this protein could perform e-/H+ energy transduction. This mechanism is achieved by selecting the specific redox states that the protein can access during the redox cycle and might be related to the formation of proton electrochemical potential gradient across the periplasmic membrane. The regulatory role of haem III in the functional mechanism of PpcA was probed by replacing Met58, a residue that controls the solvent accessibility of haem III, with serine, aspartic acid, asparagine or lysine. The data obtained from the mutants showed that the preferred e-/H+ transfer pathway observed for PpcA is strongly dependent on the reduction potential of haem III. It is striking to note that one residue can fine tune the redox states that can be accessed by the trihaem cytochrome enough to alter the functional pathways.

Solar Urban Planning to EU 20-20-20 Targets - Amado, Miguel; Rodrigues, Pedro; Poggi, Francesca; Freitas, João (Portugal SB 13 - CONTRIBUTION OF SUSTAINABLE BUILDING TO MEET EU 20-20-20 TARGETS, 2013)

Solid-Solid Transformation in Racemic Ibuprofen - Dudognon, E.; N. T. Correia; Danède, F.; M. Descamps (Pharmaceutical Research, 2013)

Solution structure of a mutant of the triheme cytochrome PpcA from Geobacter sulfurreducens sheds light on the role of the conserved aromatic residue F15 - Joana M Dantas; Leonor Morgado; Pokkuluri, P.R.; Turner, David L.; Salgueiro, , Carlos A. (Biochimica et Biophysica Acta (BBA) - Bioenergetics, 2013)
Extracellular electron transfer is one of the physiological hallmarks of Geobacteraceae. Most of the Geobacter species encode for more than 100 c-type cytochromes which are, in general, poorly conserved between individual species. An exception to this is the PpcA family of periplasmic triheme c-type cytochromes, which are the most abundant proteins in these bacteria. The functional characterization of PpcA showed that it has the necessary properties to couple electron/proton transfer, a fundamental step for ATP synthesis. The detailed thermodynamic characterization of a PpcA mutant, in which the strictly conserved residue phenylalanine 15 was replaced by leucine, showed that the global redox network of cooperativities among heme groups is altered, preventing the mutant from performing a concerted electron/proton transfer. In this work, we determined the solution structure of PpcA F15L mutant in the fully reduced state using NMR spectroscopy by producing 15N-labeled protein. In addition, pH-dependent conformational changes were mapped onto the structure. The mutant structure obtained is well defined, with an average pairwise root-mean-square deviation of 0.36 Å for the backbone atoms and 1.14 Å for all heavy atoms. Comparison between the mutant and wild-type structures elucidated the contribution of phenylalanine 15 in the modulation of the functional properties of PpcA.

Stimuli‐Responsive magnetic nanoparticles for monoclonal antibody purification - Luís Borlido; Leila Moura; Ana M Azevedo; Roque, Ana C A; Maria R Aires‐Barros; José Paulo S Farinha (Biotechnology Journal, 2013)
Monoclonal antibodies (mAbs) are important therapeutic proteins. One of the challenges facing large-scale production of monoclonal antibodies is the capacity bottleneck in downstream processing, which can be circumvented by using magnetic stimuli-responsive polymer nanoparticles. In this work, stimuli-responsive magnetic particles composed of a magnetic poly(methyl methacrylate) core with a poly(N-isopropylacrylamide-co-acrylic acid) (P(NIPAM-co-AA)) shell cross-linked with N, N'-methylenebisacrylamide were prepared by miniemulsion polymerization. The particles were shown to have an average hydrodynamic diameter of 317 nm at 18°C, which decreased to 277 nm at 41°C due to the collapse of the thermo-responsive shell. The particles were superparamagnetic in behavior and exhibited a saturation magnetization of 12.6 emu/g. Subsequently, we evaluated the potential of these negatively charged stimuli-responsive magnetic particles in the purification of a monoclonal antibody from a diafiltered CHO cell culture supernatant by cation exchange. The adsorption of antibodies onto P(NIPAM-co-AA)-coated nanoparticles was highly selective and allowed for the recovery of approximately 94% of the mAb. Different elution strategies were employed providing highly pure mAb fractions with host cell protein (HCP) removal greater than 98%. By exploring the stimuli-responsive properties of the particles, shorter magnetic separation times were possible without significant differences in product yield and purity.

Strongly Photosensitive and Fluorescent F8T2 Electrospun Fibers - Ferreira, Isabel; Baptista, Ana Catarina; Leitão, Joaquim Pratas; Soares, Jorge; Elvira Fortunato; Rodrigo Martins; Borges, João Paulo (Macromol Mater Eng, 2013)
Electrospun fibers of poly[(9,9-dioctylfluorenyl-2,7-diyl)-co-bithiophene] (F8T2) with exceptional electro-optical performance are obtained. The I/T characteristics measured in fibers with 7–15 µm diameter and 1 mm length show a semiconductor behavior; their thermal activation energy is 0.5 eV and the dark conductivity at RT is 5 × 10−9 (Ω cm)−1. Besides exhibiting a photosensitivity of about 60 under white light illumination with a light power intensity of 25 mW · cm−2, the fibers also attain RT photoluminescence in the cyan, yellow, and red wavelength range under ultraviolet, blue, and green light excitation, respectively. Optical microscope images of F8T2 reveal homogeneous electrospun fibers, which are in good agreement with the uniformly radial fluorescence observed.

Study and Characterization of a Novel Polymer Electrolyte Based on Agar Doped with Magnesium Triflate - Alves, C,; Rodrigues, L. C.,; Andrade, J. R.,; Pawlicka, A.,; Pereira; Martins; Fortunato; Silva, M. M. (Molecular Crystals and Liquid Crystals, 2013)

The sulfur-shift: an activation mechanism for periplasmic nitrate reductase and formate dehydrogenase - Cerqueira, N.; Fernandes, P.; González, P.; Moura, J. J. G.; Ramos, M. J. (Inorg Chem, 2013)

Superoxide reductase: different interaction modes with its two redox partners - Almeida, R.A.; Turano, P.; Moura, I.; Moura, J. J. G.; Pauleta, S. R. (ChemBioChem, 2013)

Sustainable Construction: Value of Certification - Amado, Miguel; Lucas, Vanessa; Ribeiro, Maria (Proc. of the Intl. Conf. on Advances in Civil, Structural and Environmental Engineering-- ACSEE 2013, 2013)

SUSTAINABLE CONSTRUCTION: WATER USE IN RESIDENTIAL BUILDINGS IN PORTUGAL - Amado, Miguel P.,; Barroso, Luís (International Journal of Sustainable Construction Engineering & Technology, 2013)

SUSTENTABILIDADE DA CONSTRUÇÃO DE HABITAÇÃO SOCIAL COM RECURSO A LSF Sustainability of Construction of Social Habitation with LSF - Geraldes, Inês; Amado, Miguel P. (2º Congresso Internacional da habitação no Espaço Lusófono, 2013)

Thioridazine induces major changes in global gene expression and cell wall composition in methicillin-resistant Staphylococcus aureus USA300 - M. Thorsing; J. K. Klitgaard; M. L. Atilano; M. N. Skov; H. J. Kolmos; S. R. Filipe; B. H. Kallipolitis (PLoS One, 2013)

Top-down and bottom-up modelling to support low-carbon scenarios: climate policy implications - Fortes, Patricia; Simões, Sofia; Júlia Seixas; Regemorter, Denise Van; Ferreira, Francisco (Climate Policy, 2013)
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Transparent Current Mirrors With a-GIZO TFTs: Neural Modeling, Simulation and Fabrication - Bahubalindruni, Ganga,; Tavares, Vitor Grade,; Barquinha; Duarte, Candido,; de Oliveira, Pedro Guedes,; Martins; Elvira Fortunato (Journal of Display Technology, 2013)

The Type Discipline of Behavioral Separation - Luís Caires; João Costa Seco (Proceedings of the 40th Symposium on Principles of Programming Languages (POPL), 2013)
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.
to appear

The use of rheology in the study of the composition effects on the fresh behaviour of hydraulic lime grouts for injection of masonry walls - Luis G. Baltazar; Fernando M.A. Henriques; Fernando Jorne; Maria Teresa Cidade (Rheologica Acta, 2013)

Walkability as a Strategy towards Inclusive Communities: Case of a Portuguese Small Town - Amado, Miguel; Freitas, João; Rodrigues, Eveline; Ribeiro, Rosario (International Journal of Civil, Architectural Science and Engineering, 2013)

{A constructive technology assessment of stationary energy storage systems: prospective life cycle orientated analysis} - Baumann, Manuel (Universidade Nova de Lisboa, IET/CICS.NOVA-Interdisciplinary Centre on Social Sciences, Faculty of Science and Technology, 2013)
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
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Keywords: Constructive Te; electric energy; energy storage technologies; Life Cycle Analysis; renewable energy

1H NMR relaxometry, viscometry, and PFG NMR studies of magnetic and nonmagnetic ionic liquids - Daniel, C. I.; Chavez, F. V.; Feio, G.; Portugal, C. A.; Crespo, J. G.; Sebastiao, P. J. (J Phys Chem B, 2013)
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.
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Development of antimicrobial Ion Jelly fibers - Santos, Renato dos; Rocha, Angelo; Matias, Ana; Duarte, Catarina; Isabel de Sá-Nogueira; Lourenco, Nuno; Borges, Joao Paulo; Vidinha, Pedro (RSC Adv., 2013)
We report a method to obtain electrospun fibers based on ionic liquids and gelatin, exhibiting antimicrobial properties.
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beta-Functionalized zinc(II)aminoporphyrins by direct catalytic hydrogenation - Lipinska, Monika E.; Teixeira, Dalila M. D.; Laia, Cesar A. T.; Silva, Ana M. G.; Rebelo, Susana L. H.; Freire, Cristina (Tetrahedron Letters, 2013)
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Times Cited: 1 Laia, Cesar/C-8651-2011; Rebelo, Susana/B-8324-2012; Silva, Ana/D-9088-2013; Freire, Cristina/F-4775-2010; Caparica, cqfb_staff/H-2611-2013; REQUIMTE, AL/H-9106-2013; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, MAT/M-4540-2013; REQUIMTE, FMN/M-5611-2013; REQUIMTE, NSF/N-1636-2013; REQUIMTE, UCIBIO/N-9846-2013; REQUIMTE, LAQV/N-9835-2013 Laia, Cesar/0000-0001-6410-6072; Silva, Ana/0000-0003-0393-1655; Freire, Cristina/0000-0003-1753-8678; 1

Binding analysis between l-histidine immobilized and oligonucleotides by SPR and NMR - Cruz, Carla; Sandra D. Santos; Cabrita, Eurico J.; João A. Queiroz (International Journal of Biological Macromolecules, 2013)
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.
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Catalytic applications of a versatile magnetically separable Fe-Mo (Nanocat-Fe-Mo) nanocatalyst - Gawande, Manoj B; Branco, Paula S.; Nogueira, Isabel D.; Ghumman, C. Amjad A.; Bundaleski, Nenad; Santos, Aderito; Teodoro, Orlando M N D; Luque, Rafael (GREEN CHEMISTRY, 2013)
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Characterization of a versatile organometallic pro-drug (CORM) for experimental CO based therapeutics - Seixas, Joao D.; Mukhopadhyay, Abhik; Santos-Silva, Teresa; Otterbein, Leo E.; Gallo, David J.; Rodrigues, Sandra S.; Guerreiro, Bruno H.; Goncalves, Ana M. L.; Penacho, Nuno; Marques, Ana R.; Coelho, Ana C.; Reis, Patricia M.; et al. (Dalton Transactions, 2013)
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Times Cited: 4 Caparica, cqfb_staff/H-2611-2013; REQUIMTE, AL/H-9106-2013; Reis, Patricia/I-7422-2013; Coelho, Ana Catarina/J-3331-2013; Romao, Maria/A-4115-2013; Santos-Silva, Teresa/D-2050-2013; REQUIMTE, SMB/M-5694-2013; REQUIMTE, UCIBIO/N-9846-2013; PTMS, RNEM/C-1589-2014 Reis, Patricia/0000-0001-6320-7496; Romao, Maria/0000-0002-3004-0543; 5

Chemistry of 7,8-dihydroxy-2-(4-dimethylaminostyryl)-1-benzopyrylium. A photochromic system switching from yellow to green - Artur Moro; Diniz, Ana Marta; Vesselin Petrov; Pina, Fernando (Journal of Photochemistry and Photobiology a-Chemistry, 2013)
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Times Cited: 0 REQUIMTE, AL/H-9106-2013; Moro, Artur/C-6689-2013; Pina, Fernando/C-8161-2011; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, LAQV/N-9835-2013 Pina, Fernando/0000-0001-8529-6848; 0

Circular dichroism of anthocyanidin 3-glucoside self-aggregates - Gavara, Raquel; Vesselin Petrov; Quintas, Alexandre; Pina, Fernando (Phytochemistry, 2013)
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Times Cited: 0 Gavara, Raquel/C-6669-2013; Pina, Fernando/C-8161-2011; Caparica, cqfb_staff/H-2611-2013; REQUIMTE, AL/H-9106-2013; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, LAQV/N-9835-2013; Caparica, PTNMR/E-5112-2013 Gavara, Raquel/0000-0002-7198-9392; Pina, Fernando/0000-0001-8529-6848; 0

Detecção de MDRTB por gold-nanoprobes – uma nova abordagem tecnológica desenvolvida em Portugal - Pedro Pedrosa; Bruno Veigas; Diana Machado; João Perdigão; Isabel Portugal; Isabel Couto; Miguel Viveiros; Baptista, Pedro V (2013)
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2o Congresso Nacional de Medicina Tropical: Workshop “Multidrug-resistant tuberculosis”; 2o Congresso Nacional de Medicina Tropical ; Conference date: 20-04-2013 Through 23-04-2013

Determinants of selective group reduction in the TNT-bound xenobiotic reductase B from P. putida - Mukhopadhyay, A.; Bursakov, S. A.; Ramos, J. L.; Wittich, R. M.; Kladova, A. V.; Romao, M. J.; van Dillewijn, P.; Carvalho, A. L. (European Biophysics Journal with Biophysics Letters, 2013)
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Times Cited: 0 1 9th European-Biophysical-Societies-Association Congress Jul 13-17, 2013 Lisbon, PORTUGAL European Biophys Soc Assoc; Soc Portuguesa Biofisica 0

Early aqueous dispersion paints: Portuguese artists' use of polyvinyl acetate, 1960s-1990s - Ferreira, Joana Lia; Avila, Maria Jesus; Melo, Maria Joao; Ramos, Ana Maria (Studies in Conservation, 2013)
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Times Cited: 0 Ferreira, Joana/C-7330-2013 0

Effect of beta-cyclodextrin on the chemistry of 3 ',4 ',7-trihydroxyflavylium - Basilio, Nuno; Fernandes, Ana; de Freitas, Victor; Gago, Sandra; Pina, Fernando (New Journal of Chemistry, 2013)
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Times Cited: 1 Pina, Fernando/C-8161-2011; Basilio, Nuno/F-2389-2012; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, LAQV/N-9835-2013; de Freitas, Victor/H-7789-2013; Caparica, PTNMR/E-5112-2013 Pina, Fernando/0000-0001-8529-6848; Basilio, Nuno/0000-0002-0121-3695; 1

Emptying the beta-Cyclodextrin Cavity by Light: Photochemical Removal of the trans-Chalcone of 4 ',7-Dihydroxyflavylium - Vesselin Petrov; Stanimirov, Stanislav; Petrov, Ivan K.; Fernandes, Ana; de Freitas, Victor; Pina, Fernando (Journal of Physical Chemistry A, 2013)
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Times Cited: 0 Pina, Fernando/C-8161-2011; REQUIMTE, LAQV/N-9835-2013; de Freitas, Victor/H-7789-2013; Caparica, PTNMR/E-5112-2013 Pina, Fernando/0000-0001-8529-6848; 0

Europium Polyoxometalates Encapsulated in Silica Nanoparticles Characterization and Photoluminescence Studies - Cristina S. Neves; Granadeiro, Carlos M.; Cunha-Silva, Luis; Ananias, Duarte; Gago, Sandra; Feio, Gabriel; Carvalho, Patricia A.; Peter Eaton; Balula, Salete S.; Pereira, Eulalia (European Journal of Inorganic Chemistry, 2013)
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Times Cited: 3 Caparica, cqfb_staff/H-2611-2013; REQUIMTE, AL/H-9106-2013; Eaton, Peter/B-4906-2008; Ananias, Duarte/I-6996-2013; Granadeiro, Carlos/D-6302-2013; Feio, Gabriel /J-3695-2013; Cunha-Silva, Luis/A-8765-2012; Balula, Salete/B-7508-2012; REQUIMTE, MAT/M-4540-2013; REQUIMTE, FMN/M-5611-2013; Gago, Sandra/H-5413-2012; REQUIMTE, NSF/N-1636-2013; carvalho, patricia/C-1150-2009; REQUIMTE, UCIBIO/N-9846-2013; REQUIMTE, LAQV/N-9835-2013; Caparica, PTNMR/E-5112-2013 Eaton, Peter/0000-0003-1821-1992; Ananias, Duarte/0000-0003-4394-045X; Granadeiro, Carlos/0000-0002-0986-6607; Feio, Gabriel /0000-0003-1257-5824; Cunha-Silva, Luis/0000-0001-9229-1412; Balula, Salete/0000-0002-8984-0473; Gago, Sandra/0000-0003-0221-8508; carvalho, patricia/0000-0002-5447-0409; 3

Europium Polyoxometalates Encapsulated in Silica Nanoparticles Characterization and Photoluminescence Studies - C. S. Neves; Granadeiro, C. M.; Cunha-Silva, L.; Ananias, D.; Gago, S.; Feio, G.; Carvalho, P.A.; P. Eaton; Balula, S. S.; Pereira, E. (European Journal of Inorganic Chemistry, 2013)
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.
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Keywords: nanoparticles polyoxometalates europium silica luminescence bis(undecatungstophosphate) lanthanates luminescent catalysts spheres anion complexes alcohols hybrids drug

Europium(III) Tetrakis(beta-diketonate) Complex as an Ionic Liquid: A Calorimetric and Spectroscopic Study - Pereira, Claudia C. L.; Dias, Sofia; Coutinho, Isabel; Leal, J. P.; Branco, Luis C.; Laia, Cesar A. T. (Inorganic Chemistry, 2013)
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Times Cited: 2 Coutinho, Isabel/D-8629-2013; Laia, Cesar/C-8651-2011; Caparica, cqfb_staff/H-2611-2013; REQUIMTE, AL/H-9106-2013; Leal, Joao/C-2386-2008; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, LAQV/N-9835-2013; Caparica, PTNMR/E-5112-2013; PTMS, RNEM/C-1589-2014 Laia, Cesar/0000-0001-6410-6072; Leal, Joao/0000-0003-1235-0107; 2

First application of core-shell Ag@Ni magnetic nanocatalyst for transfer hydrogenation reactions of aromatic nitro and carbonyl compounds - Gawande, Manoj B; Guo, Huizhang; Rathi, Anuj K.; Branco, Paula S.; Chen, Yuanzhi; Varma, Rajender S.; Peng, Dong-Liang (RSC ADVANCES, 2013)
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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 - Vesselin Petrov; Gavara, Raquel; Dangles, Olivier; Al Bittar, Sheiraz; Mora-Soumille, Nathalie; Pina, Fernando (Photochemical & Photobiological Sciences, 2013)
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Times Cited: 0 Gavara, Raquel/C-6669-2013; Pina, Fernando/C-8161-2011; Caparica, cqfb_staff/H-2611-2013; REQUIMTE, AL/H-9106-2013; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, LAQV/N-9835-2013 Gavara, Raquel/0000-0002-7198-9392; Pina, Fernando/0000-0001-8529-6848; 0

From Au(I) organometallic hydrogels to well-defined Au(0) nanoparticles - Aguilo, Elisabet; Gavara, Raquel; Lima, Joao Carlos; Llorca, Jordi; Rodriguez, Laura (Journal of Materials Chemistry C, 2013)
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High ionicity ionic liquids (HIILs): comparing the effect of ethylsulfonate and ethylsulfate anions - Oliveira, F. S.; Pereiro, A. B.; Araujo, J. M.; Bernardes, C. E.; Canongia Lopes, J. N.; Todorovic, S.; Feio, G.; P. L. Almeida; Rebelo, L. P.; Marrucho, I. M. (Phys Chem Chem Phys, 2013)
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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Human-Robot Interaction in Industrial Working Environments: Results from a Start-up Project - António Moniz (EconStor Open Access Articles, 2013)
The social dimension of worker-robot interaction in industry is becoming a decisive aspect of robotics development. Many problems and difficulties of robotics research are not only related to technical issues but framed by social aspects. Human-robot interaction (HRI) as a specific research field of robotics tackles this issue. The debate on social involvement in HRI design of a few decades ago must be re-opened. A start-up project was initiated in 2012 at Karlsruhe Institute of Technology (KIT) to define a new research field and establish a conceptual framework on HRI. It was related to recent developments in the manufacturing industry and professional service robotics. The aim was to cooperate with other research teams to establish an expert network in this field. Special focus was placed on the design of work organisation models and issues of robotics technology design for worker (or operator) and robot interaction. In the current paper we present the most important conclusions from these research activities. –
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Keywords: industry; organisation models; worker-robot interaction

Identification of Crucial Amino Acids in Mouse Aldehyde Oxidase 3 That Determine Substrate Specificity - Mahro, Martin; Bras, Natercia F.; Cerqueira, Nuno M. F. S. A.; Teutloff, Christian; Coelho, Catarina; Romao, Maria Joao; Leimkuehler, Silke (Plos One, 2013)
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Times Cited: 0 Romao, Maria/A-4115-2013 Romao, Maria/0000-0002-3004-0543 0

Induced peroxidase activity of haem containing nitrate reductases revealed by protein film electrochemistry - Coelho, Catarina; Marangon, Jacopo; Rodrigues, David; Moura, Jose J. G.; Romao, Maria Joao; Paes de Sousa, Patricia M.; Correia dos Santos, Margarida M. (Journal of Electroanalytical Chemistry, 2013)
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Times Cited: 2 Caparica, cqfb_staff/H-2611-2013; REQUIMTE, AL/H-9106-2013; Romao, Maria/A-4115-2013; dos Santos, Margarida/H-7897-2012; REQUIMTE, SMB/M-5694-2013; REQUIMTE, UCIBIO/N-9846-2013 Romao, Maria/0000-0002-3004-0543; dos Santos, Margarida/0000-0001-7531-757X; 2

Interaction of vanadium(IV) with human serum apo-transferrin - Mehtab, Sameena; Goncalves, Gisela; Roy, Somnath; Tomaz, Ana Isabel; Santos-Silva, Teresa; Santos, Marino F. A.; Romao, Maria J.; Jakusch, Tamas; Kiss, Tamas; Pessoa, Joao Costa (Journal of Inorganic Biochemistry, 2013)
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Times Cited: 7 Romao, Maria/A-4115-2013; Roy, Dr. Somnath/F-6257-2012; Caparica, cqfb_staff/H-2611-2013; REQUIMTE, AL/H-9106-2013; Tomaz, Ana Isabel/D-6988-2012; Santos-Silva, Teresa/D-2050-2013; REQUIMTE, SMB/M-5694-2013; Costa Pessoa, Joao/H-9078-2012; REQUIMTE, UCIBIO/N-9846-2013 Romao, Maria/0000-0002-3004-0543; Roy, Dr. Somnath/0000-0002-0031-606X; Tomaz, Ana Isabel/0000-0002-2249-4684; Costa Pessoa, Joao/0000-0002-3978-9964; 7

Intrinsically electrochromic ionic liquids based on vanadium oxides: illustrating liquid electrochromic cells - Branco, Aida; Belchior, Joao; Branco, Luis C.; Pina, Fernando (Rsc Advances, 2013)
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Times Cited: 0 0

IZO deposition by RF and DC sputtering on paper and application on flexible electrochromic devices - Gomes, Lucia; Marques, Ana; Branco, Aida; Araujo, Jorge; Simoes, Mario; Cardoso, Susana; Silva, Fernando; Henriques, Ines; Laia, Cesar A. T.; Costa, Claudia (Displays, 2013)
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Times Cited: 0 Cardoso, Susana/B-6199-2013 Cardoso, Susana/0000-0001-6913-6529 0

Kinetic and Structural Studies of Aldehyde Oxidoreductase from Desulfovibrio gigas Reveal a Dithiolene-Based Chemistry for Enzyme Activation and Inhibition by H2O2 - Marangon, Jacopo; Correia, Hugo D.; Brondino, Carlos D.; Moura, Jose J. G.; Romao, Maria J.; Gonzalez, Pablo J.; Santos-Silva, Teresa (Plos One, 2013)
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Times Cited: 0 Romao, Maria/A-4115-2013 Romao, Maria/0000-0002-3004-0543 0

A luminescent hydrogel based on a new Au(I) complex - Gavara, Raquel; Llorca, Jordi; Lima, Joao Carlos; Rodriguez, Laura (Chemical Communications, 2013)
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Luminescent zinc salophen derivatives: cytotoxicity assessment and action mechanism studies - Brissos, Rosa; Ramos, David; Lima, Joao Carlos; Mihan, Francesco Yafteh; Borras, Miquel; de Lapuente, Joaquin; Dalla Cort, Antonella; Rodriguez, Laura (New Journal of Chemistry, 2013)
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Magnetically recyclable magnetite-ceria (Nanocat-Fe-Ce) nanocatalyst - applications in multicomponent reactions under benign conditions - Gawande, Manoj B; Bonifacio, Vasco D. B.; Varma, Rajender S.; Nogueira, Isabel D.; Bundaleski, Nenad; Ghumman, C. Amjad A.; Teodoro, Orlando M N D; Branco, Paula S. (GREEN CHEMISTRY, 2013)
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Nano-MgO-ZrO2 mixed metal oxides: characterization by SIMS and application in the reduction of carbonyl compounds and in multicomponent reactions - Gawande, Manoj B; Rathi, Anuj K.; Branco, Paula S.; T. M. Potewar; Velhinho, Alexandre; Nogueira, Isabel D.; Tolstogouzov, Alexander; Ghumman, C. Amjad A.; Teodoro, Orlando M N D (RSC ADVANCES, 2013)
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Nanomaterials for reversion of multidrug resistance in cancer: a new hope for an old idea? - João Conde; {de la Fuente}, Jesus M.; Baptista, Pedro Viana (Frontiers in Pharmacology, 2013)
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Keywords: Cancer; Drug delivery; Multidrug resistance; Nanomaterials; nanoparticles; siRNAs

Nanoparticle drug delivery systems: Recent patents and applications in nanomedicine - Pedro Martins; Daniela Rosa; Fernandes, Alexandra R; Baptista, Pedro V (Recent Patents on Nanomedicine, 2013)
Traditional methods of drug delivery present several drawbacks, mainly due to off-target effects that may originate severe side and toxic effect to healthy tissues. Parallel to the development of novel more effective drugs, particular effort has been dedicated to develop and optimize drug delivery vehicles capable of specifically targeting the required tissue/organ and to deliver the cargo only where and when it is needed. New drug delivery systems based on nanoscale devices showing new and improved pharmacokinetic and pharmacodynamics properties like enhanced bioavailability, high drug loading or systemic stability have surged in the past decade as promising solutions to the required therapeutic efficacy. Amongst these nanoscale vectors, nanoparticles for drug delivery, such as polymeric, lipidbased, ceramic or metallic nanoparticles, have been at the forefront of pharmaceutical development. The interest in nanomedicine for treatment and diagnosis is clearly reflected on the increasing number of publications and issued patents every year. Here, we provide a broad overview of novel nanoparticle based drug delivery systems, ranging from polymeric systems to metal nanoparticles, while simultaneously listing the most relevant related patents.
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Keywords: Cancer; Drug Carriers; Drug delivery; drug targeting; Nanomedicine; nanoparticles; nanotechnology; Patents

Nanotechnology for cancer diagnostics and therapy - an update on novel molecular players - Fernandes, Alexandra R; Baptista, Pedro Viana (Current Cancer Therapy Reviews, 2013)
Nanotechnology has emerged as a {"}disruptive technology{"} that may provide researchers with new and innovative ways to diagnose, treat and monitor cancer. In fact, nanomedicine approaches have delivered several strategies, such as new imaging agents, real-time assessments of therapeutic and surgical efficacy, multifunctional, targeted devices capable of bypassing biological barriers to target and silence specific pathways in tumours. Of particular interest, has been the increased capability to deliver multiple therapeutic agents directly to bulk cancer cells and cancer stem cells that play a critical role in cancer growth and metastasis. These multifunctional targeted nanoconjugates are also capable of avoiding cancer resistance and monitor predictive molecular changes that open the path for preventive action against pre-cancerous cells, minimizing costs and incidence of relapses. A myriad of nanoconjugates with effective silencing and site-targeting moieties can be developed by incorporating a diverse selection of targeting, diagnostic, and therapeutic components. A discussion of the integrative effort of nanotechnology systems with recent developments of biomolecular interactions in cancer progression is clearly required. Here, we will update the state of the art related to the development and applications of nanoscale platforms and novel biomolecular players in cancer diagnosis, imaging and treatment.
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Keywords: Cancer; cancer therapy; imaging; Molecular diagnostics; Nanoimmunochemotherapy; nanoparticles; Nanosensors; nanotechnology; SERS

Nondestructive Characterization and Enzyme Cleaning of Painted Surfaces: Assessment from the Macro to Nano Level - Pereira, Catarina; Tito Busani; Branco, Luis C.; Joosten, Ineke; Anca Sandu, Irina Crina (Microscopy and Microanalysis, 2013)
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Times Cited: 0 0

Observation of 2p3 d (1Po)→ 1s3d (1De) Radiative Transition in He-like Si, S, and Cl Ions - Kasthurirangan, S; Saha, J. K.; Agnihotri, A. N.; Bhattacharyya, S; Misra, D; Kumar, A; Mukherjee, P K; Santos, J. P.; Costa, A M; Indelicato, P.; Mukherjee, T K; Tribedi, L C (Physical Review Letters, 2013)
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Ochres and earths: Matrix and chromophores characterization of 19th and 20th century artist materials - Montagner, Cristina; Sanches, Diogo; Pedroso, Joana; Melo, Maria Joao; Vilarigues, Marcia (Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy, 2013)
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Times Cited: 0 Melo, Maria Joao/C-8594-2011; Caparica, cqfb_staff/H-2611-2013; REQUIMTE, AL/H-9106-2013; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, LAQV/N-9835-2013 Melo, Maria Joao/0000-0001-7393-6801; 0

On the photostationary state of the flavylium network of chemical reactions - Pina, Fernando; Gomes, Raquel; Basilio, Nuno; Laia, Cesar A. T. (Journal of Photochemistry and Photobiology a-Chemistry, 2013)
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Times Cited: 0 Pina, Fernando/C-8161-2011; Basilio, Nuno/F-2389-2012; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, LAQV/N-9835-2013 Pina, Fernando/0000-0001-8529-6848; Basilio, Nuno/0000-0002-0121-3695; 0

Overexpression, crystallization and preliminary X-ray crystallographic analysis of glucuronoxylan xylanohydrolase (Xyn30A) from Clostridium thermocellum - Verma, Anil Kumar; Goyal, Arun; Freire, Filipe; Bule, Pedro; Venditto, Immacolata; Bras, Joana L. A.; Santos, Helena; Cardoso, Vania; Bonifacio, Cecilia; Thompson, Andrew; Romao, Maria Joao; Prates, Jose A. M.; et al. (Acta Crystallographica Section F-Structural Biology and Crystallization Communications, 2013)
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Times Cited: 0 Prates, Jose/K-9934-2013; Romao, Maria/A-4115-2013 Prates, Jose/0000-0003-1032-5987; Romao, Maria/0000-0002-3004-0543 12 0

Photochromism of flavylium systems. An overview of a versatile multistate system (vol 92, pg 877, 2012) - Pina, Fernando; Vesselin Petrov; Laia, Cesar A. T. (Dyes and Pigments, 2013)
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Times Cited: 0 Laia, Cesar/C-8651-2011; Pina, Fernando/C-8161-2011; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, LAQV/N-9835-2013 Laia, Cesar/0000-0001-6410-6072; Pina, Fernando/0000-0001-8529-6848; 0

Photoinduced reactions occurring on activated carbons. A combined photooxidation and ESR study - Velasco, Leticia F.; Maurino, Valter; Laurenti, Enzo; Fonseca, Isabel M.; Lima, Joao C.; Ania, Conchi O. (Applied Catalysis a-General, 2013)
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Protein destabilisation in ionic liquids: the role of preferential interactions in denaturation - Angelo Miguel Figueiredo; Sardinha, João; Moore, Geoffrey R.; Cabrita, Eurico J. (Phys. Chem. Chem. Phys., 2013)
The preferential binding of anions and cations in aqueous solutions of the ionic liquids (ILs) 1-butyl- 3-methylimidazolium ([C4mim]+) and 1-ethyl-3-methylimidazolium ([C2mim]+) chloride and dicyanamide (dca-) with the small alpha-helical protein Im7 was investigated using a combination of differential scanning calorimetry, NMR spectroscopy and molecular dynamics (MD) simulations. Our results show that direct ion interactions are crucial to understand the effects of ILs on the stability of proteins and that an anion effect is dominant. We show that the binding of weakly hydrated anions to positively charged or polar residues leads to the partial dehydration of the backbone groups, and is critical to control stability, explaining why dca- is more denaturing than Cl-. Direct cation–protein interactions also mediate stability; cation size and hydrophobicity are relevant to account for destabilisation as shown by the effect of [C4mim]+ compared to [C2mim]+. The specificity in the interaction of IL ions with protein residues established by weak favourable interactions is confirmed by NMR chemical shift perturbation, amide hydrogen exchange data and MD simulations. Differences in specificity are due to the balance of interaction established between ion pairs and ion-solvent that determine the type of residues affected. When the interaction of both cation and anion with the protein is strong the net result is similar to a non-specific interaction, leading ultimately to unfolding. Since the nature of the ions is a determinant of the level of interaction with the protein towards denaturation or stabilisation, ILs offer a unique possibility to modulate protein stabilisation or even folding events.
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Reference free, high-precision measurements of transition energies in few electron argon ions - Szabo, Csilla I; Amaro, Pedro; Guerra, Mauro; Schlesser, Sophie; Gumberidze, Alexander; Santos, Jose Paulo; Indelicato, Paul (AIP Conf. Proc., 2013)
The use of a vacuum double crystal spectrometer, coupled to an electron-cyclotron resonance ion source (ECRIS), allows to measure low-energy x-ray transitions energies in highly-charged ions with accuracies of the order of a few parts per million. We have used this installation to measure the 1s2p 1 P1 - 1s2 1 S0 diagram line and the 1s2s 3 S1 - 1s2 1 S0 forbidden M1 transition energies in helium-like argon, the 1s2s2p 2 P j 1s2 2s 2 S1/2 transitions in lithium-like argon and the 1s2s2 2p 1 P1 - 1s2 2s2 1 S0 transition in beryllium-like argon. These transition measurements have accuracies between 2 and 4 ppm depending on the line intensity. Thanks to the excellent agreement between the simulations and the measurements, we were also able to measure the transition width of all the allowed transitions. The results are compared to recent QED and relativistic many-body calculations.
journal = AIP Conference Proceedings

Relaxivities of magnetoliposomes: the effect of cholesterol - Carvalho, A.; Goncalves, M. C.; Martins, M. B.; Meixedo, D.; Feio, G. (Magn Reson Imaging, 2013)
We present relaxivities measurements for both the longitudinal and transverse relaxations of two types of liposomes loaded with ultra small superparamagnetic iron oxide nanoparticles. The magnetoliposome systems presented are soybean phosphatidylcholine liposomes, with and without cholesterol, in the phospholipid bilayer with different molar ratios lipid:cholesterol. In fact, cholesterol is needed to obtain stable liposomes for intravenous administration. The longitudinal and transverse relaxivities were measured with a NMR spectrometer in a 7T magnetic field. For the studied concentrations, the liposomes show a negligible effect on the longitudinal relaxation time T1 of the medium, but they are very efficient on decreasing the transverse relaxation time T2, the behaviour one expects for a negative CA. We observed a lower transverse relaxivity for the magnetoliposome nanosystem with cholesterol, which strongly decreases with the cholesterol content in the liposome bilayer.
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Keywords: Cholesterol/*chemistry Contrast Media/*chemistry Dextrans/*chemistry Electric Conductivity Liposomes/*chemistry Magnetic Fields Magnetite Nanoparticles/*chemistry Materials Testing

Shaping the molecular assemblies of native and alkali- modified agars in dilute and concentrated aqueous media via microwave-assisted extraction - Ana M. M. Sousa; Borges, João; Silva, Fernando; Ramos, Ana M.; Cabrita, Eurico J.; Maria Pilar Gonçalves (Soft Matter, 2013)
The use of agar-based biomaterials for the development of emerging areas, such as tissue engineering or ‘smart materials’ production has recently gained great interest. Understanding how these gel-forming polysaccharides self-organise in aqueous media and how these associations can be tuned to meet the specific needs of each application is thus of great relevance. As an extension of previous pioneering research concerning the application of the microwave-assisted extraction (MAE) technique in the recovery of native (NA) and alkali-modified (AA) agars, this article focuses on the different molecular assemblies assumed by these novel NA and AA when using different MAE routes. The molecular architectures in dilute (5, 10, 50 and 100 mg mL1) and concentrated (1.5% (w/w)) aqueous media were imaged by AFM and cryoSEM, respectively. Relevant structural and physicochemical properties were investigated to support the microscopic data. Different extraction routes led to polysaccharides with unique properties, which in turn resulted in different molecular assemblies. Even at 5 mg mL1, AFM images included individual fibers, cyclic segments, aggregates and local networks. At higher polymer concentrations, the structures further aggregated forming multilayer polymeric networks for AA. The more compact and denser 3D networks of AA, imaged by cryoSEM, and their higher resistance to large deformations matched the 2D-shapes observed by AFM. Depending on the nature of the AA chains, homogeneous or heterogeneous growth of assemblies was seen during network formation. The obtained results support well the view of double helix formation followed by intensive double helix association proposed for agar gelation.
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Solution structure, dynamics and binding studies of a family 11 carbohydrate-binding module from Clostridium thermocellum (CtCBM11) - Viegas, Aldino; Sardinha, Joao; Freire, Filipe; Duarte, Daniel F.; Carvalho, Ana L.; Fontes, Carlos M. G. A.; Romao, Maria J.; Macedo, Anjos L.; Cabrita, Eurico J. (Biochemical Journal, 2013)
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Times Cited: 1 Viegas, Aldino/A-1889-2011; Caparica, cqfb_staff/H-2611-2013; REQUIMTE, AL/H-9106-2013; Romao, Maria/A-4115-2013; Cabrita, Eurico/E-8053-2011; Carvalho, Ana Luisa/G-5638-2011; REQUIMTE, SMB/M-5694-2013; REQUIMTE, UCIBIO/N-9846-2013; Caparica, PTNMR/E-5112-2013 Viegas, Aldino/0000-0003-1733-136X; Romao, Maria/0000-0002-3004-0543; Cabrita, Eurico/0000-0002-0720-2751; Carvalho, Ana Luisa/0000-0002-3824-0240; 2 1

Solution Structure, Dynamics and Binding Studies of a Family 11 Carbohydrate-Binding Module from Clostridium thermocellum (CtCBM11) - Viegas, Aldino; Sardinha, João; Duarte, Daniel F.; Carvalho, Ana Luisa; Fontes, Carlos M. G. A.; Romao, Maria Joao; Macedo, Anjos L.; Cabrita, Eurico J. (Biochemical Journal, 2013)
Non-catalytic cellulosomal carbohydrate-binding modules (CBMs) are responsible for increasing the catalytic efficiency of cellulosic enzymes by selectively putting the substrate (a wide range of poly- and oligosaccharides) and enzyme into close contact. In the present work we carried out an atomistic rationalization of the molecular determinants of ligand specificity of a family 11 CBM from thermophilic C. thermocellum (CtCBM11), based on a NMR and molecular modeling approach. We have determined the NMR solution structure of CtCBM11 at 25 and 50 ºC and derived information on the residues of the protein involved in ligand recognition and on the influence of the length of the saccharide chain on binding. We obtained models of the CtCBM11/cellohexaose and CtCBM11/cellotetraose complexes by docking in accordance with the NMR experimental data. Specific ligand/protein CH-π and Van der Waals interactions were found to be determinant for the stability of the complexes and for defining specificity. Using the order parameters derived from backbone dynamics analysis in the presence and absence of ligand and at 25 and 50 ºC, we determined that the protein’s backbone conformational entropy is slightly positive. This data in combination with the negative binding entropy calculated from ITC studies supports a selection mechanism where a rigid protein selects a defined oligosaccharide conformation.
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Solvation of carbon dioxide in [C4 mim][BF(4)] and [C(4) mim][PF(6)] ionic liquids revealed by high-pressure NMR spectroscopy - Corvo, Mc; Sardinha, J.; Menezes, S. C.; Einloft, S.; Seferin, M.; Dupont, J.; T. Casimiro; E. J. Cabrita (Angew Chem Int Ed Engl, 2013)
Where is CO2 ? The intermolecular interactions of [C4 mim]BF4 and [C4 mim]PF6 ionic liquids and CO2 have been determined by high-pressure NMR spectroscopy in combination with molecular dynamic simulations. The anion and the cation are both engaged in interactions with CO2 . A detailed picture of CO2 solvation in these ILs is provided. CO2 solubility is essentially determined by the microscopic structure of the IL.
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Keywords: CO2 sequestration NMR spectroscopy ionic liquids molecular dynamics

Solvation of Carbon Dioxide in [C4mim][BF4] and [C4mim][PF6] Ionic Liquids Revealed by High-Pressure NMR Spectroscopy - Corvo, Marta C.; Sardinha, João; Menezes, Sonia C.; Einloft, Sandra; Seferin, Marcus; Dupont, Jairton; Casimiro, Teresa; Cabrita, Eurico J. (Angewandte Chemie International Edition, 2013)
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Solvation of CO2 in [C4mim][BF4] and [C4mim][PF6] ionic liquids revealed by High Pressure NMR - Corvo, Marta C.; Sardinha, João; Menezes, Sonia C.; Einloft, Sandra; Seferin, Marcus; Dupont, Jairton; Casimiro, Teresa; Cabrita, Eurico J. (Angewandte Chemie International Edition, 2013)
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The Structural Basis of the Recognition of Di-glucosylated N-glycans by the ER Lectin Malectin - Palma, Angelina S.; Pinheiro, Benedita; Liu, Yan; Takeda, Yoichi; Chai, Wengang; Ito, Yukishige; Romao, Maria Joao; Carvalho, Ana Luisa; Feizi, Ten (Glycobiology, 2013)
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Times Cited: 0 Carvalho, Ana Luisa/G-5638-2011; Romao, Maria/A-4115-2013 Carvalho, Ana Luisa/0000-0002-3824-0240; Romao, Maria/0000-0002-3004-0543 Annual Conference of the Society-for-Glycobiology Nov 17-20, 2013 St Petersburg, FL Soc Glycobiol 0

Studies of the Influence in Acetonitrile Polarity Using Imidazolium Ionic Liquids as Additives - Couto, Ricardo M.; Lourenco, Catarina; Lima, Joao C.; Simoes, Pedro C.; Branco, Luis C. (Journal of Chemical and Engineering Data, 2013)
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Study of the cohesin-dockerin interaction and its role in the C. thermocellum cellulosome assembly - Pinheiro, B. A.; Carvalho, A. L.; Romao, M. J.; Fontes, C. M. (European Biophysics Journal with Biophysics Letters, 2013)
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Times Cited: 0 1 9th European-Biophysical-Societies-Association Congress Jul 13-17, 2013 Lisbon, PORTUGAL European Biophys Soc Assoc; Soc Portuguesa Biofisica 0

Substituent Effects on the Biological Properties of Zn-Salophen Complexes - Giannicchi, Ilaria; Brissos, Rosa; Ramos, David; de Lapuente, Joaquin; Lima, Joao Carlos; Dalla Cort, Antonella; Rodriguez, Laura (Inorganic Chemistry, 2013)
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Synthesis and characterization of luminescent room temperature ionic liquids based on Ru(bpy)(CN)(4)(2-) - Gago, Sandra; Cabrita, Luis; Carlos Lima, J.; Branco, Luis C.; Pina, Fernando (Dalton Transactions, 2013)
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Synthesis and characterization of magnetoliposomes for MRI contrast enhancement - Faria, M. R.; Cruz, M. M.; Goncalves, M. C.; Carvalho, A.; Feio, G.; Martins, M. B. (Int J Pharm, 2013)
This work assesses the characteristics of magnetoliposomes of soybean phosphatidylcholine (SPC):cholesterol (Chol) loaded with superparamagnetic iron oxide nanoparticles (IONPs) stabilized with tetramethylammonium hydroxide (TMAOH) and their capacity to enhance magnetic resonance imaging (MRI) contrast. Magnetoliposomes of SPC were used for comparative studies. IONPs and magnetoliposomes were characterized using transmission electron microscopy, dynamic light scattering, SQUID magnetometry, FTIR and MRI. The saturation magnetization at 10K was  0.06 Am(2)/kg for SPC:Chol magnetoliposomes with 7 g iron oxide/mol of lipid and  0.05 Am(2)/kg for SPC magnetoliposomes with 21 g iron oxide/mol of lipid. As these values are associated with the number of incorporated magnetic IONPs, the saturation magnetization is 1.2 times higher for magnetoliposomes of SPC:Chol as compared with magnetoliposomes of SPC alone. The behavior of temperature dependence in both cases is typical of superparamagnetic particles. FTIR spectra evidence the increase of magnetoliposome membrane ordering with the presence of Chol. Principal component analysis (PCA) applied to FTIR spectra evidenced a clear distinction between scores for SPC:Chol, and SPC magnetoliposomes and for SPC empty liposomes. PCA applied to FTIR data differentiate magnetoliposomes from empty liposomes. MR images of aqueous phantoms obtained with and without magnetoliposomes, clearly evidence their effect on T2 image weighting.
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Keywords: Cholesterol/*chemistry Drug Compounding Image Enhancement Liposomes/*chemistry Magnetic Resonance Imaging Magnetite Nanoparticles/*chemistry/ultrastructure Microscopy; Electron; Fourier Transform Infrared; Transmission Phosphatidylcholines/*chemistry Quaternary Ammonium Compounds/chemistry Spectroscopy

Synthesis and characterization of novel $γ$-induced porous PHEMA–IL composites - Casimiro, MH; Corvo, Mc; A. M. Ramos; E. J. Cabrita; A. M. Ramos; Ferreira, LM (Materials Chemistry and Physics, 2013)
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Synthesis and characterization of novel gamma-induced porous PHEMA-IL composites - Casimiro, MH; Corvo, Mc; A. M. Ramos; E. J. Cabrita; A. M. Ramos; Ferreira, LM (Materials Chemistry and Physics, 2013)
A novel porous polymer-ionic liquid composite with poly(2-hydroxyethyl methacrylate) (PHEMA) and 1-butyl-3-methylimidazolium hexafluorophosphate (BMIPF6) has been synthesized by gamma-irradiation without heat or chemical initiators. The products can be reversibly converted into organogels. The composites are potential candidates for electrochemical applications. The use of gamma-radiation can be a simple and versatile alternative way to obtain these materials. (C) 2012 Elsevier B.V. All rights reserved.
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Keywords: composite materials ionic liquids gamma irradiation polymers electrical conductivity radiation-induced polymerization temperature ionic liquids poly(2-hydroxyethyl methacrylate) nmr irradiation catalysis hydrogels solvents

Synthesis and characterization of novel γ-induced porous PHEMA–IL composites - Casimiro, MH; Corvo, Marta C.; A. M. Ramos; E. J. Cabrita; A. M. Ramos; Ferreira, LM (Materials Chemistry and Physics, 2013)
A novel porous polymer-ionic liquid composite with poly(2-hydroxyethyl methacrylate) (PHEMA) and 1-butyl-3-methylimidazolium hexafluorophosphate (BMIPF6) has been synthesized by γ-irradiation without heat or chemical initiators. The products can be reversibly converted into organogels. The composites are potential candidates for electrochemical applications. The use of γ-radiation can be a simple and versatile alternative way to obtain these materials.
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Synthesis of gold nanoparticles in sol-gel glass porogens containing bmim BF4 ionic liquid - Ruivo, A.; Ventura, M. G.; Gomes da Silva, M. D. R.; Laia, C. A. T. (Journal of Sol-Gel Science and Technology, 2013)
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Times Cited: 0 Gomes da Silva, Marco Diogo/D-6604-2011 Gomes da Silva, Marco Diogo/0000-0003-1761-7376 0

Thermodynamic and Kinetic Properties of a New Myrtillin-Vescalagin Hybrid Pigment - Garcia-Estevez, Ignacio; Gavara, Raquel; Alcalde-Eon, Cristina; Rivas-Gonzalo, Julian C.; Quideau, Stephane; Teresa Escribano-Bailon, M.; Pina, Fernando (Journal of Agricultural and Food Chemistry, 2013)
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Times Cited: 1 Pina, Fernando/C-8161-2011; RIVAS-GONZALO, JULIAN-CARLOS/J-9760-2013 Pina, Fernando/0000-0001-8529-6848; RIVAS-GONZALO, JULIAN-CARLOS/0000-0002-5654-335X 1

Thermodynamics and Kinetics of Cyanidin 3-Glucoside and Caffeine Copigments - Limon, Piedad M.; Gavara, Raquel; Pina, Fernando (Journal of Agricultural and Food Chemistry, 2013)
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Times Cited: 0 Caparica, cqfb_staff/H-2611-2013; Pina, Fernando/C-8161-2011; REQUIMTE, AL/H-9106-2013; REQUIMTE, PHOTO/M-4229-2013; Gavara, Raquel/C-6669-2013; REQUIMTE, LAQV/N-9835-2013 Pina, Fernando/0000-0001-8529-6848; Gavara, Raquel/0000-0002-7198-9392; 0

Thermodynamics, Kinetics, and Photochromism of Oaklins: A Recent Family of Deoxyanthocyanidins - Sousa, Andre; Vesselin Petrov; Araujo, Paula; Mateus, Nuno; Pina, Fernando; de Freitas, Victor (Journal of Physical Chemistry B, 2013)
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Times Cited: 1 Pina, Fernando/C-8161-2011; Caparica, cqfb_staff/H-2611-2013; de Freitas, Victor/H-7789-2013; REQUIMTE, AL/H-9106-2013; REQUIMTE, PHOTO/M-4229-2013; REQUIMTE, LAQV/N-9835-2013; Mateus, Nuno/F-3019-2013 Pina, Fernando/0000-0001-8529-6848; Mateus, Nuno/0000-0002-9318-9732 1

Unraveling new functions and modes of action of molybdenum-dependent enzymes - Romao, M. J. (European Biophysics Journal with Biophysics Letters, 2013)
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Times Cited: 0 1 9th European-Biophysical-Societies-Association Congress Jul 13-17, 2013 Lisbon, PORTUGAL European Biophys Soc Assoc; Soc Portuguesa Biofisica 0

Use of Organic Superbases and Temperature Effects for the Development of Reversible Protic Amino Acid Salts - Carrera, Goncalo V. S. M.; Costa, Alexandra; da Ponte, Manuel Nunes; Branco, Luis C. (Synlett, 2013)
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Times Cited: 0 Caparica, PTNMR/E-5112-2013; Carrrera, Goncalo/C-7536-2013 0

Vanadium compounds as prospective therapeutics: X-ray structure of protein adducts - Santos, M. F. A.; Oliveira, A. R.; Somnath, R.; Romao, M. J.; Pessoa, J. C.; Santos-Silva, T. (European Biophysics Journal with Biophysics Letters, 2013)
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Times Cited: 0 1 9th European-Biophysical-Societies-Association Congress Jul 13-17, 2013 Lisbon, PORTUGAL European Biophys Soc Assoc; Soc Portuguesa Biofisica 0

Water-Based Cellulose Liquid Crystal System Investigated by Rheo-NMR - Geng, Y.; P. L. Almeida; Feio, G. M.; J. L. Figueirinhas; M. H. Godinho (Macromolecules, 2013)
Water-based cellulose cholesteric liquid crystalline phases at rest can undergo structural changes induced by shear flow. This reflects on the deuterium spectra recorded when the system is investigated by rheo-nuclear magnetic resonance (rheo-NMR) techniques. In this work, the model system hydroxypropylcellulose (HPC)+water is revisited using rheo-NMR to clarify unsettled points regarding its behavior under shear and in relaxation. The NMR spectra allow the identification of five different stable ordering states, within shear and relaxation, which are well integrated in a mesoscopic picture of the system's structural evolution under shear and relaxation. This picture emerging from the large body of studies available for this system by other experimental techniques, accounts well for the NMR data and is in good agreement with the three distinct regions of steady shear flow recognized for some lyotropic LC polymers. Shear rates in between 0.1 and 1.0 s(-1) where investigated using a Taylor-Couette flow and deuterated water was used as solvent for the deuterium NMR (DNMR) analysis.
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Keywords: nuclear-magnetic-resonance hydroxypropylcellulose solutions molecular-orientation aqueous-solutions polymer (hydroxypropyl)cellulose films temperature flow

{Current transport mechanism at metal-semiconductor nanoscale interfaces based on ultrahigh density arrays of p-type NiO nano-pillars.} - Nandy, Suman; Gonçalves, Gonçalo; Pinto, Joana Vaz; Tito Busani; Figueiredo, Vitor; Pereira, LuÍs; Paiva Martins, Rodrigo Ferrão; Elvira Fortunato (Nanoscale, 2013)
The present work focuses on a qualitative analysis of localised I-V characteristics based on the nanostructure morphology of highly dense arrays of p-type NiO nano-pillars (NiO-NPs). Vertically aligned NiO-NPs have been grown on different substrates by using a glancing angle deposition (GLAD) technique. The preferred orientation of as grown NiO-NPs was controlled by the deposition pressure. The NiO-NPs displayed a polar surface with a microscopic dipole moment along the (111) plane (Tasker's type III). Consequently, the crystal plane dependent surface electron accumulation layer and the lattice disorder at the grain boundary interface showed a non-uniform current distribution throughout the sample surface, demonstrated by a conducting AFM technique (c-AFM). The variation in I-V for different points in a single current distribution grain (CD-grain) has been attributed to the variation of Schottky barrier height (SBH) at the metal-semiconductor (M-S) interface. Furthermore, we observed that the strain produced during the NiO-NPs growth can modulate the SBH. Inbound strain acts as an external field to influence the local electric field at the M-S interface causing a variation in SBH with the NPs orientation. This paper shows that vertical arrays of NiO-NPs are potential candidates for nanoscale devices because they have a great impact on the local current transport mechanism due to its nanostructure morphology.
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{Gelatin n Zn(CF 3 SO 3 ) 2 Polymer Electrolytes for Electrochromic Devices} - Alves, Raquel D.; Rodrigues, Lu\'ısa C.; Andrade, Juliana R.; Fernandes, Mariana; Joana V. Pinto; Pereira, Lu\'ıs; Pawlicka, Agnieszka; Rodrigo Martins; Elvira Fortunato; {de Zea Bermudez}, Verónica; Silva, Maria Manuela (Electroanalysis, 2013)
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Keywords: 10; 1002; 201300038; doi; elan; electrochromic devices; gelatin matrix; solid polymer electrolytes; zinc triflate

{Once you have a hammer… - Report from the 2nd Practitioners’ Meeting within the European Project PACITA, Workshop on TA Methods. Sofia, Bulgaria, April 17-19, 2013} - Seitz, Stefanie; Maia, Maria João; Velloso, Gabriel (EconStor Open Access Articles, 2013)
No abstract is available for this item.
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Keywords: Methods; PACITA; Technology Assessment

{Preparation and characterization of cellulose nanocomposite hydrogels as functional electrolytes} - a.M. Ramos; Pereira, S.; Cidade, M.T.; Pereira, G.; R. Branquinho; L. Pereira; R. Martins; E. Fortunato (Solid State Ionics, 2013)
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Keywords: Carboxymethyl cellulose; electrochromic devices; Electrolyte; Hydrogel; Laponite

Aplicação do Fecho de Programas na Deteção de Anomalias de Concorrência - Sousa, Diogo G.; João M. Lourenço; Farchi, Eitan; Segall, Itai (Proceedings of INForum Simpósio de Informática, 2012)
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Bacterioferritin from Desulfovibrio vulgaris Hildenborough is a functional DPS-like enzyme - Folgosa, F.; Timóteo, C G; Guilherme, M.; Penas, D.; Tavares, P; Pereira, A. S. (FEBS JOURNAL, 2012)
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22nd IUBMB Congress/37th FEBS Congress, Seville, SPAIN, SEP 04-09, 2012

Design of multifunctional gold nanoparticles for in vitro and in vivo gene silencing - João Conde; Alfredo Ambrosone; Vanesa Sanz; Yulan Hernandez; Marchesano, Valentina; Furong Tian; Child, Hannah; Berry, Catherine C.; Ibarra, M. Ricardo; Baptista, Pedro V; Tortiglione, Claudia; {de la Fuente}, Jesus M. (ACS Nano, 2012)
Over the past decade, the capability of double-stranded RNAs to interfere with gene expression has driven new therapeutic approaches. Since small interfering RNA (siRNAs, 21 base pair double-stranded RNA) was shown to be able to elicit RNA interference (RNAi), efforts were directed toward the development of efficient delivery systems to preserve siRNA bioactivity throughout the delivery route, from the administration site to the target cell. Here we provide evidence of RNAi triggering, specifically silencing c-myc protooncogene, via the synthesis of a library of novel multifunctional gold nanoparticles (AuNPs). The efficiency of the AuNPs is demonstrated using a hierarchical approach including three biological systems of increasing complexity: in vitro cultured human cells, in vivo invertebrate (freshwater polyp, Hydra), and in vivo vertebrate (mouse) models. Our synthetic methodology involved fine-tuning of multiple structural and functional moieties. Selection of the most active functionalities was assisted step-by-step through functional testing that adopted this hierarchical strategy. Merging these chemical and biological approaches led to a safe, nonpathogenic, self-tracking, and universally valid nanocarrier that could be exploited for therapeutic RNAi.
Authors thank ERANET-NANOSCIERA NANOTRUCK project for financial support. J.M.F. thanks ARAID for financial support. P.V.B. thanks CIGMH. J.C. acknowledges FCT Grant SFRH/BD/62957/2009. A.A., V.M., and F.T. were granted by NANOTRUCK.
Keywords: animal models; biofunctionalization; c-Myc; Cancer; Gold nanoparticles; RNA interference

QoE-JVM: An Adaptive and Resource-Aware Java Runtime for Cloud Computing - José Simão; Lu{\'ıs Veiga (2nd International Symposium on Secure Virtual Infrastructures (DOA-SVI 2012), OTM Conferences 2012, 2012)
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RATS - Resource Aware Thread Scheduling for JVM-level Clustering - Rameshan, Navaneeth; Luís Veiga (INFORUM 2012 - Simpósio de Informática, 2012)
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Reprodução Probabilística de Execuções na JVM em Multi-processadores - João Pedro Marques Silva; Lu{\'ıs Veiga (INFORUM 2012 - Simpósio de Informática, 2012)
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Uma Infraestrutura para Suporte de Memória Transacional Distribuída - Vale, Tiago M.; Ricardo J. Dias; João M. Lourenço (Proceedings of INForum Simpósio de Informática, 2012)
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Parametrization of the angular correlation and degree of linear polarization in two-photon decays of hydrogenlike ions - Amaro, P.; Fratini, F.; Fritzsche, S.; Indelicato, P.; Santos, J. P.; Surzhykov, A. (Physical Review A, 2012)
The spontaneous two-photon emission in hydrogenlike ions is investigated within the framework of second- order perturbation theory and Dirac’s equation. Special attention is paid to the angular correlation of the emitted photons as well as to the degree of linear polarization of one of the two photons, if the second is just observed under arbitrary angles. Expressions for the angular correlation and the degree of linear polarization are expanded in powers of cosine functions of the two-photon opening angle, whose coefficients depend on the atomic number and the energy sharing of the emitted photons. The effects of including higher (electric and magnetic) multipoles upon the emitted photon pairs beyond the electric-dipole approximation are also discussed. Calculations of the coefficients are performed for the transitions 2s1/2 → 1s1/2, 3d3/2 → 1s1/2, and 3d5/2 → 1s1/2, along the entire hydrogen isoelectronic sequence (1
PTDC/FIS/117606/2010

A Recyclable Ferrite-Co Magnetic Nanocatalyst for the Oxidation of Alcohols to Carbonyl Compounds - Gawande, Manoj B; Rathi, Anuj; Nogueira, Isabel D.; Ghumman, C. A. A.; Bundaleski, N.; Teodoro, O. M. N. D.; Branco, Paula S. (CHEMPLUSCHEM, 2012)
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Regio- and Chemoselective Reduction of Nitroarenes and Carbonyl Compounds over Recyclable Magnetic Ferrite-Nickel Nanoparticles (Fe3O4-Ni) by Using Glycerol as a Hydrogen Source - Gawande, Manoj B; Rathi, Anuj K.; Branco, Paula S.; Nogueira, Isabel D.; Velhinho, Alexandre; Shrikhande, Janhavi J.; Indulkar, Utkarsha U.; Jayaram, Radha V.; Ghumman, C. Amjad A.; Bundaleski, Nenad; Teodoro, Orlando M N D (CHEMISTRY-A EUROPEAN JOURNAL, 2012)
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Relativistic polarization analysis of Rayleigh scattering by atomic hydrogen - Safari, L; Amaro, P.; Fritzsche, S.; Santos, J. P.; Tashenov, S; Fratini, F. (Physical Review A, 2012)
A relativistic analysis of the polarization properties of light elastically scattered by atomic hydrogen is performed, based on the Dirac equation and second-order perturbation theory. The relativistic atomic states used for the calculations are obtained by making use of the finite basis set method and are expressed in terms of B splines and B polynomials. We introduce two experimental scenarios in which the light is circularly and linearly polarized, respectively. For each of these scenarios, the polarization-dependent angular distribution and the degrees of circular and linear polarization of the scattered light are investigated as a function of scattering angle and photon energy. Analytical expressions are derived for the polarization-dependent angular distribution which can be used for scattering by both hydrogenic as well as many-electron systems. Detailed computations are performed for Rayleigh scattering by atomic hydrogen within the incident photon energy range 0.5 to 5 keV. Particular attention is paid to the effects that arise from higher (nondipole) terms in the expansion of the electron-photon interaction.
PTDC/FIS/117606/2010

Synthesis of catecholamine conjugates with nitrogen-centered bionucleophiles - Siopa, Filipa; Pereira, Alice S.; Ferreira, Luisa M.; Matilde Marques, M.; Branco, Paula S. (BIOORGANIC CHEMISTRY, 2012)
The enzymatic (tyrosinase) and chemical (NaIO4, Ag2O or Fremys's salt) oxidation of biologically relevant catecholamines, such as dopamine (DA), N-acetyldopamine (NADA) and the Ecstasy metabolites (alpha-MeDA and N-Me-alpha-MeDA) generates the corresponding o-quinone which can be trapped with nitrogen bionucleophiles such as N-acetyl-histidine and imidazole in a regioselective reaction that takes place predominantly at the 6-position of the catecholamine. (C) 2012 Elsevier Inc. All rights reserved.
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Synthesis of catecholamine conjugates with nitrogen-centered bionucleophiles - Siopa, Filipa; Pereira, Alice S.; Ferreira, Luisa M.; Matilde Marques, M.; Branco, Paula S. (BIOORGANIC CHEMISTRY, 2012)
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{Brain-Computer Interface (BCI): a methodological proposal to assess the impacts of medical applications in 2022} - Velloso, Gabriel T. (Enterprise and Work Innovation Studies, 2012)
Technology assessment is essentially an approach, a collective of the systematic methods used to scientifically investigate the conditions for and the consequences of technology and technicising and to denote their societal evaluation. It is an investigation about the technological developments as well as an evaluation of its potential impacts on society. The assessment of emerging technologies, however, requires special attention. Brain-Computer Interface (BCI) is an emerging technology which allows for the direct communication between the brain and an external device. It is a truly direct connection, with no use of the normal output pathways of peripheral nerves and muscles, allowing for the brain to have control over objects and software without intermediates. To address these kinds of technologies at early stages of development, Constructive Technology Assessment (CTA), a member of Technology Assessment approaches, has been considered as one of the most fitting approaches. As an emerging technology, BCI is at its early stages of research and thus many challenges are still ahead. Mainstream adoption is not expected in least 10 years many challenges are yet to be overcome. Therefore, the objective of this article is to discuss and present a methodological approach to assess brain-computer interface technology considering constructive technology assessment and future oriented technology analysis as the main processes to undertake the assessment. The assessment will focus only on the non-invasive type of BCI and for medical applications in three defined areas: Communication & Control, Motor Substitution and Motor Recovery for a time horizon of 10 years, 2022. These areas were chosen based on the capability of BCI to serve as a replacement of normal neuromuscular pathways. That makes it one of the best technologies to help people in activating and controlling assistive technologies which enable communication and control of the environment. However, the real impacts o
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Keywords: Brain-Computer Int; Constructive Technology Assessment; Emerging Technologies; Technology Assessment

{Open Innovation and Social Network Analysis} - Ana Clara Cândido (Enterprise and Work Innovation Studies, 2012)
In this work we propose the use of Social Network Analysis to understand the positioning of the concept of Open Innovation in the literature, offering thereby a complementary approach to existing literature review up to now. The main motivation of this network analysis is to contribute to the understanding of the concept of Open Innovation, with its spread to different areas of knowledge over the years and its relationship with other concepts in the literature. Some 403 articles published in the database of the Science Direct during the years 2003 to 2011 were analyzed. The data was collected separately by year, considering the following information: journals in which the articles were published; countries of origin of the articles’ authors, keywords of these articles and year of publication. The results reveal the intense growth of the use of the words "Open Innovation" in articles from different areas of knowledge, as well as its increasing interconnection with other concepts, allowing the understanding of its diffusion in the literature.
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Keywords: Network Analysis; Open Innovation; Social Network

{Renewable Energy Systems: the theme for the PACITA summer school on TA, Liège, Belgium, 25 28 June 2012} - Baumann, Manuel; Nuno Boavida; Maia, Maria João; Patrick Lichtner; António Brandão Moniz (Enterprise and Work Innovation Studies, 2012)
The summer school “Renewable Energy Systems: Role and Use of Parliamentary Technology Assessment” was the first European Summer School with a pure focus on technology assessment. The aim of the three-day long summer school of the European project Parliaments and Civil Society in Technology Assessment (PACITA) was to create awareness of the potential of technology groups in Europe. Therefore, the summer school involved keynotes, practical exercises, mutual reflection, cutting edge training and networking to deal with the theme of renewable energy systems out of the perspective of Technology Assessment (TA), to meet transition objectives or to critically assess energy technologies.
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Keywords: Parliament; renewable energy; Technology Assessment

{The new mobility paradigm: Transformation of value chain and business models} - Fournier, Guy; Hinderer, Henning; Schmid, Daniel; Seign, René; Baumann, Manuel (Enterprise and Work Innovation Studies, 2012)
Four categories of innovations have been identified by Freeman and Perez: incremental innovations, radical innovations, new technological systems (systemic innovations), and technological revolutions or new techno-economic paradigms. New techno-economic paradigms represent changes in technological systems that are so far-reaching in their effects that they have a major influence on the behaviour of the entire economy. Scarcity of oil and external costs like global warming are the key arguments and the main drivers of the change of the current paradigm. They will affect especially the mobility of individuals and the interlinked business models. Novel business models within newly created markets will raise e.g. extended mobility services, activities aiming at the infrastructure, new opportunities in the field of energy transmission and supply and even new strategies of recycling, reusing or reducing the use of resources in order to address global scarcity issues. Especially for the established players of the automotive industry like original equipment manufacturers (OEMs) or 1st and 2nd tier suppliers this implicates opportunities and risks at the same time. But also new players will get the chance to create and enter new markets with new or extended products or services and lead the new value chain. This paper compiles and evaluates current approaches and business models of selected OEMs together with upcoming players. Additionally their positions within the existing value chain are being analyzed and classified. Bringing together the identified drivers of changes with current trends within the automotive industry the authors also show new concepts of extended business models, e.g. the idea of an ecosystem, that have the potential to cause an additional shift of power within the global mobility value chain.
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Keywords: automotive industry; business models; mobility; techno-economic paradigms; value chain

K X-Ray Energies and Transition Probabilities for He-, Li- and Be-like Praseodymium ions - Santos, J. P.; Costa, A M; Martins, M C; Indelicato, P.; Parente, F. (Journal of Physics: Conference Series, 2012)
Theoretical transition energies and probabilities for He-, Li and Be-like Praseodymium ions are calcu- lated in the framework of the multi-configuration Dirac-Fock method (MCDF), including QED corrections. These calculated values are compared to recent experimental data obtained in the Livermore SuperEBIT electron beam ion trap facility [1].
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New expression for the K-shell ionization - Santos, J. P.; Guerra, M.; Parente, F. (Journal of Physics: Conference Series, 2012)
A new expression for the total K-shell ionization cross section by electron impact based on the rela- tivistic extension of the binary encounter Bethe (RBEB) model, valid from ionization threshold up to relativistic energies, is proposed. The new MRBEB expression is used to calculate the K-shell ionization cross sections by electron impact for the selenium atom. Comparison with all, to our knowledge, available experimental data shows good agreement.
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Decay of the 1s22s3p 3P0 level in Be-like ions - Marques, J.; Parente, F.; Costa, A.; Martins, M; Indelicato, P.; Santos, J (Physical Review A, 2012)
The lifetime of the 1s22s3p 3P0 level of selected Be-like ions, from Z = 5 to Z = 92, is calculated using the multiconfiguration Dirac-Fock method including QED corrections. Full correlation up to the 4f subshell in both initial and final levels for all possible decay modes was included. The results are in reasonable agreement with the scarce existing experimental and theoretical data.
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Gold on paper-paper platform for Au-nanoprobe TB detection - Veigas, Bruno Miguel Ribeiro; Jacob, Jorge Alexandre Marmelo; Costa, Mafalda N.; Santos, David Pena de Sousa; Bettencourt, Miguel Viveiros; João Inácio; Martins, Rodrigo Ferrão de Paiva; Barquinha, Pedro Miguel Cândido; Fortunato, Elvira Maria Correia; Baptista, Pedro Miguel Ribeiro Viana (Lab On A Chip, 2012)
Tuberculosis (TB) remains one of the most serious infectious diseases in the world and the rate of new cases continues to increase. The development of cheap and simple methodologies capable of identifying TB causing agents belonging to the Mycobacterium tuberculosis Complex (MTBC), at point-of-need, in particular in resource-poor countries where the main TB epidemics are observed, is of paramount relevance for the timely and effective diagnosis and management of patients. TB molecular diagnostics, aimed at reducing the time of laboratory diagnostics from weeks to days, still require specialised technical personnel and labour intensive methods. Recent nanotechnology-based systems have been proposed to circumvent these limitations. Here, we report on a paper-based platform capable of integrating a previously developed Au-nanoprobe based MTBC detection assay-we call it {"}Gold on Paper{"}. The Au-nanoprobe assay is processed and developed on a wax-printed microplate paper platform, allowing unequivocal identification of MTBC members and can be performed without specialised laboratory equipment. Upon integration of this Au-nanoprobe colorimetric assay onto the 384-microplate, differential colour scrutiny may be captured and analysed with a generic {"}smartphone{"} device. This strategy uses the mobile device to digitalise the intensity of the colour associated with each colorimetric assay, perform a Red Green Blue (RGB) analysis and transfer relevant information to an off-site lab, thus allowing for efficient diagnostics. Integration of the GPS location metadata of every test image may add a new dimension of information, allowing for real-time epidemiologic data on MTBC identification.
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Keywords: Adsorption; ASSAY; DNA; IDENTIFICATION; MYCOBACTERIUM-TUBERCULOSIS COMPLEX; NANOPARTICLE PROBES; RAPID DETECTION; RESISTANCE; SPECIMENS

Modification of plasmid DNA topology by histone-mimetic gold nanoparticles - João Conde; Baptista, Pedro V; Yulan Hernández; Vanesa Sanz; {de la Fuente}, Jesus M. (Nanomedicine, 2012)
Aims: Our aim is to explore whether gold nanoparticles (AuNPs) functionalized with a carboxylated polyethylene glycol (PEG) and protamine (AuNP@PEG@Prot) can modulate - enhance or restrain - DNA condensation, altering DNA conformation and inducing structural changes. Understanding how these nanoconjugates modulate DNA structure, size and shape of DNA condensates, and enable control over the resulting 3D structures is of major biological and therapeutic importance. Materials & methods: Citrate-AuNPs were covered with a dense layer of a hetero-functional octa(ethylene glycol) (SH-EG(8)-COOH). Conjugation of protamine to the AuNP@PEG was achieved by taking advantage of the carboxylated surface previously generated on the surface of the NP and the remaining amino groups from the protamine, using carbodiimide and N-hydroxysulfosuccinimide coupling reactions. Results & conclusion: AuNP@PEG@Prot modulates the structure and topology of DNA, not only for condensation, but also for decondensation, via formation of higher quantities of dimers and multimers, when compared with AuNP@PEG and free protamine.
This work has been funded by the Spanish Ministry of Science and Innovation (CTQ2008-03739/PPQ), NanoSciERA Grant-NANOTRUCK and ERC-Starting Grant 239931-NANOPUZZLE. J Conde thanks FCT/MCTES (SFRH/BD/62957/2009). PV Baptista thanks CIGMH-FCT/MCTES and JM de la Fuente thanks ARAID for financial support.
Keywords: DNA integrity; DNA topology; Gold nanoparticles; Histones; plasmid DNA conformations; protamine; sperm chromatin

Advantages of the Certification of Sustainable Construction - Amado, Miguel; Lucas, Vanessa (BSA, 2012)

Sustainable Construction: Energy Efficiency in Residential Buildings - Amado, Miguel; Ganhão, António (BSA, 2012)

Relativistic total cross section and angular distribution for Rayleigh scattering by atomic hydrogen - Safari, L; Amaro, P.; Fritzsche, S.; Santos, J. P.; Fratini, F. (Physical Review A, 2012)
We study the total cross section and angular distribution in Rayleigh scattering by hydrogen atom in the ground state, within the framework of Dirac relativistic equation and second-order perturbation theory. The relativistic states used for the calculations are obtained by making use of the finite basis-set method and expressed in terms of B splines and B polynomials. We pay particular attention to the effects that arise from higher (nondipole) terms in the expansion of the electron-photon interaction. It is shown that the angular distribution of scattered photons, while symmetric with respect to the scattering angle θ=90∘ within the electric dipole approximation, becomes asymmetric when higher multipoles are taken into account. The analytical expression of the angular distribution is parametrized in terms of Legendre polynomials. Detailed calculations are performed for photons in the energy range 0.5 to 10 keV. When possible, results are compared with previous calculations.
PTDC/FIS/117606/2010

Multifunctional gold nanoparticles for gene silencing - Vanesa Sanz; João Conde; Alfredo Ambrosone; Yulan Hernandez; Marchesasno, Valentina; Estrada, Giovani G.; Ibarra, Manuel R.; Baptista, Pedro V; Furong Tian; Tortiglione, Claudia; {de la Fuente}, Jesus M. (Abstracts Of Papers Of The American Chemical Society, 2012)
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Research and development expenditure in the business sector as indicator of knowledge economy: the Portuguese experience - Nuno Boavida; António Brandão Moniz (Universidade Nova de Lisboa, IET-Research on Enterprise and Work Innovation, Faculty of Science and Technology, 2012)
The objective of the paper is to help to understand recent changes in the structure of R&D activities, by analyzing data on the expenditure of the business sector in research and development (R&D). The results are framed in an international context, through comparison with indicators from the most developed countries, divided by technological intensity and economic activity. The study reveals that the indicators of Portuguese R&D expenditure in the business sector are closely linked both to fiscal policy and to high foreign direct investment in knowledge-intensive industries. It also links these indicators to phenomena such as the abundance of skilled labor in pharmaceutical industries and the government intervention in some sectors of the economy (namely health and rail transportation).
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Keywords: business sector; knowledge-intensive industries; R&D; technology intensity

The use of indicators and evidence in governance and policy development of science, technology and innovation - Manuel Laranja; Nuno Boavida (2012 – EU SPRI Conference “Towards Transformative Governance? - Responses to mission-oriented innovation policy paradigms, 2012)
This paper was first presented at the 2012 – EU SPRI Conference “Towards Transformative Governance? - Responses to mission-oriented innovation policy paradigms”, Fraunhofer ISI, June 2012, Karlsruhe

First-Order Dynamic Logic for Compensable Processes - Roberto Bruni; Carla Ferreira; Anne Kersten Kauer (Coordination Models and Languages - 14th International Conference, 2012)
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Verification of Snapshot Isolation in Transactional Memory Java Programs - Ricardo J. Dias; Dino Distefano; João Costa Seco; João Lourenço (26th European Conference on Object-Oriented Programming, 2012)
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Effect of PEG biofunctional spacers and TAT peptide on dsRNA loading on gold nanoparticles - Vanesa Sanz; João Conde; Yulán Hernández; Baptista, Pedro V; Ibarra, Manuel R.; {de la Fuente}, Jesús M. (Journal Of Nanoparticle Research, 2012)
The surface chemistry of gold nanoparticles (AuNPs) plays a critical role in the self-assembly of thiolated molecules and in retaining the biological function of the conjugated biomolecules. According to the well-established gold-thiol interaction the undefined ionic species on citrate-reduced gold nanoparticle surface can be replaced with a self-assembled monolayer of certain thiolate derivatives and other biomolecules. Understanding the effect of such derivatives in the functionalization of several types of biomolecules, such as PEGs, peptides or nucleic acids, has become a significant challenge. Here, an approach to attach specific biomolecules to the AuNPs (∼14 nm) surface is presented together with a study of their effect in the functionalization with other specific derivatives. The effect of biofunctional spacers such as thiolated poly(ethylene glycol) (PEG) chains and a positive peptide, TAT, in dsRNA loading on AuNPs is reported. Based on the obtained data, we hypothesize that loading of oligonucleotides onto the AuNP surface may be controlled by ionic and weak interactions positioning the entry of the oligo through the PEG layer. We demonstrate that there is a synergistic effect of the TAT peptide and PEG chains with specific functional groups on the enhancement of dsRNA loading onto AuNPs.
This study has been funded by CTQ2008-03739/PPQ, NanoSciERA Grant-NANOTRUCK, and ERC-Starting Grant 239931-NANOPUZZLE. J. Conde thanks FCT/MCTES (SFRH/BD/62957/2009). P.V. Baptista thanks CIG MH-FCT/MCTES and JM de la Fuente thanks ARAID for financial support.
Keywords: dsRNA oligonucleotide; Gold nanoparticles; PEG biofunctional spacers; Surface science; TAT peptide

Gold-nanobeacons for real-time monitoring of RNA synthesis - João Rosa; João Conde; {de la Fuente}, Jesus M.; Lima, João C.; Baptista, Pedro V (Biosensors & Bioelectronics, 2012)
Measuring RNA synthesis and, when required, the level of inhibition, is crucial towards the development of practical strategies to evaluate silencing efficiency of gene silencing approaches. We developed a direct method to follow RNA synthesis in real time based on gold nanoparticles (AuNPs) functionalized with a fluorophore labeled hairpin-DNA, i.e. gold-nanobeacon (Au-nanobeacon). Under hairpin configuration, proximity to gold nanoparticles leads to fluorescence quenching; hybridization to a complementary target restores fluorescence emission due to the Au-nanobeacons' conformational reorganization that causes the fluorophore and the AuNP to part from each other, yielding a quantitative response. With this reporter Au-nanobeacon we were able to measure the rate of in vitro RNA synthesis ( 10.3. fmol of RNA per minute). Then, we designed a second Au-nanobeacon targeting the promoter sequence (inhibitor) so as to inhibit transcription whilst simultaneously monitor the number of promoters being silenced. Using the two Au-nanobeacons in the same reaction mixture, we are capable of quantitatively assess in real time the synthesis of RNA and the level of inhibition.The biosensor concept can easily be extended and adapted to situations when real-time quantitative assessment of RNA synthesis and determination of the level of inhibition are required. In fact, this biosensor may assist the in vitro evaluation of silencing potential of a given sequence to be later used for in vivo gene silencing.
This work was supported by Fundacao para a Ciencia e Tecnologia [CIGMH, REQUIMTE, PTDC/QUI-QUI/112597/2009, SFRH/BD/43320/2008 to J.R., SFRH/BD/62957/2009 to J.C.]; Nanotruck-Action from NanoSciEra+; ARAID to J.M.F.
Keywords: Fluorophore labeled hairpin-DNA; Gold nanoparticles; Gold-nanobecons; Inhibition of transcription; RNA synthesis

Absolute Measurement of the Relativistic Magnetic Dipole Transition Energy in Heliumlike Argon - Amaro, Pedro; Schlesser, Sophie; Guerra, Mauro; Le Bigot, Eric-Olivier; Isac, Jean-Michel; Travers, Pascal; Santos, Jose Paulo; Szabo, Csilla; Gumberidze, Alexandre; Indelicato, Paul (Physical Review Letters, 2012)
The 1s2s 3S1 - 1s2 1S0 relativistic magnetic dipole transition in heliumlike argon, emitted by the plasma of an electron-cyclotron resonance ion source, has been measured using a double-flat crystal x-ray spectrometer. Such a spectrometer, used for the first time on a highly charged ion transition, provides absolute (reference-free) measurements in the x-ray domain. We find a transition energy of 3104.1605(77) eV (2.5 ppm accuracy). This value is the most accurate, reference-free measurement done for such a transition and is in good agreement with recent QED predictions.
PTDC/FIS/117606/2010

Immobilized Ionic Liquids in Organic Chemistry - Pereira, Maria M. A. (CURRENT ORGANIC CHEMISTRY, 2012)
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Could gold nanoprobes be an important tool in cancer diagnostics? - Baptista, Pedro Miguel Ribeiro Viana (Expert Review Of Molecular Diagnostics, 2012)
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Gold nanoparticle-based fluorescence immunoassay for malaria antigen detection - Baptista, Pedro Miguel Ribeiro Viana; Ricardo Franco (Analytical and Bioanalytical Chemistry, 2012)
The development of rapid detection assays for malaria diagnostics is an area of intensive research, as the traditional microscopic analysis of blood smears is cumbersome and requires skilled personnel. Here, we describe a simple and sensitive immunoassay that successfully detects malaria antigens in infected blood cultures. This homogeneous assay is based on the fluorescence quenching of cyanine 3B (Cy3B)-labeled recombinant Plasmodium falciparum heat shock protein 70 (PfHsp70) upon binding to gold nanoparticles (AuNPs) functionalized with an anti-Hsp70 monoclonal antibody. Upon competition with the free antigen, the Cy3B-labeled recombinant PfHsp70 is released to solution resulting in an increase of fluorescence intensity. Two types of AuNP-antibody conjugates were used as probes, one obtained by electrostatic adsorption of the antibody on AuNPs surface and the other by covalent bonding using protein cross-linking agents. In comparison with cross-linked antibodies, electrostatic adsorption of the antibodies to the AuNPs surfaces generated conjugates with increased activity and linearity of response, within a range of antigen concentration from 8.2 to 23.8 μg.mL(-1). The estimated LOD for the assay is 2.4 μg.mL(-1) and the LOQ is 7.3 μg.mL(-1). The fluorescence immunoassay was successfully applied to the detection of antigen in malaria-infected human blood cultures at a 3% parasitemia level, and is assumed to detect parasite densities as low as 1,000 parasites.μL(-1).
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RNA quantification using noble metal nanoprobes - application to cancer diagnostics - Baptista, Pedro Miguel Ribeiro Viana (Nanoparticles in Biology and Medicine - Methods and Applications, 2012)
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RNA quantification with gold nanoprobes for cancer diagnostics - Baptista, Pedro Miguel Ribeiro Viana (Clinics In Laboratory Medicine, 2012)
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Using Au-nanoprobes por point-of-need diagnostics of TB. - Pedro Baptista; Veigas, Bruno Miguel Ribeiro; Isabel Portugal; Couto, I.; M. Viveiros (Magazine da Sociedade Portuguesa de Microbiologia, 2012)
Tuberculosis remains one of the most serious infectious diseases worldwide requiring new tools to circumvent current molecular diagnostics limitations. Nanodiagnostics, i.e. nanotechnology based diagnostics, may do just that by decreasing the time needed for the molecular characterisation of the infecting agent, and allowing for miniaturisation and portability for point-of-need adapted to remote regions without suitable lab equipment.
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Nanodiagnostics for tuberculosis - Bruno Veigas; Gonçalo Dória; Baptista, Pedro V (Understanding Tuberculosis, 2012)
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The authors thank CIGMH – FCT/MCTES for financial support.

Noble metal nanoparticles for biosensing applications - Gonçalo Doria; João Conde; Bruno Veigas; Leticia Giestas; Carina Almeida; Maria Assunção; João Rosa; Baptista, Pedro V (Sensors, 2012)
In the last decade the use of nanomaterials has been having a great impact in biosensing. In particular, the unique properties of noble metal nanoparticles have allowed for the development of new biosensing platforms with enhanced capabilities in the specific detection of bioanalytes. Noble metal nanoparticles show unique physicochemical properties (such as ease of functionalization via simple chemistry and high surface-to-volume ratios) that allied with their unique spectral and optical properties have prompted the development of a plethora of biosensing platforms. Additionally, they also provide an additional or enhanced layer of application for commonly used techniques, such as fluorescence, infrared and Raman spectroscopy. Herein we review the use of noble metal nanoparticles for biosensing strategies-from synthesis and functionalization to integration in molecular diagnostics platforms, with special focus on those that have made their way into the diagnostics laboratory.
The authors acknowledge FCT/MCTES (Portugal) for financial support for CIGMH and PTDC/BIO/66514/2006. Joao Rosa acknowledges Grant No. SFRH/BD/43320/2008, Joao Conde SFRH/BD/62957/2009 and Leticia Giestas SFRH/BPD/64505/2009. Nanotruck-Action from NanoSciEra+.
Keywords: Antibody; Biosensors; DNA; Immunoassays; Molecular diagnostics; nanotechnology; Noble metal nanoparticles; Nucleic acids; PROTEINS; RNA

Pro-oxidant effects of Ecstasy and its metabolites in mouse brain synaptosomes - Barbosa, J.; Barbosa, Daniel Jose; Capela, Joao Paulo; Oliveira, Jorge M. A.; Silva, Renata; Ferreira, Luisa Maria; Siopa, Filipa; Branco, Paula Serio; Fernandes, Eduarda; Duarte, Jose Alberto; de Lourdes Bastos, Maria; Carvalho, Felix; et al. (BRITISH JOURNAL OF PHARMACOLOGY, 2012)
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{Technology governance in radiology: the example of magnetic resonance imaging} - Maia, Maria João (Universidade Nova de Lisboa, IET/CICS.NOVA-Interdisciplinary Centre on Social Sciences, Faculty of Science and Technology, 2012)
WThis report aims to be the gathering of the main ideas that culminated in the presentation at the 1st Winter School of the PhD Programme on Technology Assessment (FCT-UNL) in December 2010. It is a guideline for future work development regarding Technology Assessment in Radiology, particularly having Magnetic Resonance Imaging, as an example. Therefore, as a background, it is necessary to understand what is “Technology Assessment”, how it developed and what it Europe’s interest in this area. Doing a transposition of this subject to health area, it is also important to understand the particularities of Health Technology Assessment. Portugal framework on this subject will also be addressed. As so, the Portuguese National Health System is characterized and the decision-making stakeholders identified, has well as the competences for the decision-making process in general. More generally, the different stakeholders perception involved in decision making, the mapping skills on technology assessment and decision making, the identification of indicators present in this decision making in Radiology, particularly in Magnetic Resonance area, are subjects to be addressed. To accomplish this, a research methodology was outlined, so that six research questions could be answered and five hypotheses could be accepted or refuted, in the future. With this research methodology, the Portuguese state of the art Magnetic Resonance equipment existence will be studied, using a survey as a resource. In the future, a mapping stakeholder technique will be used to identify the decision making key stakeholders and a survey will be applied to map theirs skills and competences in the process, where a pre-test was already applied.
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Keywords: Decision process; Health technology assessment; Magnetic Resonance; Radiology

Comparative electrochemical study of superoxide reductases - Cordas, C. M.; Raleiras, P.; Auchere, F.; Moura, I.; Moura, J. J. (Eur Biophys J, 2012)

Relativistic multiconfiguration calculations of the 2s22p 2P3/2 level lifetime along the boron isoelectronic sequence - Marques, J P; Indelicato, P.; Parente, F. (The European Physical Journal D, 2012)
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Modeling praseodymium K X-ray lines in an electron beam ion trap - Santos, J. P.; Costa, A M; Martins, M C; Parente, F.; Indelicato, P. (The European Physical Journal D, 2012)
We study the most important processes for the creation of excited states in He-like through C- like praseodymium ions from the ions ground configurations, leading to the emission of K X-ray lines. Theoretical values for inner-shell excitation and ionization cross sections, transition probabilities and energies for the deexcitation processes, are calculated in the framework of the multi-configuration Dirac- Fock method, including QED corrections. Using these calculated values, a theoretical Kα X-ray spectrum is obtained, which is compared to recent experimental data obtained in the Livermore Super-EBIT electron beam ion trap facility.
PTDC/FIS/117606/2010

Chiral Ionic Liquids from Carbohydrates: Synthesis and Properties - Pereira, M Manuela A (MINI-REVIEWS IN ORGANIC CHEMISTRY, 2012)
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RNA quantification using noble metal nanoprobes: Simultaneous identification of several different mrna targets using color multiplexing and application to cancer diagnostics - João Conde; Gonçalo Doria; {de la Fuente}, Jesus M.; Baptista, Pedro Viana (Nanoparticles in Biology and Medicine: Methods and Protocols, 2012)
Nanotechnology provides new tools for gene expression analysis that allow for sensitive and specific characterization of prognostic signatures related to cancer. Cancer is a multigenic complex disease where multiple gene loci contribute to the phenotype. The ability to simultaneously monitor differential expression originating from each locus allows for a more accurate indication of degree of cancerous activity than either locus alone. Metal nanoparticles have been widely used as labels for in vitro identification and quantification of target sequences. Here we describe the synthesis of nanoparticles with different noble metal compositions in an alloy format that are then functionalized with thiol-modified ssDNA (nanoprobes). We also show how to use such nanoprobes in a non-cross-linking colorimetric method for the direct detection and quantification of specific mRNA targets, without the need for enzymatic amplification or reverse transcription steps. The different metals in the alloy provide for distinct absorption spectra due to their characteristic plasmon resonance peaks. The color multiplexing allows for simultaneous identification of several different mRNA targets involved in cancer development. Comparison of the absorption spectra of the nanoprobes mixtures taken before and after induced aggregation of metal nanoparticles allows to both identify and quantify each mRNA target. We describe the use of gold and gold:silver-alloy nanoprobes for the development of the non-cross-linking method to detect a specific BCR-ABL fusion gene (e.g., e1a2 and e14a2) mRNA target associated with chronic myeloid leukemia (CML) using 10 ng μL -1 of unamplified total human RNA. This simple methodology takes less than 50 min to complete after total RNA extraction with comparable specificity and sensitivity to the more commonly used methods.
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Keywords: Cancer; Colorimetric method; Gene Expression; Gold nanoparticles; Gold:silver alloy nanoparticles; mRNA detection; Nanoprobes

Modified binary encounter Bethe model for electron-impact ionization - Guerra, M.; Parente, F.; Indelicato, P.; Santos, J. P. (International Journal of Mass Spectrometry, 2012)
Theoretical expressions for ionization cross sections by electron impact based on the binary encounter Bethe (BEB) model, valid from ionization threshold up to relativistic energies, are proposed.The new modified BEB (MBEB) and its relativistic counterpart (MRBEB) expressions are simpler than the BEB (nonrelativistic and relativistic) expressions because they require only one atomic parameter, namely the binding energy of the electrons to be ionized, and use only one scaling term for the ionization of all sub-shells.The new models are used to calculate the K-, L- and M-shell ionization cross sections by electron impact for several atoms with Z from 6 to 83. Comparisons with all, to the best of our knowledge, available experimental data show that this model is as good or better than other models, with less complexity.
JPS-Ref52

Avaliação participativa de tecnologia e sustentabilidade organizacional [Participative technology assessment and organisational sustainability] - António Brandão Moniz (Universidade Nova de Lisboa, IET-Research on Enterprise and Work Innovation, Faculty of Science and Technology, 2012)
Technology Assessment (TA) considers the knowledge on (possible ou probable) technological effects in the processes of decision making and exploring potencial technological risks with secondary effects. Besides that, it is a scientific process with the aim of contributing the public and political opinion formation relative to social aspects of science and technology. That formation is done in an interactive and communicational mode. It overtakes the legitimacy and technology conflicts problems. TA is dealing with a political process either it is related with a parliamentary level decision on the introduction or limitation of new technologies, or at the level of participative processes of entities interested in the labour sphere. In this study, it is concluded that the TA processes at the level of organization of work can aim to fulfill higher levels of productivity and performance of installed equipment, or even to increase the quality of the product or the production process. That does not mean necessarily increases in income of workers and employees. That is why the participation of these actors is also so fundamental to this process.
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Keywords: decision making; organization of work; p; sustainability; technological risks; Technology Assessment

Contribution of Efflux to the Emergence of Isoniazid and Multidrug Resistance in Mycobacterium tuberculosis. - D. Machado; Couto, Isabel Maria dos Santos Leitão; João Perdigão; Liliana Rodrigues; Isabel Portugal; Pedro Baptista; Bruno Veigas; Leonard Amaral; Bettencourt, Miguel Viveiros (PLoS ONE, 2012)
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An Efficient Methodology for the Synthesis of 3-Styryl Coumarins - Martins, Sergio M. A.; Branco, Paula C. S.; Pereira, Antonio M. D. R. L. (JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY, 2012)
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{Avaliação participativa de tecnologia e sustentabilidade organizacional [Participative technology assessment and organisational sustainability]} - António Brandão Moniz (Universidade Nova de Lisboa, IET/CICS.NOVA-Interdisciplinary Centre on Social Sciences, Faculty of Science and Technology, 2012)
Technology Assessment (TA) considers the knowledge on (possible ou probable) technological effects in the processes of decision making and exploring potencial technological risks with secondary effects. Besides that, it is a scientific process with the aim of contributing the public and political opinion formation relative to social aspects of science and technology. That formation is done in an interactive and communicational mode. It overtakes the legitimacy and technology conflicts problems. TA is dealing with a political process either it is related with a parliamentary level decision on the introduction or limitation of new technologies, or at the level of participative processes of entities interested in the labour sphere. In this study, it is concluded that the TA processes at the level of organization of work can aim to fulfill higher levels of productivity and performance of installed equipment, or even to increase the quality of the product or the production process. That does not mean necessarily increases in income of workers and employees. That is why the participation of these actors is also so fundamental to this process.
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Keywords: decision making; organization of work; p; sustainability; technological risks; Technology Assessment

Low Carbon Roadmap for Portugal: Technology Analysis - Patrícia Fortes; Júlia Seixas; Dias, Luis; Gouveia, João Pedro (2th IAEE European Conference, Energy challenge and environmental sustainability, 2012)

The Role of CCS in the Iberian Peninsula: Contribution for a regional roadmap - Gouveia, João Pedro; Júlia Seixas; Labriet, Maryse; Patrícia Fortes; Gargiulo, Maurizio (12th IAEE European Conference, Energy challenge and environmental sustainability, 2012)

Influence of different types of admixtures on the rheological properties of hydraulic lime grouts - Luis G. Baltazar; Fernando M.A. Henriques; Maria Teresa Cidade (Proceedings of the XVIth international Congress on Rheology, 2012)

Grout injection in porous media with different internal structures - Fernando Jorne; Fernando M.A. Henriques; Luis G. Baltazar (Proceedings of the 14th International Conference - Structural Faults & Repair, 2012)

Pré-Fabricação Aplicada ao Contexto de Reabilitação de EdifíciosS - Amado, Miguel; Lopes, Tânia (CCRSEEL, 2012)
O sector da construção enfrenta actualmente um momento de crise na sua produção. Esta situação tem levado as empresas nacionais a apostar mais no mercado da reabilitação de edifícios. A acrescentar a esta mudança de mercado alvo, o ambiente conturbado que envolve as empresas de construção tem também estimulado, pelo menos as mais competitivas, a implementarem acções que conduzam à melhoria contínua da sua produtividade. A industrialização do sector, através da utilização da pré-fabricação, mostra-se como uma possível solução para atingir esta melhoria desejada, considerando as significativas vantagens que a aplicação deste tipo de soluções introduz numa obra. Existem contudo, ainda algumas barreiras no sector da construção que levam a uma reduzida utilização de soluções de pré-fabricação, sendo a falta de conhecimento dos intervenientes das variedades de tecnologias existentes no mercado e em desenvolvimento, o principal obstáculo à sua adopção. O presente artigo pretende, tornar evidentes as vantagens que esta tecnologia construtiva traz para o processo de construção e reabilitação, tanto ao nível de eficiência económica como ao nível dos seus benefícios ambientais e sociais, bem como, evidenciar as possibilidades de aplicação de sistemas de pré-fabricação existentes e em desenvolvimento, em detrimento das tecnologias construtivas convencionais, para diversas acções de reabilitação habitualmente realizadas num edifício.

Sustentabilidade em edíficios de habitação: um novo sistema de habitação - Amado, Miguel; Poggi, Francesca (CCRSEEL, 2012)

Forecasting energy for residential buildings: contributions from a bottom-up methodology of energy services demand - Gouveia, João Pedro (Workshop on Energy and Society, 2012)

Potencial de Eficiência Energética em Portugal para cenários de Longo Prazo - Dias, L.; Fortes, P.; Gouveia, J.; Seixas, J. (PCEEE – Portugal em Conferência para uma Ecónomia Energéticamente Eficiente, 2012)

Ambient Intelligence in Home Care in the Netherlands - Meriete Horst (IET, 2012)
The largest age group in the Netherlands is aging and when they are in need of home care, there will not be enough people to take care of them in the current healthcare system. One solution could be found in Ambient Intelligence, for it could aid in maintaining independency and postpone the time that people have to go to a nursing home. Furthermore, it could make the job of the caretakers easier. There are pros and cons to use Ambient Intelligence in this delicate matter that will be discussed in this paper. Furthermore, the implications of employing Ambient Intelligence strategies in home care situations will be considered. The conclusions of a recent study by the Rathenau Institute will be used as the red thread, critically looked at and taken into consideration for the recommendations of how to implement Ambient Intelligence in home care.

Application of Hyperthermia for Cancer Treatment: Recent Patents Review - Paula I P Soares; Ferreira, Isabel; Rui Igreja; Novo, Carlos; Borges, João Paulo (Recent Patents on Anti-Cancer Drug Discovery, 2012)
Cancer is one of the main causes of death in the world and its incidence increases every day. Current treatments are insufficient and present many breaches. Hyperthermia is an old concept and since early it was established as a cancer treatment option, mainly in superficial cancers. More recently the concept of intracellular hyperthermia emerged wherein magnetic particles are concentrated at the tumor site and remotely heated using an applied magnetic field to achieve hyperthermic temperatures (42-45°C). Many patents have been registered in this area since the year 2000. This review presents the most relevant information, organizing them according to the hyperthermic method used: 1) external Radio- Frequency devices; 2) hyperthermic perfusion; 3) frequency enhancers; 4) apply heating to the target site using a catheter; 5) injection of magnetic and ferroelectric particles; 6) injection of magnetic nanoparticles that may carry a pharmacological active drug. The use of magnetic nanoparticles is a very promising treatment approach since it may be used for diagnostic and treatment. An ideal magnetic nanoparticle would be able to detect and diagnose the tumor, carry a pharmacological active drug to be delivered in the tumor site, apply hyperthermia through an external magnetic field and allow treatment monitoring by magnetic resonance imaging.
Keywords: Cancer treatment; catheter; chemotherapeutic agent; conventional therapies; external magnetic field; heat therapy; Hyperthermia; hyperthermic perfusion; Magnetic nanoparticles; Radio-Frequency

Comparison of deposited surface area of airborne ultrafine particles generated from two welding processes - Gomes, J.F.; Albuquerque, P.C.; Miranda, R.M.; Santos, T.G.; Vieira, M.T. (Inhalation Toxicology, 2012)
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Cited By :8Export Date: 27 February 2015CODEN: INHTE

A differential planar eddy currents probe: Fundamentals, modeling and experimental evaluation - Rosado, L.S.; Santos, T.G.; Ramos, P.M.; Vilaça, P.; Piedade, M. (NDT and E International, 2012)
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Cited By :12Export Date: 27 February 2015CODEN: NDTIE

The effect of self-aggregation on the determination of the kinetic and thermodynamic constants of the network of chemical reactions in 3-glucoside anthocyanins - Leydet, Y.; Gavara, R.; Petrov, V.; Diniz, A. M.; A. J. Parola; J. C. Lima; Pina, F (Phytochemistry, 2012)
The six most common 3-glucoside anthocyanins, pelargonidin-3-glucoside, peonidin-3-glucoside, delphinidin-3-glucoside, malvidin-3-glucoside, cyanidin-3-glucoside and petunidin-3-glucoside were studied in great detail by NMR, UV-vis absorption and stopped flow. For each anthocyanin, the thermodynamic and kinetic constants of the network of chemical reactions were calculated at different anthocyanin concentration, from 6 x 10(-6) M up to 8 x 10(-4) M; an increasing of the flavylium cation acidity constant to give quinoidal base and a decreasing of the flavylium cation hydration constant to give hemiketal were observed by increasing the anthocyanin concentration. These effects are attributed to the self-aggregation of the flavylium cation and quinoidal base, which is stronger in the last case. The UV-vis and H-1 NMR spectral variations resulting from the increasing of the anthocyanin concentration were discussed in terms of two aggregation models; monomer-dimer and isodesmic, the last one considering the formation of higher order aggregates possessing the same aggregation constant of the dimer. The self-aggregation constant of flavylium cation at pH = 1.0, calculated by both models increases by increasing the number of methoxy (-OCH3) or hydroxy (-OH) substituents following the order: myrtillin (2 -OH), oenin (2 -OCH3), 3-OGI-petunidin (1 -OH, 1 -OCH3), kuromanin (1 -OH), 3-OGI-peonidin (1 -OCH3) and callistephin (none). Evidence for flavylium aggregates possessing a shape between J and H was achieved, as well as for the formation of higher order aggregates. (C) 2012 Elsevier Ltd. All rights reserved.
ISI Document Delivery No.: 028KLTimes Cited: 3 Cited Reference Count: 36 Leydet, Yoann Gavara, Raquel Petrov, Vesselin Diniz, Ana M. Jorge Parola, A. Lima, Joao C. Pina, Fernando Parola, A. Jorge/F-4048-2010; Gavara, Raquel/C-6669-2013; Diniz, Ana /C-6705-2013; Pina, Fernando/C-8161-2011; Caparica, cqfb_staff/H-2611-2013; REQUIMTE, AL/H-9106-2013; Chaves, Pedro/K-1288-2013; Lima, Joao/F-3658-2010 Parola, A. Jorge/0000-0002-1333-9076; Lima, Joao/0000-0003-0528-1967 Fundacao para a Ciencia e Tecnologia, through National NMR Network [PTDC/QUI-QUI/117996/2010, SFRH/BPD/44230/2008, SFRH/BPD/44639/2008, SFRH/BPD/18214/2004, SFRH/BD/48226/2008] This work was supported by Fundacao para a Ciencia e Tecnologia, through National NMR Network, projects PTDC/QUI-QUI/117996/2010, SFRH/BPD/44230/2008 (YL), SFRH/BPD/44639/2008 (RG), SFRH/BPD/18214/2004 (VP), SFRH/BD/48226/2008 (AD). Pergamon-elsevier science ltd Oxford

Excited-State Isomerization of Leuco Indigo - Rondao, R.; de Melo, JS; Melo, MJ; A. J. Parola (Journal of Physical Chemistry A, 2012)
The photoreaction of indigo and two other derivatives in its reduced (leuco) form was investigated by absorption and fluorescence (steady-state and time-resolved) techniques. The fluorescence quantum yield (phi(F)) dependence with the UV irradiation time was found to increase up to a value of phi(F) approximate to 0.2-0.3 (after 16 min) for indigo and phi(F) = 0.2 (at similar to 150 min) for its derivative 4,4'-dibutoxy-7,7'-dimethoxy-5,5'-dinitroindigo (DBMNI). With a model compound, where rotation around the central C-C bond is blocked, the phi(F) value was found constant with the UV irradiation time. Time-resolved fluorescence revealed that initially the decays are fitted with a biexponential law (with 0.12 and 2.17 ns), ending with an almost monoexponential decay (similar to 2.17 ns). Quantum yields for the isomerization photoreaction (phi(R)) were also obtained for indigo and DBMNI with values of 0.9 and 0.007, respectively. The results are rationalized in terms of a photoisomerization (conversion) reaction occurring in the first excited singlet state of trans to cis forms of leuco indigo.
ISI Document Delivery No.: 912ATTimes Cited: 2 Cited Reference Count: 31 Rondao, R. Seixas de Melo, J. Melo, M. J. Parola, A. J. Seixas de Melo, Sergio/A-5388-2008; Melo, Maria Joao/C-8594-2011; Parola, A. Jorge/F-4048-2010 Seixas de Melo, Sergio/0000-0001-9708-5079; Parola, A. Jorge/0000-0002-1333-9076 POCI [PTDC/QUI-QUI/099388/2008]; Fundacao para a Ciencia e a Tecnologia (FCT) [SFRH/BD/38882/2007]; FEDER We are grateful to POCI (project PTDC/QUI-QUI/099388/2008), Fundacao para a Ciencia e a Tecnologia (FCT), and FEDER for further funding. Dr. Gundula Voss (Bayreuth University) is acknowledged for the MpreCiba and 4,4'-dibutoxy-7,7'-dimethoxy-5,5'-dinitroindigo samples. R.R. acknowledges FCT for a Ph.D. grant (SFRH/BD/38882/2007). Amer chemical soc Washington

Hierarchical wrinkling on elastomeric Janus spheres - Trindade, Ana C.; Canejo, João P; Patrício, Pedro; Brogueira, Pedro; Teixeira, Paulo I.; Godinho, Maria Helena (Journal of Materials Chemistry, 2012)
Hierarchical wrinkling on elastomeric Janus spheres is permanently imprinted by swelling, for different lengths of time, followed by drying the particles in an appropriate solvent. First-order buckling with a spatial periodicity (λ11) of the order of a few microns and hierarchical structures comprising of 2nd order buckling with a spatial periodicity (λ12) of the order of hundreds of nanometers have been obtained. The 2nd order buckling features result from a Grinfeld surface instability due to the diffusion of the solvent and the presence of sol molecules.
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Isomerization between 2-(2,4-Dihydroxystyryl)-1-benzopyrylium and 7-Hydroxy-2-(4-hydroxystyryl)-1-benzopyrylium - Petrov, V.; A. J. Parola; Pina, F (Journal of Physical Chemistry A, 2012)
2-Phenyl-1-benzopyrylium (flavylium) and 2-styryl-1-benzopyrylium (styrylflavylium) cations establish in aqueous solution a series of equilibria defining chemical reaction networks responsive to several stimuli (pH, light, redox potential). Control over the mole fraction distribution of species by applying the appropiate stimuli defines a horizontal approach to supramolecular chemistry, in agreement with the customary bottom-up approach toward complex systems. In this work, we designed an asymmetric styrylchalcone able to cyclize in two different ways, producing two isomeric styrylflavylium cations whose chemical reaction networks are thus interconnected. The chemical reaction networks of 2-(2,4-dihydroxystyryl)-1-benzopyrylium (AH(+)) and 7-hydroxy-2-(4-hydroxystyryl)-1-benzopyrylium (AH(iso)(+)) comprise the usual species observed in flavylium-derived networks, in this case, the styryl derivatives of quinoidal bases, hemiketals, and chalcones. The thermodynamics and kinetics of the crossed networks were characterized by the use of UV-vis absorption and NMR spectroscopy as well as time-resolved pH jumps followed by stopped-flow. The two styrylflavylium cations are connected (isomerize) through two alternative intermediates, the asymmetric trans-styrylchalcone (Ct) and a spiropyran-type intermediate (SP). At pH = 1, AH(+) slowly evolves (k(obs) approximate to 10(-5) s(-1)) to a mixture containing 62% AH(iso)(+),s0 through the Ct intermediate, while at pH = 5, the SP intermediate is involved. The observed rate constants for the conversion of the styrylflavylim cations into equilibrium mixtures containing essentially Ct follow a pH-dependent bell-shaped curve in both networks. While at pH = 1 in the dark, AH(+) evolves to an equilibrium mixture containing predominantly AH(iso)(+) irradiation at lambda > 435 nm induces the opposite conversion.
ISI Document Delivery No.: 985KUTimes Cited: 1 Cited Reference Count: 32 Petrov, Vesselin Parola, A. Jorge Pina, Fernando Parola, A. Jorge/F-4048-2010; Pina, Fernando/C-8161-2011; Caparica, cqfb_staff/H-2611-2013; REQUIMTE, AL/H-9106-2013; Chaves, Pedro/K-1288-2013 Parola, A. Jorge/0000-0002-1333-9076; Fundacao para a Ciencia e Tecnologia [PTDC/QUIQUI/104129/2008, PTDC/CTM-NAN/120658/2010, Pest-C/EQB/LA0006/2011, SFRH/BPD/18214/2004] This work was supported by Fundacao para a Ciencia e Tecnologia through Projects PTDC/QUIQUI/104129/2008, PTDC/CTM-NAN/120658/2010, and Pest-C/EQB/LA0006/2011 and Grant SFRH/BPD/18214/2004 (V.P.). We acknowledge LabRMN at FCT-UNL and Rede Nacional de RMN, Portugal, for access to the facilities. Amer chemical soc Washington

New method employing the electrical impedance for monitoring mechanical damage evolution in glass-reinforced: Applications to riveted joints - Matos Filipe, L.; Santos, T.G.; Valtchev, S.; Pamies Teixeira, J.; Miranda, R.M. (Materials and Design, 2012)
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Export Date: 27 February 2015

Synthesis, characterization and biological studies of sulfonamide Schiff’s bases and some of their metal derivatives - Chohan, Zahid H.; Shad, Hazoor A.; Supuran, Claudiu T. (Journal of Enzyme Inhibition and Medicinal ChemistryJournal of Enzyme Inhibition and Medicinal Chemistry, 2012)
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doi: 10.3109/14756366.2011.574623

Synthesis, characterization and photochromism of 3 '-butoxyflavylium derivatives - Gago, S.; Petrov, V.; A. J. Parola; Pina, F (Journal of Photochemistry and Photobiology a-Chemistry, 2012)
The compounds 3'-butoxy-7-methoxyflavylium and 3'-butoxy-7-hydroxyflavylium were synthesized and the respective equilibrium and rate constants determined by two complementary techniques, pH jumps and flash photolysis. An experimental strategy based on these two techniques allowed calculation of all the equilibrium and rate constants of the system carried out for the first time in flavylium compounds lacking of the high cis-trans isomerization barrier. Irradiation of the trans-chalcone gives rise to the formation of the cis-chalcone still during the lifetime of the flash, which disappears through two parallel reactions: (i) one leading to the recovery of the trans-chalcone and the other, (ii) forming flavylium cation via hemiketal. This last reaction is globally dependent on pH and at less acidic pH the system reverts back to the trans-chalcone. The highest yield of colour production upon the flash takes place in the pH range 2-3.5. (c) 2012 Elsevier B.V. All rights reserved.
ISI Document Delivery No.: 002GETimes Cited: 3 Cited Reference Count: 32 Gago, Sandra Petrov, Vesselin Jorge Parola, A. Pina, Fernando Parola, A. Jorge/F-4048-2010; Gago, Sandra/H-5413-2012; Pina, Fernando/C-8161-2011; Caparica, cqfb_staff/H-2611-2013; REQUIMTE, AL/H-9106-2013; Chaves, Pedro/K-1288-2013 Parola, A. Jorge/0000-0002-1333-9076; Fundacao para a Ciencia e Tecnologia, National NMR Network [PTDC/QUI-QUI/117996/2010, SFRH/BPD/18214/2004] This work was supported by Fundacao para a Ciencia e Tecnologia, National NMR Network, project PTDC/QUI-QUI/117996/2010, Post-doc grant SFRH/BPD/18214/2004 (VP). Elsevier science sa Lausanne

Unidirectional Switching between Two Flavylium Reaction Networks by the Action of Alternate Stimuli of Acid and Base - Gago, S.; Petrov, V.; Diniz, A. M.; A. J. Parola; Cunha-Silva, L.; Pina, F (Journal of Physical Chemistry A, 2012)
The introduction of an ester group in the flavylium core allowed the reversible conversion between two different flavylium compounds each one exhibiting its own reaction network. An unidirectional switching cycle between 7-diethylamino-2-(4-(methoxy-carbonyl)phenyl)-1-benzopyrylium and 2-(4-carboxyphenyl)-7-diethylamino-1-benzopyrylium was achieved by means of alternate acid and base stimuli. Addition of base to a methanolic solution of the ester derivative gives rise to the trans-chalcone of the parent carboxylic acid, which upon acidification of the solution forms the respective flavylium cation. This species esterifies under very acidic conditions to restore the original methyl ester derivative. The chemical reaction networks of both compounds were fully characterized from their thermodynamic and kinetic aspects, by a series of pH jumps followed by UV-vis absorption and emission spectroscopy, stopped flow and H-down arrow NMR. The crystal structure of the trans-chalcone of the ester derivative was unveiled showing a supramolecular structure involving hydrogen bonding.
ISI Document Delivery No.: 874SITimes Cited: 1 Cited Reference Count: 20 Gago, Sandra Petrov, Vesselin Diniz, Ana M. Parola, A. Jorge Cunha-Silva, Luis Pina, Fernando Cunha-Silva, Luis/A-8765-2012; Pina, Fernando/C-8161-2011; Gago, Sandra/H-5413-2012; Parola, A. Jorge/F-4048-2010; Diniz, Ana /C-6705-2013; Caparica, cqfb_staff/H-2611-2013; REQUIMTE, AL/H-9106-2013; Chaves, Pedro/K-1288-2013 Parola, A. Jorge/0000-0002-1333-9076; Fundacao para a Ciencia e Tecnologia [PTDC/QUI-QUI/104129/2008, Pest-C/EQB/LA0006/2011]; [SFRH/BD/48226/2008]; [SFRH/BPD/18214/2004] This work was supported by Fundacao para a Ciencia e Tecnologia through Projects PTDC/QUI-QUI/104129/2008 and Pest-C/EQB/LA0006/2011 and Grants SFRH/BD/48226/2008 (A.D.) and SFRH/BPD/18214/2004 (V.P.). Amer chemical soc Washington

Avaliação da técnica de injecção de grout recorrendo ao ensaio de ultra-sons e tomografia ultra-sónica (in portuguese) - Fernando Jorne; Fernando M.A. Henriques; Luis G. Baltazar (Proceedings of the 4th National Congress on Construction, 2012)

Grout optimisation for old masonry consolidation - Luis G. Baltazar; Fernando M.A. Henriques; Fernando Jorne (Proceedings of the 4th National Congress on Construction, 2012)

CCS infrastructure development scenarios for the integrated Iberian Peninsula and Morocco energy system - Amit Kanudia; Dulce Boavida; Machteld van den Broek; Helena Cabal; Gargiulo, Maurizio; Gouveia, João Pedro; Labriet, Maryse; Júlia Seixas; GianCarlo Tosato (GHGT_11, Conference session #9 on “CCS technology assessment and system integration”, 2012)

Region specific challenges of a CO2 pipeline infrastructure in the West Mediterranean area - Model results versus stakeholder views. - Machteld van den Broek; Paulo Mesquita; Júlio Carneiro; Silva, J.; Niels Berghout; Andrea Ramirez; Gouveia, João Pedro; Júlia Seixas; Helena Cabal; Roberto Martinez; A. Rimi; Dulce Boavida; et al. (GHGT_11, on “CCS technology assessment and system integration”, 2012)

Hydraulic lime grouts for masonry injection – effects of admixtures on the fresh grout properties - Luis G. Baltazar; Fernando M.A. Henriques; Fernando Jorne (Proceedings of the 8th International Conference on Structural Analysis of Historical Constructions, 2012)

Sustainability assessment – An applied sustainability method energy supply in informal settlements - Amado, Miguel; Montalvão, David; Santana, Paula; Lopes, Tânia (IAIA 2012, 2012)

Immobilization of enterokinase on magnetic supports for the cleavage of fusion proteins - Sara D F Santana; Ana S Pina; Roque, Ana C A (Journal of Biotechnology, 2012)
Magnetic nanobiocatalysts for tag cleavage on fusion proteins have been prepared by immobilizing enterokinase (EK) onto iron oxide magnetic nanoparticles coated with biopolymers. Two different chemistries have been explored for the covalent coupling of EK, namely carbodiimide (EDC coupling) and maleimide activation (Sulfo coupling). Upon immobilization, EK initial activity lowered but EDC coupling lead to higher activity retention. Regarding the stability ofthe nanobiocatalysts,thesewere recycled up to ten times with the greater activity losses observed in the ﬁrst two cycles. The immobilized EK also proved to cleave a control fusion protein and to greatly simplify the separation of the enzyme from the reaction mixture.

- Rheological behaviour of hydraulic lime-based grouts. Shear-time and temperature dependence - Ana Brás; Fernando M.A. Henriques; Maria Teresa Cidade (Mechanics of Time-Dependent Materials, 2012)

. Parcel-Based Connectivity Analysis of fMRI Data for the Study of Epileptic Seizure Propagation. - Tana, M; Bianchi, A; Sclocco, R; Franchin, T; Cerutti, S; Leal, A (Brain Topography, 2012)

3D Assembly Group Analysis for Cognitive Automation - Brecher, C.; Breitbach, T.; Müller, S.; Mayer, Marcel Ph.; Odenthal, B.; Schlick, C.; Herfs, W. (Journal of Robotics, 2012)
A concept that allows the cognitive automation of robotic assembly processes is introduced. An assembly cell comprised of two robots was designed to verify the concept. For the purpose of validation a customer-defined part group consisting of Hubelino bricks is assembled. One of the key aspects for this process is the verification of the assembly group. Hence a software component was designed that utilizes the Microsoft Kinect to perceive both depth and color data in the assembly area. This information is used to determine the current state of the assembly group and is compared to a CAD model for validation purposes. In order to efficiently resolve erroneous situations, the results are interactively accessible to a human expert. The implications for an industrial application are demonstrated by transferring the developed concepts to an assembly scenario for switch-cabinet systems.

3D scanning characteristics of an amorphous silicon position sensitive detector array system - Contreras, Javier,; Gomes, Luis,; Filonovich, Sergej Alexandrovich,; Correia, Nuno,; Fortunato; Martins; Ferreira, Isabel (Optics Express, 2012)

Editorial of the 9th Carbohydrate Bioengineering Meeting (CBM9). - Fontes, Carlos M. G. A.; Correia, Isabel Sá; Romão, Maria João; Sá-Nogueira, Isabel; Prates, José A. M.; Ferreira, Luís M. A. (Biocatalysis and Biotransformation, 2012)
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Algorithm for the Parkinson’s disease behavioural models characterization using a biosensor - Pimentel, A. (FCT, 2012)

Aluminum doped zinc oxide sputtering targets obtained from nanostructured powders: Processing and application - Neves, Nuno,; Barros, R.,; Antunes, Elsa,; Calado, João,; Fortunato; Martins; Ferreira, Isabel (Journal of the European Ceramic Society, 2012)

Amorphous Silicon Position Sensitive Detector Array for Fast 3-D Object Profiling - Contreras, Javier,; Idzikowski, Marek,; Pereira; Filonovich, Sergej Alexandrovich,; Fortunato; Martins; Ferreira, Isabel (IEEE SENSORS JOURNAL, 2012)

Analysis of oxygen transport enhancement by functionalized magnetic nanoparticles (FMP) in bioprocesses - Ataíde, Filipe; Azevedo, Cristiana; Clemente, João J; Cunha, Antonio E; Freitas, Filomena; Reis, Maria A M; Roque, Ana C A; Oliveira, Rui (New Biotechnology, 2012)

Analysis of Resonance Raman Data on Blue Copper Site I Pseudoazurin: Excited State P and Charge Transfer Distortions and their Relation to Ground State Reorganization Energy - R.G. Hadt; X. Xie; Pauleta, S. R.; Moura, I.; Solomon, E. I. (J Inorg Biochem, 2012)

Antibody-Conjugated Nanoparticles for Therapeutic Applications - M. M. Cardoso; Peça, Inês N; Roque, ACA. (Current Medicinal Chemistry, 2012)
A great challenge to clinical development is the delivery of chemotherapeutic agents, known to cause severe toxic effects, directly to diseased sites which increase the therapeutic index whilst minimizing off-target side effects. Antibody-conjugated nanoparticles offer great opportunities to overcome these limitations in therapeutics. They combine the advantages given by the nanoparticles with the ability to bind to their target with high affinity and improve cell penetration given by the antibodies. This specialized vehicle, that can encapsulate several chemotherapeutic agents, can be engineered to possess the desirable properties, allowing overcoming the successive physiological conditions and to cross biological barriers and reach a specific tissue or cell. Moreover, antibody-conjugated nanoparticles have shown the ability to be internalized through receptor-mediated endocytosis and accumulate in cells without being recognized by the P-glycoprotein, one of the main mediators of multi-drug resistance, resulting in an increase in the intracellular concentration of drugs. Also, progress in antibody engineering has allowed the manipulation of the basic antibody structure for raising and tailoring specificity and functionality. This review explores recent developments on active drug targeting by nanoparticles functionalized with monoclonal antibodies (polymeric micelles, liposomes and polymeric nanoparticles) and summarizes the opportunities of these targeting strategies in the therapy of serious diseases (cancer, inflammatory diseases, infectious diseases, and thrombosis).

Automatic Perception of Chemical Similarities Between Metabolic Pathways - D. A. R. S. Latino; J. Aires-de-Sousa (Molecular Informatics, 2012)

Basic analog circuits with a-GIZO thin-film transistors: Modeling and simulation - Bahubalindruni, Ganga,; Tavares, Vitor Grade,; Barquinha; Duarte, Candido,; Martins; Fortunato; de Oliveira, Pedro Guedes (2012 International Conference on Synthesis, Modeling, Analysis and Simulation Methods and Applications to Circuit Design (SMACD), 2012)

Biochemical characterization of the purple form of Marinobacter hydrocarbonoclasticus nitrous oxide reductase - Dell'Acqua, S.; Pauleta, S. R.; Moura, J. J.; Moura, I. (Philos Trans R Soc Lond B Biol Sci, 2012)

Bioinspired and Sustainable Chitosan Based Monoliths for Antibody Capture and Release - Barroso, Telma; Roque, Ana C A; Aguiar-Ricardo, Ana (RSC ADV, 2012)
Chitosan-based monoliths activated by plasma technology induced the coupling of a robust biomimetic ligand, previously reported as an artificial Protein A, with high yields while minimizing the environmental impact of the procedure. Due to the high porosity, good mechanical and tunable physicochemical properties of the affinity chitosan-based monoliths, it is possible to achieve high binding capacities (150 ± 10 mg antibody per gram support), and to recover 90 ± 5% of the bound protein with 98% purity directly from cell-culture extracts. Therefore, the chitosan-based monoliths prepared by clean processes exhibit a remarkable performance for the one-step capture and recovery of pure antibodies or other biological molecules with biopharmaceutical relevance.

Brain-Computer Interface (BCI): a methodological proposal to assess the impacts of medical applications in 2022 - Velloso, Gabriel T. (Enterprise and Work Innovation Studies, 2012)
Technology assessment is essentially an approach, a collective of the systematic methods used to scientifically investigate the conditions for and the consequences of technology and technicising and to denote their societal evaluation. It is an investigation about the technological developments as well as an evaluation of its potential impacts on society. The assessment of emerging technologies, however, requires special attention. Brain-Computer Interface (BCI) is an emerging technology which allows for the direct communication between the brain and an external device. It is a truly direct connection, with no use of the normal output pathways of peripheral nerves and muscles, allowing for the brain to have control over objects and software without intermediates. To address these kinds of technologies at early stages of development, Constructive Technology Assessment (CTA), a member of Technology Assessment approaches, has been considered as one of the most fitting approaches. As an emerging technology, BCI is at its early stages of research and thus many challenges are still ahead. Mainstream adoption is not expected in least 10 years many challenges are yet to be overcome. Therefore, the objective of this article is to discuss and present a methodological approach to assess brain-computer interface technology considering constructive technology assessment and future oriented technology analysis as the main processes to undertake the assessment. The assessment will focus only on the non-invasive type of BCI and for medical applications in three defined areas: Communication & Control, Motor Substitution and Motor Recovery for a time horizon of 10 years, 2022. These areas were chosen based on the capability of BCI to serve as a replacement of normal neuromuscular pathways. That makes it one of the best technologies to help people in activating and controlling assistive technologies which enable communication and control of the environment. However, the real impacts of BCI will depend directly on the development of competing technologies, and also on the improvement in BCI research. Only then, the potential applications and end users could grow dramatically.
Based on the report for “Project IV” unit of the PhD programme on Technology Assessment (Doctoral Conference) at Universidade Nova de Lisboa (December 2011). This thesis research has the supervision of António Moniz (FCT-UNL and ITAS-KIT) and Armin Grunwald (Karlsruhe Institute of Technology-ITAS, Germany). Other members of the thesis committee are Mário Forjaz Secca (FCT-UNL) and Femke Nijboer (University of Twente, Netherlands).

A checkpointing-enabled and resource-aware Java Virtual Machine for efficient and robust e-Science applications in grid environments - José Simão; Tiago Garrochinho; Luís Veiga (Concurrency and Computation: Practice and Experience, 2012)
Object-oriented programming languages presently are the dominant paradigm of application development (e.g., Java, .NET). Lately, increasingly more Java applications have long (or very long) execution times and manipulate large amounts of data/information, gaining relevance in fields related with e-Science (with Grid and Cloud computing). Significant examples include Chemistry, Computational Biology and Bio-informatics, with many available Java-based APIs (e.g., Neobio).Often, when the execution of such an application is terminated abruptly because of a failure (regardless of the cause being a hardware of software fault, lack of available resources, etc.), all of its work already performed is simply lost, and when the application is later re-initiated, it has to restart all its work from scratch, wasting resources and time, while also being prone to another failure and may delay its completion with no deadline guarantees.Our proposed solution to address these issues is through incorporating mechanisms for checkpointing and migration in a JVM. These make applications more robust and flexible by being able to move to other nodes, without any intervention from the programmer. This article provides a solution to Java applications with long execution times, by extending a JVM (Jikes research virtual machine) with such mechanisms. Copyright © 2011 John Wiley & Sons, Ltd.
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Keywords: checkpointing; e-Science; JVM; migration; quality of execution; resource-awareness; virtual machines

A Classification of Middleware to Support Virtual Machines Adaptability in IaaS - José Simão; Luís Veiga (11th International Workshop on Adaptive and Reflective Middleware (ARM 2012), In conjuntion with Middleware 2012, 2012)
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Cobalt complexes bearing scorpionate ligands: synthesis, characterization, cytotoxicity and DNA cleavage - Silva, T. F.; Martins, L. M.; da Silva, M. F. G.; Fernandes, A. R.; A. Silva; Borralho, P. M.; Santos, S.; Rodrigues, C. M.; Pombeiro, A. J. (Dalton Trans, 2012)

A Comparison between Vanadyl, Vanadate, and Decavanadate Effects in Actin Structure and Function: Combination of Several Spectroscopic Studies - Ramos, S.; Moura, J. J. G.; Aureliano, M. (Spectroscopy: An International Journal, 2012)