Tuning the Surface Chemistry of Nanoporous Carbons for Enhanced Nanoconfined Photochemical Activity - Velasco, Leticia F.; Gomis-Berenguer, Alicia; Lima, Joao C.; Ania, Conchi O. (Chemcatchem, 2015)
n/a
Lima, Joao/F-3658-2010 Lima, Joao/0000-0003-0528-1967 Si 0

Unravelling glucan recognition systems by glycome microarrays using the designer approach and mass spectrometry - Palma, A. S.; Liu, Y.; Zhang, H.; Zhang, Y.; McCleary, B. V.; Yu, G.; Huang, Q.; Guidolin, L. S.; Ciocchini, A. E.; Torosantucci, A.; Wang, D.; Carvalho, A. L.; et al. (Mol Cell Proteomics, 2015)
Glucans are polymers of D-glucose with differing linkages in linear or branched sequences. They are constituents of microbial and plant cell-walls and involved in important bio-recognition processes including immunomodulation, anti-cancer activities, pathogen virulence and plant cell-wall biodegradation. Translational possibilities for these activities in medicine and biotechnology are considerable. High-throughput micro-methods are needed to screen proteins for recognition of specific glucan sequences as a lead to structure-function studies and their exploitation. We describe construction of a glucome microarray, the first sequence-defined glycome-scale microarray, using a designer approach from targeted ligand-bearing glucans in conjunction with a novel high-sensitivity mass spectrometric sequencing method, as a screening tool to assign glucan recognition motifs. The glucome microarray comprises 153 oligosaccharide probes with high purity, representing major sequences in glucans. The negative-ion electrospray tandem mass spectrometry with collision-induced dissociation was used for complete linkage analysis of gluco-oligosaccharides in linear homo and hetero and branched sequences. The system is validated using antibodies and carbohydrate-binding modules known to target α- or β-glucans in different biological contexts, extending knowledge on their specificities, and applied to reveal new information on glucan recognition by two signalling molecules of the immune system against pathogens: Dectin-1 and DC-SIGN. The sequencing of the glucan oligosaccharides by the MS method and their interrogation on the microarrays provides detailed information on linkage, sequence and chain length requirements of glucan-recognizing proteins, and are a sensitive means of revealing unsuspected sequences in the polysaccharides.
n/a

A value-added exopolysaccharide as a coating agent for MRI nanoprobes - Palma, S. I.; Rodrigues, C. A.; Carvalho, A.; Morales Mdel, P.; Freitas, F; Fernandes, A. R.; Cabral, J. M.; Roque, A C (Nanoscale, 2015)
Fucopol, a fucose-containing exopolysaccharide (EPS) produced by the bacterium Enterobacter A47 DSM 23139 using glycerol as a carbon source, was employed as a new coating material for iron oxide magnetic nanoparticles (MNPs). The coated particles were assessed as nanoprobes for cell labeling by Magnetic Resonance Imaging (MRI). The MNPs were synthesized by a thermal decomposition method and transferred to an aqueous medium by a ligand-exchange reaction with meso-2,3-dimercaptosuccinic acid (DMSA). Covalent binding of EPS to DMSA-stabilized nanoparticles (MNP-DMSA) resulted in a hybrid magnetic-biopolymeric nanosystem (MNP-DMSA-EPS) with a hydrodynamic size of 170 nm, a negative surface charge under physiological conditions and transverse to longitudinal relaxivity ratio, r2/r1, of 148. In vitro studies with two human cell lines (colorectal carcinoma - HCT116 - and neural stem/progenitor cells - ReNcell VM) showed that EPS promotes internalization of nanoparticles in both cell lines. In vitro MRI cell phantoms showed a superior performance of MNP-DMSA-EPS in ReNcell VM, for which the iron dose-dependent MRI signal drop was obtained at relatively low iron concentrations (12-20 mug Fe per ml) and short incubation times. Furthermore, ReNcell VM multipotency was not affected by culture in the presence of MNP-DMSA or MNP-DMSA-EPS for 14 days. Our study suggests that Fucopol-coated MNPs represent useful cell labeling nanoprobes for MRI.
n/a

{A combination of solution synthesis solution combustion synthesis for highly conducting and transparent Aluminum Zinc Oxide thin films} - Ullaha, S; Matteis, F De; R. Branquinho; E. Fortunato; R. Martins; Davoli, I (2015 IEEE 15th International Conference on Nanotechnology (IEEE-NANO), 2015)
Aluminum Zinc Oxide has been extensively investigated as a cheap alternative to transparent conducting tin oxide films for electronic and optoelectronic applications. Thin films of Aluminum Zinc Oxide have been developed successfully through a combination of solution combustion synthesis and solution synthesis. Zn(NO3)3·6H2O as metal source was dissolved in 2-methoxyethanol as solvent through combustion synthesis with Urea as fuel while dopant source of AlCl3·6H2O was mixed separately in solvent to avoid aluminum oxide formation in the films. Precursor solutions were obtained mixing Zn {&} Al separate solutions in 9:1, 8:2, and 7:3 ratios respectively with oxide, fuel and dopant concentrations of 0.5, 0.25, 0.1, and 0.05 M. The film stacks have been prepared through spin-coating with heating at 400°C for 10 minutes after each deposition to remove residuals and evaporate solvents. Thermal annealing in oven at 600°C for 1 hour followed by rapid thermal annealing at 500°C {&} 600°C first in vacuum and then in N2-5{%}H2 environment respectively for 10 minutes each reduced the resistivity of film stacks. Film stack with 10 layers for an average thickness of 0.5$μ$m gave the best Hall Effect resistivity of 3.2 × 10-2 $Ømega$-cm in the case of 0.5M solution with Zn:Al mixing ratio of 9:1 for RTA annealings at 600°C with an average total transparency of 80 {%} in the wavelength range of 400-1200 nm. The results show a clear trend that increasing the amount of ingredients resistivity could further be decreased.
n/a
Keywords: 2-methoxyethanol; aluminium compounds; aluminum oxide formation; Annealing; AZO; Combustion; combustion synthesis; conductivity; dopant concentrations; dopant source; film stacks; Hall effect; Hall effect resistivity; heating; highly conducting thin films; metal source; Optical films; Optical mixing; optoelectronic applications; precursor solutions; rapid thermal annealing; semiconductor thin films; solution combustion synthesis; solvent; spin coating; spin-coating; temperature 400 C; temperature 500 C; temperature 600 C; time 1 h; time 10 min; transparent aluminum zinc oxide thin films; transparent conducting oxides; transparent conducting tin oxide films; wavelength 400 nm to 1200 nm; zinc compounds; Zinc oxide

{Assessing Technologies: Global Patterns of Trust and Distrust. Report on one session at the XVIII World Congress of Sociology} - António Moniz (EconStor Open Access Articles, 2015)
Technology assessment (TA) had never been treated as a relevant topic within the International Sociological Association (ISA) before. The first steps towards establishing this association were taken in 1948, at the initiative of the Social Science Department of UNESCO. Its formal foundation was in 1949. The World Congress of Sociology in Japan was hopefully the beginning of continuous integration of TA into the thematic sessions within the ISA.
n/a
Keywords: ISA; STS; Technology Assessment; Trust; UNESCO

{Efficient Field Emission from Vertically Aligned Cu2O1-delta(111) Nanostructure Influenced by Oxygen Vacancy} - Nandy, Suman; Thapa, Ranjit; Kumar, Mohit; Som, Tapobrata; Bundaleski, Nenad; Teodoro, Orlando M N D; Rodrigo Martins; Elvira Fortunato (ADVANCED FUNCTIONAL MATERIALS, 2015)
n/a
n/a

{Electrochromic devices incorporating biohybrid electrolytes doped with a lithium salt, an ionic liquid or a mixture of both} - M. Fernandes; Leones, R.; Costa, A.M.S.; Silva, M. M.; Pereira, S.; J.F. Mano; E. Fortunato; R. Rego; {de Zea Bermudez}, V. (Electrochimica Acta, 2015)
n/a
n/a
Keywords: 1-ethyl-3-methyl imidazo-; electrochromic devices; lium tetra fl uoroborate

{Gravure printed sol–gel derived AlOOH hybrid nanocomposite thin films for printed electronics} - Kololuoma, Terho; Leppäniemi, Jaakko; Majumdar, Himadri; Rita Branquinho; Herbei-Valcu, Elena; Musat, Viorica; Rodrigo Martins; Elvira Fortunato; Alastalo, Ari (J. Mater. Chem. C, 2015)
n/a
n/a

{Solar cells for self-sustainable intelligent packaging} - Vicente, António; Hugo Águas; Mateus, Tiago; Araújo, Andreia; Lyubchyk, Andriy; Siitonen, Simo; Elvira Fortunato; Rodrigo Martins (J. Mater. Chem. A, 2015)
n/a
n/a

{Tailoring nanoscale properties of tungsten oxide for inkjet printed electrochromic devices} - Pawel Jerzy Wojcik; Santos, Lidia; Pereira, Luis; Rodrigo Martins; Elvira Fortunato (Nanoscale, 2015)
This paper focuses on the engineering procedures governing the synthesis of tungsten oxide nanocrystals and the formulation of printable dispersions for electrochromic applications. By that means, we aim to stress the relevancy of a proper design strategy that results in improved physicochemical properties of nanoparticle loaded inks. In the present study inkjet printable nanostructured tungsten oxide particles were successfully synthesized via hydrothermal processes using pure or acidified aqueous sol-gel precursors. Based on the proposed scheme, the structure and morphology of the nanoparticles were tailored to ensure the desired printability and electrochromic performance. The developed nanomaterials with specified structures effectively improved the electrochemical response of printed films, resulting in 2.5 times higher optical modulation and 2 times faster coloration time when compared with pure amorphous films.
n/a

{Towards environmental friendly solution-based ZTO/AlOx TFTs} - Rita Branquinho; Salgueiro, Daniela; Santa, Ana; Kiazadeh, Asal; Barquinha, Pedro; Pereira, Luis; Rodrigo Martins; Elvira Fortunato (SEMICONDUCTOR SCIENCE AND TECHNOLOGY, 2015)
n/a
n/a

Exploiting the Therapeutic Potential of 8-beta-D-Glucopyranosylgenistein: Synthesis, Antidiabetic Activity, and Molecular Interaction with Islet Amyloid Polypeptide and Amyloid beta-Peptide (1-42) - Jesus, Ana R.; Dias, Catarina; Matos, Ana M.; de Almeida, Rodrigo F. M.; Viana, Ana S.; Marcelo, Filipa; Ribeiro, Rogerio T.; Macedo, Maria P.; Airoldi, Cristina; Nicotra, Francesco; Martins, Alice; Cabrita, Eurico J.; et al. (Journal of Medicinal Chemistry, 2014)
8-β-d-Glucopyranosylgenistein (1), the major component of Genista tenera, was synthesized and showed an extensive therapeutical impact in the treatment of STZ-induced diabetic rats, producing normalization of fasting hyperglycemia and amelioration of excessive postprandial glucose excursions and and increasing β-cell sensitivity, insulin secretion, and circulating insulin within 7 days at a dose of 4 (mg/kg bw)/day. Suppression of islet amyloid polypeptide (IAPP) fibril formation by compound 1 was demonstrated by thioflavin T fluorescence and atomic force microscopy. Molecular recognition studies with IAPP and Aβ1-42 employing saturation transfer difference (STD) confirmed the same binding mode for both amyloid peptides as suggested by their deduced epitope. Insights into the preferred conformation in the bound state and conformers' geometry resulting from interaction with Aβ1-42 were also given by STD, trNOESY, and MM calculations. These studies strongly support 8-β-d-glucopyranosylgenistein as a promising molecular entity for intervention in amyloid events of both diabetes and the frequently associated Alzheimer's disease.
n/a

Theoretical determination of K X-ray transition energy and probability values for highly charged ions of lanthanum and cerium - Santos, Jose Paulo; Martins, Maria Conceição; Costa, Ana Maria; Marques, José Pires; Indelicato, Paul; Parente, Fernando (The European Physical Journal D, 2014)
n/a
n/a

Rubah: DSU for Java on a stock JVM - Luis Pina; Luís Veiga; Michael Hicks (ACM Conference on Object-Oriented Programming Languages, Systems, and Applications (OOPSLA 2014), 2014)
n/a
n/a

Anti-cancer precision theranostics: a focus on multifunctional gold nanoparticles - Cabral, Rita M.; Pedro Baptista (Expert Review Of Molecular Diagnostics, 2014)
Gold nanoparticles have been appointed as cutting-edge platforms for combined diagnostic and therapeutic approaches due to their exquisite physicochemical and optical properties. In particular, their potential benefits in cancer settings are enormous, as they can serve as targeted vehicles for controlled drug release, photothermal therapy and gene therapy, as well as contrast imaging agents to allow for real-time monitoring of both disease and therapeutic progression. These theranostic platforms represent powerful image-guided therapeutics, tailored to maximize individual patient benefit and with the ability to significantly minimize toxic side effects. Here the authors review some of the recent advances on the development of gold nanoparticle conjugates for combined diagnostics and therapy, while reflecting on the obstacles toward translational research.
SCOPUSID:84911890215 PMID:25314939 WOS:000346900500010
Keywords: Cancer; cancer therapy; CANCER-CELLS; COMPUTED-TOMOGRAPHY; DRUG-DELIVERY; ENHANCED RAMAN-SCATTERING; gold nanoparticle; HIGH-RESOLUTION; LOADED CELLS; Molecular diagnostics; MULTIDRUG-RESISTANCE; NANORODS; nanotheranostics; NEAR-INFRARED LIGHT; photothermal therapy

Characterization of genomic single nucleotide polymorphism via colorimetric detection using a single gold nanoprobe - Carlos, Fabio Ferreira; Orfeu Flores; Doria, Goncalo; Pedro Baptista (Analytical Biochemistry, 2014)
Identification of specific nucleic acid sequences mediated by gold nanoparticles derivatized thiol-modified oligonucleotides (Au-nanoprobes) has been proven to be a useful tool in molecular diagnostics. Here, we demonstrate that, on optimization, detection may be simplified via the use of a single Au-nanoprobe to detect a single nucleotide polymorphism (SNP) in homo- or heterozygote condition. We validated this non-cross-linking approach through the analysis of 20 clinical samples using a single specific Au-nanoprobe for an SNP in the FTO (fat mass and obesity-associated) gene against direct DNA sequencing. Sensitivity, specificity, and limit of detection CLOD) were determined, and statistical differences were calculated by one-way analysis of variance (ANOVA) and a post hoc Tukey's test to ascertain whether there were any differences between Au-nanoprobe genotyped groups. For the first time, we show that the use of a single Au-nanoprobe can detect SNP for each genetic status (wild type, heterozygous, or mutant) with high degrees of sensitivity (87.50%) and specificity (91.67%). (c) 2014 Elsevier Inc. All rights reserved.
n/a
Keywords: DNA; FTO gene; Genotyping; Gold nanoparticles; MYCOBACTERIA; Nanodiagnostics; nanoparticles; Non-cross-linking method; OBESITY; Point of care; VARIANT

Metabolic and histopathological alterations in the marine bivalve Mytilus galloprovincialis induced by chronic exposure to acrylamide - Miguel Larguinho; Ana Cordeiro; Mário Diniz; Costa, Pedro M.; Pedro Baptista (Environmental Research, 2014)
Although the neurotoxic and genotoxic potential of acrylamide has been established in freshwater fish, the full breadth of the toxicological consequences induced by this xenobiotic has not yet been disclosed, particularly in aquatic invertebrates. To assess the effects of acrylamide on a bivalve model, the Mediterranean mussel (Mytilus galloprovincialis), two different setups were accomplished: 1) acute exposure to several concentrations of waterborne acrylamide to determine lethality thresholds of the substance and 2) chronic exposure to more reduced acrylamide concentrations to survey phases I and II metabolic endpoints and to perform a whole-body screening for histopathological alterations. Acute toxicity was low (LC50 approximate to 400 mg/L). However, mussels were responsive to prolonged exposure to chronic concentrations of waterborne acrylamide (1-10 mg/L), yielding a significant increase in lipid peroxidation plus EROD and GST activities. Still, total anti-oxidant capacity was not exceeded. In addition, no neurotoxic effects could be determined through acetylcholine esterase (AChE) activity. The findings suggest aryl-hydrocarbon receptor (Ahr)-dependent responses in mussels exposed to acrylamide, although reduced comparatively to vertebrates. No significant histological damage was found in digestive gland or gills but female gonads endured severe necrosis and oocyte atresia. Altogether, the results indicate that acrylamide may induce gonadotoxicity in mussels, although the subject should benefit from further research. Altogether, the findings suggest that the risk of acrylamide to aquatic animals, especially molluscs, may be underestimated. (C) 2014 Elsevier Inc. All rights reserved.
n/a
Keywords: ACRYLAMIDE; ADDUCT FORMATION; C-14 ACRYLAMIDE; Chronic exposure; Histopathology; INDUCED OXIDATIVE STRESS; MECHANISMS; MONOMER; MUSSEL; Mussels; NEUROTOXICITY; Oxidative Stress; Rats; Reproductive toxicity; Water

Método colorimétrico e estojo de detecção de sequências específicas de ácidos nucléicos através de nanopartículas metálicas funcionalizadas com oligonucleotídos modificados. - Tavares, Jose Ricardo Ramos Franco; Baptista, Pedro Miguel Ribeiro Viana; Dória, Goncalo Maria Reimao Pinto De Franca; Flores, Alcino Orfeu De Leao (2014)
n/a
BRPI0811490; C12Q 1/ 68 A I

Gold nanoprobes for multi loci assessment of multi-drug resistant tuberculosis - Pedro Pedrosa; Bruno Veigas; Diana Machado; Isabel Couto; Miguel Viveiros; Baptista, Pedro Viana (Tuberculosis, 2014)
Tuberculosis, still one of the leading human infectious diseases, reported 8.7 million new cases in 2011 alone. Also, the increasing rate of multidrug-resistant tuberculosis (MDRTB) and its treatment difficulties pose a serious public health threat especially in developing countries. Resistance to isoniazid and rifampicin, first line antibiotics, is commonly associated with point mutations in katG, inhA and rpoB genes of Mycobacterium tuberculosis complex (MTBC). Therefore, the development of cheap, fast and simple molecular methods to assess susceptibility profiles would have a huge impact in the capacity of early diagnosis and treatment of MDRTB. Gold nanoparticles functionalized with thiol-modified oligonucleotides (Au-nanoprobes) have shown the potential to provide a rapid and sensitive detection method for MTBC and single base mutations associated with antibiotic resistance, namely the characterization of the three most relevant codons in rpoB gene associated to rifampicin resistance. Here we extend the Au-nanoprobe approach towards discriminating specific mutations within inhA and rpoB genes in PCR amplified DNA from isolates. Using a multiplex PCR reaction for these two genes, it is possible to assess both loci in parallel, and extend the potential of the Au-nanoprobe method to MDRTB molecular characterization with special application in the most frequent Portuguese genotypes. (C) 2014 Elsevier Ltd. All rights reserved.
We acknowledge Fundacao para a Ciencia e a Tecnologia (FCTMCTES) for financial support CIGMH (PEst-OE/SAU/UI0009/2011); Projects PTDC/BBB-NAN/1812/2012, PTDC/CTM-NAN/109877/ 2009; SFRH/BD/78970/2011 for BV and SFRH/BD/65060/2009 for DM. We also thank Santander-Totta/UNL for financial support (Scientific Prize Edition 2012).
Keywords: ASSAY; COMPLEX; DNA; Gene; Gold nanoparticles; inhA; MDRTB; MECHANISM; MUTATIONS; MYCOBACTERIUM-TUBERCULOSIS; Nanodiagnostics; PLATFORM; RAPID IDENTIFICATION; rpoB; Tuberculosis

A low cost, safe, disposable, rapid and self-sustainable paper-based platform for diagnostic testing: Lab-on-paper - Costa, Mafalda Nascimento; Bruno Veigas; Jacob, Jorge M.; Santos, David S.; Jacinto Gomes; Baptista, Pedro Viana; Rodrigo Martins; João Inácio; Elvira Fortunato (Nanotechnology, 2014)
There is a strong interest in the use of biopolymers in the electronic and biomedical industries, mainly towards low-cost applications. The possibility of developing entirely new kinds of products based on cellulose is of current interest, in order to enhance and to add new functionalities to conventional paper-based products. We present our results towards the development of paper-based microfluidics for molecular diagnostic testing. Paper properties were evaluated and compared to nitrocellulose, the most commonly used material in lateral flow and other rapid tests. Focusing on the use of paper as a substrate for microfluidic applications, through an eco-friendly wax-printing technology, we present three main and distinct colorimetric approaches: (i) enzymatic reactions (glucose detection); (ii) immunoassays (antibodies anti-Leishmania detection); (iii) nucleic acid sequence identification (Mycobacterium tuberculosis complex detection). Colorimetric glucose quantification was achieved through enzymatic reactions performed within specific zones of the paper-based device. The colouration achieved increased with growing glucose concentration and was highly homogeneous, covering all the surface of the paper reaction zones in a 3D sensor format. These devices showed a major advantage when compared to the 2D lateral flow glucose sensors, where some carryover of the coloured products usually occurs. The detection of anti-Leishmania antibodies in canine sera was conceptually achieved using a paper-based 96-well enzyme-linked immunosorbent assay format. However, optimization is still needed for this test, regarding the efficiency of the immobilization of antigens on the cellulose fibres. The detection of Mycobacterium tuberculosis nucleic acids integrated with a non-cross-linking gold nanoprobe detection scheme was also achieved in a wax-printed 384-well paper-based microplate, by the hybridization with a species-specific probe. The obtained results with the above-mentioned proof-of-concept sensors are thus promising towards the future development of simple and cost-effective paper-based diagnostic devices.
This work has been financed by the European Commission under projects INVISIBLE (FP7 ERC AdG no 228144) and APPLE (FP7-NMP-2010-SME/262782-2), and the Portuguese Science Foundation (FCT-MEC) through the Projects PEst-C/CTM/LA0025/2013-14, EXCL/CTM-NAN/0201/2012, PEst-C/CTM/LA0025/2011, PEst-OE/SAU/UI0009/2011, PTDC/CVT/111634/2009, PTDC/CTM/NAN/109877/2009. Mafalda Costa and Bruno Veigas were supported by FCT/MEC (SFRH/BD/90891/2012 and SFRH/BD/78970/2011, respectively).

{Nanocrystalline cellulose applied simultaneously as the gate dielectric and\~{}the substrate in flexible field effect transistors.} - Gaspar, D; Fernandes, S N; de Oliveira, a G; Fernandes, J G; Grey, P; Pontes, R V; L. Pereira; R. Martins; M. H. Godinho; E. Fortunato (Nanotechnology, 2014)
Cotton-based nanocrystalline cellulose (NCC), also known as nanopaper, one of the major sources of renewable materials, is a promising substrate and component for producing low cost fully recyclable flexible paper electronic devices and systems due to its properties (lightweight, stiffness, non-toxicity, transparency, low thermal expansion, gas impermeability and improved mechanical properties).Here, we have demonstrated for the first time a thin transparent nanopaper-based field effect transistor (FET) where NCC is simultaneously used as the substrate and as the gate dielectric layer in an \{$\backslash$textquoteright\}interstrate\{$\backslash$textquoteright\} structure, since the device is built on both sides of the NCC films; while the active channel layer is based on oxide amorphous semiconductors, the gate electrode is based on a transparent conductive oxide.Such hybrid FETs present excellent operating characteristics such as high channel saturation mobility (>7\~{}cm(2)\~{}V (-1)\~{}s(-1)), drain-source current on/off modulation ratio higher than 10(5), enhancement n-type operation and subthreshold gate voltage swing of 2.11\~{}V/decade. The NCC film FET characteristics have been measured in air ambient conditions and present good stability, after two weeks of being processed, without any type of encapsulation or passivation layer. The results obtained are comparable to ones produced for conventional cellulose paper, marking this out as a promising approach for attaining high-performance disposable electronics such as paper displays, smart labels, smart packaging, RFID (radio-frequency identification) and point-of-care systems for self-analysis in bioscience applications, among others.
n/a

{The influence of fibril composition and dimension on the performance of paper gated oxide transistors.} - L. Pereira; Gaspar, D; Guerin, D; Delattre, a; E. Fortunato; R. Martins (Nanotechnology, 2014)
Paper electronics is a topic of great interest due the possibility of having low-cost, disposable and recyclable electronic devices. The final goal is to make paper itself an active part of such devices. In this work we present new approaches in the selection of tailored paper, aiming to use it simultaneously as substrate and dielectric in oxide based paper field effect transistors (FETs). From the work performed, it was observed that the gate leakage current in paper FETs can be reduced using a dense microfiber/nanofiber cellulose paper as the dielectric. Also, the stability of these devices against changes in relative humidity is improved. On other hand, if the pH of the microfiber/nanofiber cellulose pulp is modified by the addition of HCl, the saturation mobility of the devices increases up to 16 cm(2) V(-1) s(-1), with an ION/IOFF ratio close to 10(5).
n/a
Keywords: nanodielectrics; paper electronics; paper transistors

Determination of subshell-resolved L-shell-ionization cross sections of gold induced by 15–40-keV electrons - Rahangdale, H V; Guerra, M.; Das, P K; De, S.; Santos, J. P.; Mitra, D; Saha, S (Physical Review A, 2014)
n/a
n/a

A vacuum double-crystal spectrometer for reference-free X-ray spectroscopy of highly charged ions - Amaro, P.; Szabo, C. I.; Schlesser, S.; Gumberidze, A.; Kessler, E. G.; Henins, A.; Le Bigot, E. O.; Trassinelli, M; Isac, J. M.; Travers, P; Guerra, M.; Santos, J. P.; et al. (Radiation Physics and Chemistry, 2014)
Radiation Physics and Chemistry, 98 + (2014) 132-149. doi:10.1016/j.radphyschem.2014.01.015
n/a

Antibody-drug gold nanoantennas with Raman spectroscopic fingerprints for in vivo tumour theranostics - João Conde; Chenchen Bao; Daxiang Cui; Baptista, Pedro V; Furong Tian (Journal of Controlled Release, 2014)
Inspired by the ability of SERS nanoantennas to provide an integrated platform to enhance disease targeting in vivo, we developed a highly sensitive probe for in vivo tumour recognition with the capacity to target specific cancer biomarkers such as epidermal growth factor receptors (EGFR) on human cancer cells and xenograft tumour models. Here, we used   90 nm gold nanoparticles capped by a Raman reporter, encapsulated and entrapped by larger polymers and a FDA antibody-drug conjugate - Cetuximab (Erbitux®) - that specifically targets EGFR and turns off a main signalling cascade for cancer cells to proliferate and survive. These drug/SERS gold nanoantennas present a high Raman signal both in cancer cells and in mice bearing xenograft tumours. Moreover, the Raman detection signal is accomplished simultaneously by extensive tumour growth inhibition in mice, making these gold nanoantennas ideal for cancer nanotheranostics, i.e. tumour detection and tumour cell inhibition at the same time.
SFRH/BD/62957/2009 PEst-OE/SAU/UI0009/2011 Sem PDF conforme despacho.
Keywords: Antibody-drug conjugates; In vivo tumour targeting; nanotheranostics; Raman fingerprints; SERS

The Mixture of ``Ecstasy{''} and Its Metabolites Impairs Mitochondrial Fusion/Fission Equilibrium and Trafficking in Hippocampal Neurons, at In Vivo Relevant Concentrations - Barbosa, Daniel Jose; Serrat, Roman; Mirra, Serena; Quevedo, Marti; Gomez de Barreda, Elena; Avila, Jesus; Ferreira, Luisa Maria; Branco, Paula Serio; Fernandes, Eduarda; Bastos, Maria de Lourdes; Capela, Joao Paulo; Soriano, Eduardo; et al. (TOXICOLOGICAL SCIENCES, 2014)
n/a
n/a

Pharmacological characterization of Solanum cernuum Vell.: 31-norcycloartanones with analgesic and anti-inflammatory properties - Lopes, Luciane C.; de Carvalho, Joao Ernesto; Kakimore, Marise; Vendramini-Costa, Debora B.; Medeiros, Maria A.; Spindola, Humberto M.; Avila-Roman, Javier; Lourenco, Ana M.; Motilva, Virginia (INFLAMMOPHARMACOLOGY, 2014)
n/a
n/a

Angular and polarization analysis for two-photon decay of 2s& - Safari, L; Amaro, P.; Santos, J. P.; Fratini, F. (Physical Review A, 2014)
The amplitude of two-photon transitions between hyperfine states in hydrogenlike ions is derived based on the relativistic Dirac equation and second-order perturbation theory. We study angular and linear polarization properties of the photon pair emitted in the decay of $2s$ states, where spin-flip and non-spin-flip transitions are highlighted. We pay particular attention to hydrogenlike uranium, since it is an ideal candidate for investigating relativistic and high-multipole effects, such as spin-flip transitions. Two types of emission patterns are identified: (i) non-spin-flip transitions are found to be characterized by an angular distribution of the type $W($θ${})$\sim${}1+{cos}^{2}$θ${}$ while the polarizations of the emitted photons are parallel; and (ii) spin-flip transitions have somewhat smaller decay rates and are found to be characterized by an angular distribution of the type $W($θ${})$\sim${}1$-${}1/3{cos}^{2}$θ${}$ while the polarizations of the emitted photons are orthogonal, where $$θ${}$ is the angle between photons directions. Deviations due to nondipole and relativistic contributions are evaluated for both types of transitions. This work is the first step toward exploring the effect of the nucleus over the angular and polarization properties of the photon pairs emitted by two-photon transitions.
n/a

Quantized form factor shift in the presence of free electron laser radiation - Fratini, F.; Safari, L; Hayrapetyan, A G; Jankala, K; Amaro, P.; Santos, J. P. (EPL (Europhysics Letters), 2014)
In electron scattering, the target form factors contribute significantly to the diffraction pattern and carry information on the target electromagnetic charge distribution. Here we show that the presence of electromagnetic radiation, as intense as currently available in free electron lasers, shifts the dependence of the target form factors by a quantity that depends on the number of photons absorbed or emitted by the electron as well as on the parameters of the electromagnetic radiation. As example, we show the impact of intense ultraviolet and soft X-ray radiation on elastic electron scattering by the Ne-like argon ion and by the xenon atom. We find that the shift brought by the radiation to the form factor is of the order of some percent. Our results may open up a new avenue to explore matter with the assistance of laser.
n/a

Application of Nanotechnology in Drug Delivery - Joana Silva; Fernandes, Alexandra R; Baptista, Pedro V (Application of Nanotechnology in Drug Delivery, 2014)
n/a
n/a

Evidence of one-way flow bioaccumulation of gold nanoparticles across two trophic levels - Miguel Larguinho; Daniela Correia; Mário Diniz; Pedro Baptista (Journal Of Nanoparticle Research, 2014)
This work reports a one-way flow bioaccumulation of gold nanoparticles (AuNPs) in aquatic organisms between two trophic levels. First, Dunaliella salina cells were exposed to citrate-capped AuNPs at different concentrations and during distinct exposure periods to assess internalization and behavior. Afterward, D. salina was incubated with both citrate-capped and functionalized (PEGylated) AuNPs for 24 h and later fed to Mytilus galloprovincialis. Analysis was carried out to assess Au content, histological differences and oxidative stress. These algae were fed to the model organism M. galloprovincialis (Mediterranean mussel) as it is considered of major importance for assessing toxic effects and bioaccumulation of different pollutants in aquatic environments. Elemental Au analysis revealed an uptake of about 76 % of the initial amount of AuNPs (and 36 % for PEGylated AuNPs) in microalgae. Mussel gills and digestive gland showed variable Au content in individuals fed with D. salina previously exposed to AuNPs. No significant morphological alterations were observed in D. salina or mussel digestive glands. Glutathione-s-transferase activity and total antioxidant capacity were assessed as oxidative stress biomarkers showing that AuNPs are not prone to trigger the induction of defenses against oxidative stress.
n/a
Keywords: Biomagnification; Environmental and health effects; FUNCTIONALIZATION; GLUTATHIONE S-TRANSFERASES; Gold nanoparticles; Microalgae; Mussels; Oxidative Stress; SIZE; Toxicity

Experimental optimization of a passive planar rhombic micromixer with obstacles for effective mixing in a short channel length - Fortunato, Elvira Maria Correia; Águas, Hugo Manuel Brito; Busani, Tito Livio; Martins, Rodrigo Ferrão de Paiva; Baptista, Pedro Miguel Ribeiro Viana (RSC Advances, 2014)
This paper presents the performance of a passive planar rhombic micromixer with diamond-shaped obstacles and a rectangular contraction between the rhombi. The device was experimentally optimized using water for high mixing efficiency and a low pressure drop over a wide range of Reynolds numbers (Re = 0.1-117.6) by varying geometrical parameters such as the number of rhombi, the distance between obstacles and the contraction width. Due to the large amount of data generated, statistical methods were used to facilitate and improve the results of the analysis. The results revealed a rank of factors influencing mixing efficiency: Reynolds number > number of rhombi > contraction width > interobstacles distance. The pressure drop measured after three rhombi depends mainly on Re and interobstacle distance. The resulting optimum geometry for the low Re regime has a contraction width of 101 mu m and inter-obstacles distance of 93 mu m, while for the high Re regime a contraction width of 400 v and inter-obstacle distance of 121 mu m are more appropriate. These mixers enabled 80% mixing efficiency creating a pressure drop of 6.0 Pa at Re = 0.1 and 5.1 x 10(4) Pa at Re = 117.6, with a mixer length of 2.5 mu m. To the authors' knowledge, the developed mixer is one of the shortest planar passive micromixers reported to date.
n/a
Keywords: EFFICIENCY; FLOW; GEOMETRIES; MICROCHANNELS; PDMS; REYNOLDS-NUMBER RANGE

Organometallic Compounds in Cancer Therapy: Past Lessons and Future Directions. - Fernandes, Maria Alexandra Núncio de Carvalho Ramos; Baptista, Pedro Miguel Ribeiro Viana (Anti-Cancer Agents In Medicinal Chemistry, 2014)
n/a
n/a

Ion sensing (EIS) real-time quantitative monitorization of isothermal DNA amplification - Bruno Veigas; Rita Branquinho; Vaz Pinto, Joana; Wojcik, Pawel Jerzy; Martins, Rodrigo Ferrão de Paiva; Fortunato, Elvira Maria Correia; Baptista, Pedro Miguel Ribeiro Viana (Biosensors & Bioelectronics, 2014)
Field-effect-based devices are becoming a basic structural element in a new generation of microbiosensors. Reliable molecular characterization of DNA and/or RNA is of paramount importance for disease diagnostics and to follow up alterations in gene expression profiles. The use of such devices for point-of-need diagnostics has been hindered by the need of standard or real-time PCR amplification procedures. The present work focuses on the development of a tantalum pentoxide (Ta2O5) based sensor for the real-time label free detection of DNA amplification via loop mediated isothermal amplification (LAMP) allowing for quantitative analysis of the cMYC proto-oncogene. The strategy based on the field effect sensor was tested within a range of 1 x 10(8)-10(11) copies of target DNA, and a linear relationship between the log copy number of the initial template DNA and threshold time was observed allowing for a semi-quantitative analysis of DNA template. The concept offers many of the advantages of isothermal quantitative real-time DNA amplification in a label free approach and may pave the way to point-of-care quantitative molecular analysis focused on ease of use and low cost.
Sem PDF. Fundacao para a Ciencia e a Tecnologia (FCT-MCTES) (PEst C/CTM/LA0025/2013-14, LA25-2013-2014; PEst-OE/SAU/UI0009/2011; PTDC/BBB-NAN/1812/2012; PTDC/QUI-QUI/112597/2009; PTDC/CTM-NAN/109877/2009; Blood-FET-PTDC/SAU-BEB/098125/2009; Multinox-EXCL/CTM-NAN/0201/2012) ERC (228144) SFRH/BD/78970/2011 SFRH/BD/45224/2008
Keywords: c-Myc; Cancer; DNA; EIS; Ion sensitive field effect sensors; Isothermal amplification; label free; LAMP; qRT-PCR; Real time; Tantalum pentoxide

The mixture of ``ecstasy{''} and its metabolites is toxic to human SH-SY5Y differentiated cells at in vivo relevant concentrations - Barbosa, Daniel Jose; Capela, Joao Paulo; Silva, Renata; Vilas-Boas, Vania; Ferreira, Luisa Maria; Branco, Paula Serio; Fernandes, Eduarda; Bastos, Maria de Lourdes; Carvalho, Felix (ARCHIVES OF TOXICOLOGY, 2014)
n/a
n/a

``Ecstasy{''}-induced toxicity in SH-SY5Y differentiated cells: role of hyperthermia and metabolites - Barbosa, Daniel Jose; Capela, Joao Paulo; Silva, Renata; Ferreira, Luisa Maria; Branco, Paula Serio; Fernandes, Eduarda; Bastos, Maria Lourdes; Carvalho, Felix (ARCHIVES OF TOXICOLOGY, 2014)
n/a
n/a

Histopathological findings on Carassius auratus hepatopancreas upon exposure to acrylamide: Correlation with genotoxicity and metabolic alterations - Miguel Larguinho; Costa, P. M.; Gonçalo Sousa; Diniz, Mário S.; Costa, Maria Helena; Pedro Baptista (Journal of Applied Toxicology, 2014)
Acrylamide is an amide used in several industrial applications making it easily discharged to aquatic ecosystems. The toxicity of acrylamide to aquatic organisms is scarcely known, although previous studies with murine models provided evidence for deleterious effects. To assess the effects of acrylamide to freshwater fish, goldfish (Carassius auratus L.) were exposed to several concentrations of waterborne acrylamide and analysed for genotoxic damage, alterations to detoxifying enzymes and histopathology. Results revealed a dose-dependent increase in total DNA strand breakage, the formation of erythrocytic nuclear abnormalities and in the levels of hepatic cytochrome P4501A (CYP1A) and glutathione S-transferase (GST) activity. In addition, acrylamide induced more histopathological changes to pancreatic acini than to the hepatic parenchyma, regardless of exposure concentration, whereas hepatic tissue only endured significant alterations at higher concentrations of exposure. Thus, results confirm the genotoxic potential of acrylamide to fish and its ability to induce CYP1A, probably as a direct primary defence mechanism. This strongly suggests the substance's pro-mutagenic potential in fish, similarly to what is known for rodents. However, the deleterious effects observed in the pancreatic acini, more severe than in the liver, could indicate a specific, albeit unknown toxic mechanism of acrylamide to fish that overran the organism's metabolic defences against a chemical agent rather than causing a general systemic failure.
Sem PDF. Portuguese Fundacao para a Ciencia e Tecnologia (FCT/MEC) PEst-OE/SAU/UI0009/2011 PEst-C/EQB/LA0006/2011 PTDC/BBB-NAN/1812/2012 SFRH/BD/64026/2009 SFRH/BPD/72564/2010
Keywords: ACRYLAMIDE; CYP1A; DNA damage; Goldfish; GST activity; Pancreatic toxicity

Nanodiagnostics: Leaving the research lab to enter the clinics? - Baptista, Pedro Viana (Diagnosis, 2014)
Nanotechnology has provided a plethora of valuable tools that can be applied for the detection of biomolecules and analytes relevant for diagnosis purposes - nanodiagnostics. This surging new field of molecular diagnostics has been revolutionizing laboratory procedures and providing new ways to assess disease biomarkers with increased sensitivity. While most of the reported nanodiagnostics systems are proof-of-concepts that demonstrate their efficacy in the lab, several nanodiagnostics platforms have already matured to a level that open the way for effective translation to the clinics. Nanodiagnostics platforms (e.g., gold nanoparticles containing systems) have been remarkably useful for the development of molecular diagnosis strategies for DNA/RNA detection and characterization, including systems suitable for point-of-care. How near are nanodiagnostics to go from the bench to the bedside?
n/a
Keywords: Gold nanoparticles; Molecular diagnostics; Nanodiagnostics; nanotechnology; Point-of-care

AuNPs for identification of molecular signatures of resistance - Bruno Veigas; Fernandes, Alexandra R; Pedro Baptista (Frontiers in Microbiology, 2014)
The increasing levels of drug resistance are one of biggest threats to overcome microbial infection. The ability to rapidly and accurately detect a given pathogen and its drug resistance profile is essential for the appropriate treatment of patients and for preventing further spread of drug-resistant strains. The predictive and informative value of these molecular markers needs to be translated into robust surveillance tools that correlate to the target and extent of resistance, monitor multiresistance and provide real time assessment at point-of-need. Rapid molecular assays for the detection of drug-resistance signatures in clinical specimens are based on the detection of specific nucleotide sequences and/or mutations within pre-selected biomarkers in the genome, indicative of the presence of the pathogen and/or associated with drug resistance. DNA and/or RNA based assays offer advantages over phenotypic assays, such as specificity and time from collection to result. Nanotechnology has provided new and robust tools for the detection of pathogens and more crucially to the fast and sensitive characterisation of molecular signatures of drug resistance. Amongst the plethora of nanotechnology based approaches, gold nanoparticles have prompt for the development of new strategies and platforms capable to provide valuable data at point-of-need with increased versatility but reduced costs. Gold nanoparticles, due to their unique spectral, optical and electrochemical properties, are one of the most widely used nanotechnology systems for molecular diagnostics. This review will focus on the use of gold nanoparticles for screening molecular signatures of drug resistance that have been reported thus far, and provide a critical evaluation of current and future developments of these technologies assisting pathogen identification and characterisation.
SCOPUSID:84987837082 PMID:25221547 WOS:000341570500001
Keywords: ASSAY; AUNPS; CLINICAL DIAGNOSTICS; DERIVATIZED GOLD NANOPARTICLES; DNA BIOSENSOR; Gold nanoparticles; Isothermal amplification; molecular diagnostics technologies; Multidrug resistance; MYCOBACTERIUM-TUBERCULOSIS COMPLEX; Nanodiagnostics; nanotechnology; PATHOGENS; ROLLING-CIRCLE AMPLIFICATION; STAPHYLOCOCCUS-AUREUS; Tuberculosis

AuNPs for identification of molecular signatures of resistance. - Bruno Veigas; Fernandes, Alexandra R; Baptista, Pedro V (Frontiers in Microbiology, 2014)
n/a
n/a

Gold-nanobeacons for gene therapy: Evaluation of genotoxicity, cell toxicity and proteome profiling analysis - João Conde; Miguel Larguinho; Ana Cordeiro; Raposo, Luís R.; Costa, Pedro M.; Susana Santos; Diniz, Mário S.; Fernandes, Alexandra R; Baptista, Pedro V (Nanotoxicology, 2014)
Antisense therapy is a powerful tool for post-transcriptional gene silencing suitable for down-regulating target genes associated to disease. Gold nanoparticles have been described as effective intracellular delivery vehicles for antisense oligonucleotides providing increased protection against nucleases and targeting capability via simple surface modification. We constructed an antisense gold-nanobeacon consisting of a stem-looped oligonucleotide double-labelled with 3′-Cy3 and 5′-Thiol-C6 and tested for the effective blocking of gene expression in colorectal cancer cells. Due to the beacon conformation, gene silencing was directly detected as fluorescence increases with hybridisation to target, which can be used to assess the level of silencing. Moreover, this system was extensively evaluated for the genotoxic, cytotoxic and proteomic effects of gold-nanobeacon exposure to cancer cells. The exposure was evaluated by two-dimensional protein electrophoresis followed by mass spectrometry to perform a proteomic profile and 3-(4,5-Dimethylthiazol-2- Yl)-2,5-Diphenyltetrazolium Bromide (MTT) assay, glutathione-S-transferase assay, micronucleus test and comet assay to assess the genotoxicity. This integrated toxicology evaluation showed that the proposed nanotheranostics strategy does not exhibit significant toxicity, which is extremely relevant when translating into in vivo systems.
info:eu-repo/grantAgreement/FCT/SFRH/SFRH%2FBD%2F70202%2F2010/PT# info:eu-repo/grantAgreement/FCT/SFRH/SFRH%2FBPD%2F72564%2F2010/PT# info:eu-repo/grantAgreement/FCT/SFRH/SFRH%2FBD%2F64026%2F2009/PT# info:eu-repo/grantAgreement/FCT/3599-PPCDT/127178/PT# info:eu-repo/grantAgreement/FCT/5876-PPCDTI/109877/PT# info:eu-repo/grantAgreement/FCT/3599-PPCDT/112597/PT# PEst-OE/SAU/UI0009/2011 PEst-C/EQB/LA0006/2011 SFRH/BD/62957/2009
Keywords: Antisense; cytotoxicity; DNA damage; Gene silencing; Gold nanoparticles; Proteomics

Photocurrent enhancement in thin a-Si: H solar cells via plasmonic light trapping - S. Morawiec; M. J. Mendes; S. A. Filonovich; T. Mateus; S. Mirabella; Águas, H.; Ferreira, I.; F. Simone; E. Fortunato; R. Martins; F. Priolo; I. Crupi (CLEO: Science and Innovations, 2014)
Photocurrent enhancement in thin a-Si:H solar cells due to the plasmonic light trapping is investigated, and correlated with the morphology and the optical properties of the self-assembled silver nanoparticles incorporated in the cells’ back reflector.

Eco-wall modular solutions for buildings - Amado, Miguel P.; Pinho, Fernando; Faria, Paulina; Ramalhete, Inês (9th International Masonry Conference, 2014)

Venetian Glass in Contemporary Art - Pires de Matos, A.; Wiley, R.; M. Troeira; C. Queiroz; Ruivo, A.; Paulino, N.; C. Laia (Study Days on Venetian Glass: Approximately 1600's. Volume: ATTI - Classe di Scienze Fisiche, Matematiche e Naturali, 2014)

Conceito de região funcional no contexto energético do território - espaço de cooperação rural - urbano - Poggi, Francesca; Amado, M. P. (PLURIS 2014, 2014)

Genetics of hypertrophic cardiomyopathy: advances and pitfalls in molecular diagnosis and therapy - Catarina Roma-Rodrigues; Alexandra R. Fernandes (The Application of Clinical Genetics, 2014)
Hypertrophic cardiomyopathy (HCM) is a primary disease of the cardiac muscle that occurs mainly due to mutations (>1,400 variants) in genes encoding for the cardiac sarcomere. HCM, the most common familial form of cardiomyopathy, affecting one in every 500 people in the general population, is typically inherited in an autosomal dominant pattern, and presents variable expressivity and age-related penetrance. Due to the morphological and pathological heterogeneity of the disease, the appearance and progression of symptoms is not straightforward. Most HCM patients are asymptomatic, but up to 25% develop significant symptoms, including chest pain and sudden cardiac death. Sudden cardiac death is a dramatic event, since it occurs without warning and mainly in younger people, including trained athletes. Molecular diagnosis of HCM is of the outmost importance, since it may allow detection of subjects carrying mutations on HCM-associated genes before development of clinical symptoms of HCM. However, due to the genetic heterogeneity of HCM, molecular diagnosis is difficult. Currently, there are mainly four techniques used for molecular diagnosis of HCM, including Sanger sequencing, high resolution melting, mutation detection using DNA arrays, and next-generation sequencing techniques. Application of these methods has proven successful for identification of mutations on HCM-related genes. This review summarizes the features of these technologies, highlighting their strengths and weaknesses. Furthermore, current therapeutics for HCM patients are correlated with clinically observed phenotypes and are based on the alleviation of symptoms. This is mainly due to insufficient knowledge on the mechanisms involved in the onset of HCM. Tissue engineering alongside regenerative medicine coupled with nanotherapeutics may allow fulfillment of those gaps, together with screening of novel therapeutic drugs and target delivery systems.
n/a

TupA: A Tungstate Binding Protein in the Periplasm of Desulfovibrio alaskensis G20 - Otrelo-Cardoso, Ana Rita; Nair, Rashmi R; Correia, Márcia A. S.; Rivas, Maria G.; Santos-Silva, Teresa (International Journal of Molecular Sciences, 2014)
The TupABC system is involved in the cellular uptake of tungsten and belongs to the ABC (ATP binding cassette)-type transporter systems. The TupA component is a periplasmic protein that binds tungstate anions, which are then transported through the membrane by the TupB component using ATP hydrolysis as the energy source (the reaction catalyzed by the ModC component). We report the heterologous expression, purification, determination of affinity binding constants and crystallization of the Desulfovibrio alaskensis G20 TupA. The tupA gene (locus tag Dde_0234) was cloned in the pET46 Enterokinase/Ligation-Independent Cloning (LIC) expression vector, and the construct was used to transform BL21 (DE3) cells. TupA expression and purification were optimized to a final yield of 10 mg of soluble pure protein per liter of culture medium. Native polyacrylamide gel electrophoresis was carried out showing that TupA binds both tungstate and molybdate ions and has no significant interaction with sulfate, phosphate or perchlorate. Quantitative analysis of metal binding by isothermal titration calorimetry was in agreement with these results, but in addition, shows that TupA has higher affinity to tungstate than molybdate. The protein crystallizes in the presence of 30% (w/v) polyethylene glycol 3350 using the hanging-drop vapor diffusion method. The crystals diffract X-rays beyond 1.4 Å resolution and belong to the P2(1) space group, with cell parameters a = 52.25 Å, b = 42.50 Å, c = 54.71 Å, β = 95.43°. A molecular replacement solution was found, and the structure is currently under refinement.
n/a

Cobalt Complexes with Pyrazole Ligands as Catalyst Precursors for the Peroxidative Oxidation of Cyclohexane: X-ray Absorption Spectroscopy Studies and Biological Applications - F. S. Silva, Telma; M. D. R. S. Martins, Luísa; Guedes da Silva, M. Fátima C.; Kuznetsov, Maxim L.; Alexandra R. Fernandes; Silva, Ana; Pan, Chun-Jern; Lee, Jyh-Fu; Hwang, Bing-Joe; J. L. Pombeiro, Armando (Chemistry – An Asian Journal, 2014)
n/a
n/a
Keywords: cobalt; cyclic voltammetry; cyclohexane oxidation; in vitro cytotoxicity; pyrazole based ligands; X-ray absorption spectroscopy

Boosting Locality in Multi-version Partial Data Replication - João A. Silva; João M. Lourenço; Hervé Paulino (Universidade Nova de Lisboa, 2014)

Emission of nanoparticles during friction stir welding (FSW) of aluminium alloys - Gomes, J.F.; Miranda, R.M.; Santos, T.J.; Carvalho, P.A. (Journal of Toxicology and Environmental Health - Part A: Current Issues, 2014)
n/a
Export Date: 27 February 2015

Friction Stir Welding assisted by electrical Joule effect - Santos, T.G.; Miranda, R.M.; Vilaça, P. (Journal of Materials Processing Technology, 2014)
n/a
Cited By :2Export Date: 27 February 2015CODEN: JMPTE

Friction stir welding assisted by electrical joule effect to overcome lack of penetration in aluminium alloys - Santos, T.G.; Miranda, R.M.; Vilaça, P. (17th Conference of the European Scientific Association on Material Forming, ESAFORM 2014, 2014)
n/a
Conference code: 105771Export Date: 27 February 2015CODEN: KEMAE

Fungal biodeterioration of stained-glass windows - Rodrigues, A.; Gutierrez-Patricio, S.; Miller, A.Z.; Saiz-Jimenez, C.; Wiley, R.; Nunes, D.; Vilarigues, M.; Macedo, MF (International Biodeterioration and Biodegradation, 2014)
n/a
Cited By :6Export Date: 5 June 2018

Innovative concept and application of EC probe for inspection of friction stir welds - Vilaça, P.; Santos, T.G.; Rosado, L.; Miranda, R.M. (International Journal of Microstructure and Materials Properties, 2014)
n/a
Export Date: 27 February 2015

A new NDT technique based on bacterial cells to detect micro surface defects - Santos, T.G.; Miranda, R.M.; De Carvalho, C.C.C.R. (NDT and E International, 2014)
n/a
Cited By :1Export Date: 27 February 2015CODEN: NDTIE

A non-conventional technique for evaluating welded joints based on the electrical conductivity - Santos, T.G.; Sorger, G.; Vilaça, P.; Miranda, R.M. (17th Conference of the European Scientific Association on Material Forming, ESAFORM 2014, 2014)
n/a
Conference code: 105771Export Date: 27 February 2015CODEN: KEMAE

An Overview of Inverted Colloidal Crystal Systems for Tissue Engineering - João, Carlos; Vasconcelos, Joana; Silva, Jorge Carvalho; Borges, João Paulo (Tissue Engineering Part B-Reviews, 2014)
Scaffolding is at the heart of tissue engineering but the number of techniques available for turning biomaterials into scaffolds displaying the features required for a tissue engineering application is somewhat limited. Inverted colloidal crystals (ICCs) are inverse replicas of an ordered array of monodisperse colloidal particles, which organize themselves in packed long-range crystals. The literature on ICC systems has grown enormously in the past 20 years, driven by the need to find organized macroporous structures. Although replicating the structure of packed colloidal crystals (CCs) into solid structures has produced a wide range of advanced materials (e.g., photonic crystals, catalysts, and membranes) only in recent years have ICCs been evaluated as devices for medical/pharmaceutical and tissue engineering applications. The geometry, size, pore density, and interconnectivity are features of the scaffold that strongly affect the cell environment with consequences on cell adhesion, proliferation, and differentiation. ICC scaffolds are highly geometrically ordered structures with increased porosity and connectivity, which enhances oxygen and nutrient diffusion, providing optimum cellular development. In comparison to other types of scaffolds, ICCs have three major unique features: the isotropic three-dimensional environment, comprising highly uniform and size-controllable pores, and the presence of windows connecting adjacent pores. Thus far, this is the only technique that guarantees these features with a long-range order, between a few nanometers and thousands of micrometers. In this review, we present the current development status of ICC scaffolds for tissue engineering applications.

Process developments in FSW - Santos, T.G.; Martins, J.; Mendes, L.; Miranda, R.M. (8th International Conference on Management Science and Engineering Management, ICMSEM 2014, 2014)
n/a
Conference code: 111489Export Date: 27 February 2015

Surface modification by solid state processing - Miranda, R.M.; Gandra, J.P.; Vilaca, P.; Quintino, L.; Santos, T.G. (Surface Modification by Solid State Processing, 2014)
n/a
Export Date: 27 February 2015

Surface reinforcement of AA5083-H111 by friction stir processing assisted by electrical current - Santos, T.G.; Lopes, N.; MacHado, M.; Vilaça, P.; Miranda, R.M. (Journal of Materials Processing Technology, 2014)
n/a
Export Date: 27 February 2015CODEN: JMPTE

Towards Novel Amino Acid-Base Contacts in Gene Regulatory Proteins: AraR – A Case Study - Correia, Isabel Lopes; Franco, Irina Saraiva; Isabel de Sá-Nogueira (PLoS ONE, 2014)
AraR is a transcription factor involved in the regulation of carbon catabolism in Bacillus subtilis. This regulator belongs to the vast GntR family of helix-turn-helix (HTH) bacterial metabolite-responsive transcription factors. In this study, AraR-DNA specific interactions were analysed by an in vitro missing-contact probing and validated using an in vivo model. We show that amino acid E30 of AraR, a highly conserved residue in GntR regulators, is indirectly responsible for the specificity of amino acid-base contacts, and that by mutating this residue it will be possible to achieve new specificities towards DNA contacts. The results highlight the importance in DNA recognition and binding of highly conserved residues across certain families of transcription factors that are located in the DNA-binding domain but not predicted to specifically contact bases on the DNA. These new findings not only contribute to a more detailed comprehension of AraR-operator interactions, but may also be useful for the establishment of a framework of rules governing protein-DNA recognition.
n/a

100% Renewable Cities: Transition Strategies. - Luis Miranda Mendes (Urban Futures Squaring Circles: Proceedings, International Conference on Urban Futures Squaring Circles 2050, 2014)

An Adaptive Java Runtime Environment for Cloud Computing - José Simão (Instituto Superior Técnico, 2014)

Affinity Tags in Protein Purification and Peptide Enrichment: An Overview - Pina, A. S.; Batalha, IL; Roque, A. C. A. (Protein Downstream Processing: Design, Development and Application of High and Low-Resolution Methods, 2014)
The reversible interaction between an affinity ligand and a complementary receptor has been widely explored in purification systems for several biomolecules. The development of tailored affinity ligands highly specific towards particular target biomolecules is one of the options in affinity purification systems. However, both genetic and chemical modifications on proteins and peptides widen the application of affinity ligand-tag receptor pairs towards universal capture and purification strategies. In particular, this chapter will focus on two case studies highly relevant for biotechnology and biomedical areas, namely, the affinity tags and receptors employed on the production of recombinant fusion proteins and the chemical modification of phosphate groups on proteins and peptides and the subsequent specific capture and enrichment, a mandatory step before further proteomic analysis.

Ag and Sn Nanoparticles to Enhance the Near-Infrared Absorbance of a-Si:H Thin Films - Gaspar, D; A. C. Pimentel; M. J. Mendes; T. Mateus; B. P. Falcão; J. P. Leitão; J. Soares; A. Araújo; A. Vicente; S. A. Filonovich; Águas, H.; R. Martins; et al. (Plasmonics, 2014)
Silver (Ag) and tin (Sn) nanoparticles (NPs) were deposited by thermal evaporation onto heated glass substrates with a good control of size, shape and surface coverage. This process has the advantage of allowing the fabrication of thin-film solar cells with incorporated NPs without vacuum break, since it does not require chemical processes or post-deposition annealing. The X-ray diffraction, TEM and SEM properties are correlated with optical measurements and amorphous silicon hydrogenated (a-Si:H) films deposited on top of both types of NPs show enhanced absorbance in the near-infrared. The results are interpreted with electromagnetic modelling performed with Mie theory. A broad emission in the near-infrared region is considerably increased after covering the Ag nanoparticles with an a-Si:H layer. Such effect may be of interest for possible down-conversion mechanisms in novel photovoltaic devices.

Al-doped ZnO nanostructured powders by emulsion detonation synthesis – Improving materials for high quality sputtering targets manufacturing - N. Neves; A. Lagoa; J. Calado; A.M. Botelho do Rego; E. Fortunato; R. Martins; Ferreira, I. (J. Eur. Ceram. Soc., 2014)
Emulsion detonation synthesis method was used to produce undoped and Al-doped ZnO nanostructured powders (0.5–2.0 wt.% Al2O3). The synthesized powders present a controlled composition and a morphology which is independent on the doping level. The XRD results indicate wurtzite as the single phase for undoped ZnO and the presence of gahnite as secondary phase for Al-doped ZnO powders. The sintering behavior of each powder was studied based on their linear shrinkage and shrinkage rate curves, showing the high sinterability of the powders. Activation energies for densification in the earlier stage were calculated for all compositions and possible sintering mechanisms are suggested depending on the doping level. The high chemical homogeneity and sinterability and the lower electrical resistivity of the bulk Al-doped sintered samples demonstrates the feasibility of emulsion detonation synthesis for the production of high quality Al-doped ZnO powders to be used in ceramic sputtering targets manufacture.

Application of Hyperthermia for Cancer Treatment: Recent Patents Review - Paula I P Soares; Ferreira, Isabel; Borges, João Paulo (Topics in Anti-Cancer Research, Vol. 3, 2014)
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 was early 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 (42-45ºC). Many patents have been registered in this area since the year 2000. This chapter presents the most relevant information organized in two main categories according to the use or not of nanotechnology. The patents without nanotechnology were divided into the following subcategories: 1) external Radio-Frequency devices; 2) hyperthermic perfusion; 3) frequency enhancers; 4) applying heat to the target site using a catheter; and 5) injection of magnetic and ferroelectric particles. The patents with nanotechnology were divided into three subcategories: 1) hyperthermia devices; 2) nanoparticles; and 3) nanostructures. The use of magnetic nanoparticles is a very promising treatment approach since it may be used for diagnostic and treatment. Magnetic nanoparticle could be applied to detect and diagnose the tumor and to carry a pharmacological active drug to be delivered in the tumor site or apply hyperthermia through an external magnetic field.

Application of hyperthermia for cancer treatment: recent patents review - Soares, PIP; Ferreira, IMM; J. P. M. R. Borges (Topics in anti-cancer research, 2014)
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 was early 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 (42-45ºC). Many patents have been registered in this area since the year 2000. This chapter presents the most relevant information organized in two main categories according to the use or not of nanotechnology.

Application of Nanotechnology in Drug Delivery - Silva, J.; Fernandes, A. R.; P.V. Baptista (Application of Nanotechnology in Drug Delivery, 2014)

ArsC3 from Desulfovibrio alaskensis G20, a cation and sulfate-independent highly efficient arsenate reductase - Nunes, C. I.; Brás, J.L.; Najmudin, S.; Moura, J. J. G.; Moura, I.; Carepo, M. (J Biol Inorg Chem, 2014)

AuNPs for identification of molecular signatures of resistance - B. Veigas; Fernandes, A. R.; P.V. Baptista (Front Microbiol, 2014)

Bacterial autolysins trim cell surface peptidoglycan to prevent detection by the Drosophila innate immune system - M. L. Atilano; P. M. Pereira; F. Vaz; M. J. Catalão; P. Reed; Grilo, I. R.; Sobral, R. G.; P. Ligoxygakis; M. G. Pinho; S. R. Filipe (eLife, 2014)

Biochemical, Stabilization and Crystallization Studies on a Molecular Chaperone (PaoD) Involved in the Maturation of Molybdoenzymes. - Otelo-Cardoso, AR; Schwuchow, V; Rodrigues, D.; E. J. Cabrita; Leimkühler, S; Romão, M.J.; Santos-Silva, T. (PLoS One, 2014)
Molybdenum and tungsten enzymes require specific chaperones for folding and cofactor insertion. PaoD is the chaperone of the periplasmic aldehyde oxidoreductase PaoABC. It is the last gene in the paoABCD operon in Escherichia coli and its presence is crucial for obtaining mature enzyme. PaoD is an unstable, 35 kDa, protein. Our biochemical studies showed that it is a dimer in solution with a tendency to form large aggregates, especially after freezing/thawing cycles. In order to improve stability, PaoD was thawed in the presence of two ionic liquids [C4mim]Cl and [C2OHmim]PF6 and no protein precipitation was observed. This allowed protein concentration and crystallization using polyethylene glycol or ammonium sulfate as precipitating agents. Saturation transfer difference – nuclear magnetic resonance (STD-NMR) experiments have also been performed in order to investigate the effect of the ionic liquids in the stabilization process, showing a clear interaction between the acidic ring protons of the cation and, most likely, negatively charged residues at the protein surface. DLS assays also show a reduction of the overall size of the protein aggregates in presence of ionic liquids. Furthermore, cofactor binding studies on PaoD showed that the protein is able to discriminate between molybdenum and tungsten bound to the molybdenum cofactor, since only a Mo-MPT form of the cofactor remained bound to PaoD.
n/a

Boronic acid-modified magnetic materials for antibody purification - Vijaykumar L Dhadge; Hussain, A.; A. M. Azevedo; M. R. Aires-Barros; Roque, A. C. A. (J. R. Soc. Interface, 2014)
Aminophenyl boronic acids can form reversible covalent ester interactions with cis-diol-containing molecules, serving as a selective tool for binding glycoproteins as antibody molecules that possess oligosaccharides in both the Fv and Fc regions. In this study, amino phenyl boronic acid (APBA) magnetic particles (MPs) were applied for the magnetic separation of antibody molecules. Iron oxide MPs were firstly coated with dextran to avoid non-specific binding and then with 3-glycidyloxypropyl trimethoxysilane to allow further covalent coupling of APBA (APBA_MP). When contacted with pure protein solutions of human IgG (hIgG) and bovine serum albumin (BSA), APBA_MP bound 170 ± 10 mg hIgG g−1 MP and eluted 160 ± 5 mg hIgG g−1 MP, while binding only 15 ± 5 mg BSA g−1 MP. The affinity constant for the interaction between hIgG and APBA_MP was estimated as 4.9 × 105 M−1 (Ka) with a theoretical maximum capacity of 492 mg hIgG adsorbed g−1 MP (Qmax), whereas control particles bound a negligible amount of hIgG and presented an estimated theoretical maximum capacity of 3.1 mg hIgG adsorbed g−1 MP (Qmax). APBA_MPs were also tested for antibody purification directly from CHO cell supernatants. The particles were able to bind 98% of IgG loaded and to recover 95% of pure IgG (purity greater than 98%) at extremely mild conditions.

Broadband photocurrent enhancement in a-Si:H solar cells with plasmonic back reflectors - S. Morawiec; M. J. Mendes; S. A. Filonovich; T. Mateus; S. Mirabella; Águas, H.; Ferreira, I.; F. Simone; E. Fortunato; R. Martins; F. Priolo; I. Crupi (Opt. Express, 2014)
Plasmonic light trapping in thin film silicon solar cells is a promising route to achieve high efficiency with reduced volumes of semiconductor material. In this paper, we study the enhancement in the opto-electronic performance of thin a-Si:H solar cells due to the light scattering effects of plasmonic back reflectors (PBRs), composed of self-assembled silver nanoparticles (NPs), incorporated on the cells’ rear contact. The optical properties of the PBRs are investigated according to the morphology of the NPs, which can be tuned by the fabrication parameters. By analyzing sets of solar cells built on distinct PBRs we show that the photocurrent enhancement achieved in the a-Si:H light trapping window (600 – 800 nm) stays in linear relation with the PBRs diffuse reflection. The best-performing PBRs allow a pronounced broadband photocurrent enhancement in the cells which is attributed not only to the plasmon-assisted light scattering from the NPs but also to the front surface texture originated from the conformal growth of the cell material over the particles. As a result, remarkably high values of Jsc and Voc are achieved in comparison to those previously reported in the literature for the same type of devices.

Cellulose-Based Liquid Crystalline Composite Systems - Borges, João Paulo; Canejo, João Paulo; Fernandes, Susete; Brogueira, Pedro; Godinho, Maria Helena (Nanocellulose Polymer Nanocomposites: Fundamentals and Applications, 2014)

Challenges and opportunities in the purification of recombinant tagged proteins - Pina, A. S.; Lowe, C. R.; Roque, A. C. A. (Biotechnology Advances, 2014)
The purification of recombinant proteins by affinity chromatography is one of the most efficient strategies due to the high recovery yields and purity achieved. However, this is dependent on the availability of specific affinity adsorbents for each particular target protein. The diversity of proteins to be purified augments the complexity and number of specific affinity adsorbents needed, and therefore generic platforms for the purification of recombinant proteins are appealing strategies. This justifies why genetically encoded affinity tags became so popular for recombinant protein purification, as these systems only require specific ligands for the capture of the fusion protein through a pre-defined affinity tag tail. There is a wide range of available affinity pairs “tag-ligand” combining biological or structural affinity ligands with the respective binding tags. This review gives a general overview of the well-established “tag-ligand” systems available for fusion protein purification and also explores current unconventional strategies under development.

Characterization of the antiproliferative potential and biological targets of a trans ketoimine platinum complex - Silva, J.; Rodrigues, A. S.; Videira, P. A.; Lasri, J.; Charmier, A. J.; Pombeiro, A. J. L.; Fernandes, A. R. (Inorg Chim Acta, 2014)

Cobalt complexes with pyrazole ligands as catalyst precursors for the peroxidative oxidation of cyclohexane: X-ray absorption spectroscopy studies and biological applications - Silva, T. F.; Martins, L. M.; Guedes da Silva, M. F.; Kuznetsov, M. L.; Fernandes, A. R.; A. Silva; Pan, C. J.; Lee, J. F.; Hwang, B. J.; Pombeiro, A. J. (Chem Asian J, 2014)

Color sensing ability of an amorphous silicon position sensitive detector array system - J. Contreras; R. Martins; P. Wojcik; S. Filonovich; Águas, H.; Gomes, L.; E. Fortunato; Ferreira, I. (Sensor Actuat. A-Phys., 2014)
The color sensing ability of a data acquisition prototype system integrating a 32 linear array of 1D amorphous silicon position sensitive detectors (PSD) was analyzed. Besides being used to reproduce a 3D profile of highly reflective surfaces, here we show that it can also differentiate primary red, green, blue (RGB) and derived colors. This was realized by using an incident beam with a RGB color combination and adequate integration times taking into account that a color surface mostly reflects its corresponding color. A mean colorimetric error of 25.7 was obtained. Overall, we show that color detection is possible via the use of this sensor array system, composed by a simpler amorphous silicon pin junction.

Combined effect of superplasticizer, silica fume and temperature in the performance of natural hydraulic lime grouts - Luis G. Baltazar; Fernando M.A. Henriques; Fernando Jorne; Maria Teresa Cidade (Construction & Building Materials, 2014)

Confinement Effects on the Dynamic Behavior of Poly(D,L-lactic acid) upon Incorporation in alpha-Cyclodextrin - M. T. Viciosa; N. M. Alves; T. Oliveira; M. Dionísio; J.F. Mano (the Journal of Physical Chemistry B, 2014)

Contrast Enhancement in Polymeric Electrochromic Devices Encompassing Room Temperature Ionic Liquids - Simone, Zanarini,; Garino, Nadia,; Nair, JIJEESH RAVI,; Francia, Carlotta,; Pawel Jerzy Wojcik; Luis; Elvira; Rodrigo, Martins,; Bodoardo, Silvia,; Penazzi, Nerino (International Journal of ELECTROCHEMICAL SCIENCE, 2014)

Contribution of the social sciences in the transformation of informal communities - Neves, S. O.; Rodrigues, P.; Amado, M. P. (40th IAHS World Congress in Housing – Sustainable Housing Construction, 2014)

Delineating binding modes of Gal/GalNAc and structural elements of the molecular recognition of tumor-associated mucin glycopeptides by the human macrophage galactose-type lectin. - Marcelo, Filipa; Fayna Garcia-Martin; Takahiko Matsushita; Sardinha, João; Helena Coelho; Anneloes Oude-Vrielink; Christiane Koller; Sabine André; Cabrita, Eurico J.; Hans-Joachim Gabius; Shin-Ichiro Nishimura; Jesús Jiménez-Barbero; et al. (Chem. Eur. J., 2014)
The human macrophage galactose-type lectin (MGL) is a key physiological receptor for the carcinoma-associated Tn antigen (GalNAc-α-1-O-Ser/Thr) in mucins. NMR and modeling-based data on the molecular recognition features of synthetic Tn-bearing glycopeptides by MGL are presented. Cognate epitopes on the sugar and matching key amino acids involved in the interaction were identified by saturation transfer difference (STD) NMR spectroscopy. Only the amino acids close to the glycosylation site in the peptides are involved in lectin contact. Moreover, control experiments with non-glycosylated MUC1 peptides unequivocally showed that the sugar residue is essential for MGL binding, as is Ca(2+) . NMR data were complemented with molecular dynamics simulations and Corcema-ST to establish a 3D view on the molecular recognition process between Gal, GalNAc, and the Tn-presenting glycopeptides and MGL. Gal and GalNAc have a dual binding mode with opposite trend of the main interaction pattern and the differences in affinity can be explained by additional hydrogen bonds and CH-π contacts involving exclusively the NHAc moiety.

Detection of Tumor-Associated Glycopeptides by Lectins: the Peptide Context Modulates Carbohydrate Recognition - David Madariaga; Nuria Martínez-Sáez; Víctor Jesús Somovilla; Helena Coelho; Jessika Valero González; Jorge Castro-López; Juan Luis Asensio; Jesus Jimenez-Barbero; Jesus H Busto; Alberto Avenoza; Marcelo, Filipa; Ramon Hurtado-Guerrero; et al. (ACS Chem. Biol., 2014)
Tn antigen (α-O-GalNAc-Ser/Thr) is a convenient cancer biomarker that is recognized by antibodies and lectins. This work yields remarkable results for two plant lectins in terms of epitope recognition and reveals that these receptors show higher affinity for Tn antigen when it is incorporated in the Pro-Asp-Thr-Arg (PDTR) peptide region of mucin MUC1. In contrast, a significant affinity loss is observed when Tn antigen is located in the Ala-His-Gly-Val-Thr-Ser-Ala (AHGVTSA) or Ala-Pro-Gly-Ser-Thr-Ala-Pro (APGSTAP) fragments. Our data indicate that the charged residues, Arg and Asp, present in the PDTR sequence establish noteworthy fundamental interactions with the lectin surface as well as fix the conformation of the peptide backbone, favoring the presentation of the sugar moiety toward the lectin. These results may help to better understand glycopeptide-lectin interactions and may contribute to engineer new binding sites, allowing novel glycosensors for Tn antigen detection to be designed

Determination of the active form of the tetranuclear copper sulfur cluster in nitrous oxide reductase - Johnston, E. M.; Dell'Acqua, S.; Ramos, S.; Pauleta, S. R.; Moura, I.; Solomon, E. I. (J Am Chem Soc, 2014)

Di- and tri-organotin(IV) complexes of arylhydrazones of methylene active compounds and their antiproliferative activity - Mahmudov, K. T.; da Silva, M. F. C. G.; Kopylovich, M. N.; Fernandes, A. R.; A. Silva; Mizar, A.; Pombeiro, A. J. L. (J Organomet Chem, 2014)

Dissecting the functional role of key residues in triheme cytochrome PpcA: a path to rational design of G. sulfurreducens strains with enhanced electron transfer capabilities - Morgado, L.; Lourenço, S; Londer, Y.Y.; Schiffer, M.; Pokkuluri, P.R.; Salgueiro, C.A. (PLoS One, 2014)
PpcA is the most abundant member of a family of five triheme cytochromes c7 in the bacterium Geobacter sulfurreducens (Gs) and is the most likely carrier of electrons destined for outer surface during respiration on solid metal oxides, a process that requires extracellular electron transfer. This cytochrome has the highest content of lysine residues (24%) among the family, and it was suggested to be involved in e-/H(+) energy transduction processes. In the present work, we investigated the functional role of lysine residues strategically located in the vicinity of each heme group. Each lysine was replaced by glutamine or glutamic acid to evaluate the effects of a neutral or negatively charged residue in each position. The results showed that replacing Lys9 (located near heme IV), Lys18 (near heme I) or Lys22 (between hemes I and III) has essentially no effect on the redox properties of the heme groups and are probably involved in redox partner recognition. On the other hand, Lys43 (near heme IV), Lys52 (between hemes III and IV) and Lys60 (near heme III) are crucial in the regulation of the functional mechanism of PpcA, namely in the selection of microstates that allow the protein to establish preferential e-/H(+) transfer pathways. The results showed that the preferred e-/H(+) transfer pathways are only established when heme III is the last heme to oxidize, a feature reinforced by a higher difference between its reduction potential and that of its predecessor in the order of oxidation. We also showed that K43 and K52 mutants keep the mechanistic features of PpcA by establishing preferential e-/H+ transfer pathways at lower reduction potential values than the wild-type protein, a property that can enable rational design of Gs strains with optimized extracellular electron transfer capabilities.

An early cytoplasmic step of peptidoglycan synthesis is associated to MreB in Bacillus subtilis - A. -S. Rueff; A. Chastanet; J. Dominguez-Escobar; Z. Yao; J. Yates; M. -V. Prejean; O. Delumeau; P. Noirot,; R. Wedlich-Soldner; S. R. Filipe; R. Carballido-Lopez (Mol. Microbiol, 2014)

Effects of renewables penetration on the security of Portuguese electricity supply - Gouveia, João Pedro; Dias, Luis; Martins, Inês; Júlia Seixas (Applied Energy, 2014)
The increase of renewables in power sector, together with the increase of their electricity share in final energy consumption, is changing our perception about energy security with diverse and contradictory statements. The Portuguese security of electricity supply is analyzed in this study by comparing selected indicators for 2. years before and after the high increase of onshore wind since 2005. Our goal is to find how the security of electricity supply was impacted by the penetration of renewables, taking a supply chain approach. Our analysis highlights that the penetration of renewables has decreased the energy dependence of the power sector by more than 20% between 2004 and 2011, while risks related to the concentration of natural gas suppliers and to the still-high share of fossil fuels suffering from price volatility are discussed. We observed a significant improvement in power interconnections with Spain, as well as an increase of the de-rated generation capacity margin, allowing proper management of renewable power intermittency if necessary, thereby improving power security. Although the share of intermittent renewables almost quadrupled in total installed capacity between those years, the indicators reveal an improvement in the quality of transport and distribution when delivering electricity to end-users. Although electricity prices increased, mainly due to taxes, the lack of energy efficiency is an aspect deserving improvement to alleviate the pressure on electricity security, mainly at high peak demands.
Keywords: Electricity; Energy security indicators; Portugal; Renewables

Effects of surfactants on the magnetic properties of iron oxide colloids - Paula I P Soares; Alves, Ana; Laura Pereira; Coutinho, Joana; Ferreira, Isabel; Novo, Carlos; Borges, João Paulo (Journal of Colloid and Interface Science, 2014)
Iron oxide nanoparticles are having been extensively investigated for several biomedical applications such as hyperthermia and magnetic resonance imaging. However, one of the biggest problems of these nanoparticles is their aggregation. Taking this into account, in this study the influence of three different surfactants (oleic acid, sodium citrate and Triton X-100) each one with various concentrations in the colloidal solutions stability was analyzed by using a rapid and facile method, the variation in the optical absorbance along time. The synthesized nanoparticles through chemical precipitation showed an average size of 9 nm and a narrow size distribution. X-ray diffraction pattern and Fourier Transform Infrared analysis confirmed the presence of pure magnetite. SQUID measurements showed superparamagnetic properties with a blocking temperature around 155 K. In addition it was observed that neither sodium citrate nor Triton X-100 influences the magnetic properties of the nanoparticles. On the other hand, oleic acid in a concentration of 64 mM decreases the saturation magnetization from 67 to 45 emu/g. Oleic acid exhibits a good performance as stabilizer of the iron oxide nanoparticles in an aqueous solution for 24 h, for concentrations that lead to the formation of the double layer.

Effects of surfactants on the magnetic properties of iron oxide colloids - Soares, PIP; A. M. R. Alves; L. C. J. Pereira; J. T. Coutinho; Ferreira, IMM; Novo, CMM; J. P. M. R. Borges (J. Colloid Interface Sci., 2014)
Iron oxide nanoparticles are having been extensively investigated for several biomedical applications such as hyperthermia and magnetic resonance imaging. However, one of the biggest problems of these nanoparticles is their aggregation. Taking this into account, in this study the influence of three different surfactants (oleic acid, sodium citrate and Triton X-100) each one with various concentrations in the colloidal solutions stability was analyzed by using a rapid and facile method, the variation in the optical absorbance along time. The synthesized nanoparticles through chemical precipitation showed an average size of 9 nm and a narrow size distribution. X-ray diffraction pattern and Fourier Transform Infrared analysis confirmed the presence of pure magnetite. SQUID measurements showed superparamagnetic properties with a blocking temperature around 155 K. In addition it was observed that neither sodium citrate nor Triton X-100 influences the magnetic properties of the nanoparticles. On the other hand, oleic acid in a concentration of 64 mM decreases the saturation magnetization from 67 to 45 emu/g. Oleic acid exhibits a good performance as stabilizer of the iron oxide nanoparticles in an aqueous solution for 24 h, for concentrations that lead to the formation of the double layer.

Efficiency and energetic performance on the rehabilitation of residential buildings - R. Martins; Amado, M. P. (40th IAHS World Congress in Housing – Sustainable Housing Construction,, 2014)

Electrochromic behavior of NiO thin films deposited by e-beam evaporation at room temperature - Pereira; Goncalves; Correia, Nuno,; Pinto, Joana,; Pereira; Martins; Elvira Fortunato (Solar Energy Materials and Solar Cells, 2014)

Electrospinning polycaprolactone dissolved in glacial acetic acid: Fiber production, nonwoven characterization, and In Vitro evaluation - Ferreira, José Luis; Susana Gomes; Célia Henriques; Borges, João Paulo; Silva, Jorge Carvalho (Journal of Applied Polymer Science, 2014)
The electrospinning of polycaprolactone (PCL) dissolved in glacial acetic acid and the characterization of the resultant nonwoven fiber mats is reported in this work. For comparison purposes, PCL fiber mats were also obtained by electrospinning the polymer dissolved in chloroform. Given the processing parameters chosen, results show that 14 and 17 wt % PCL solutions are not viscous enough and yield beaded fibers, 20 and 23 wt % solutions give rise to high quality fibers and 26 wt % solutions yield mostly irregular and fused fibers. The nonwoven mats are highly porous, retain the high tensile strain of PCL, and the fibers are semicrystalline. Cells adhere and proliferate equally well on all mats, irrespective of the solvent used in their production. In conclusion, mats obtained by electrospinning PCL dissolved in acetic acid are also a good option to consider when producing scaffolds for tissue engineering. Moreover, acetic acid is miscible with polar solvents, which may allow easier blending of PCL with hydrophilic polymers and therefore achieve the production of electrospun nanofibers with improved properties.

Energy Efficiency Challenges: The Linkage between the Past and the Future, for Low Carbon Historic Centres in Portugal - Vera Gregório; Júlia Seixas; Darren Robinson; Gavin Long; Gouveia, João Pedro (Urban Futures Squaring Circles: Proceedings, International Conference on Urban Futures Squaring Circles 2050, 2014)

Epitope mapping of imidazolium cation in ionic liquid-protein interactions unveils the balance between hydrophobicity and electrostatics towards protein destabilisation - Silva, M; Figueiredo, AM; E. J. Cabrita (Physical Chemistry Chemical Physics, 2014)
We investigated imidazolium-based ionic liquid (IL) interactions with human serum albumin (HSA) to discern the level of cation interactions towards protein stability. STD-NMR spectroscopy was used to observe the imidazolium ILs protons involved in direct binding and to identify the interactions responsible for changes in Tm as accessed by differential scanning calorimetry (DSC). Cations influence protein stability less than anions but still significantly. It was found that longer alkyl side chains of imidazolium-based ILs (more hydrophobic) are associated with a higher destabilisation effect on HSA than short-alkyl groups (less hydrophobic). The reason for such destabilisation lies on the increase surface contact area of the cation with the protein, particularly on the hydrophobic contacts promoted by the terminus of the alkyl chain. The relevance of the hydrophobic contacts is clearly demonstrated by the introduction of a polar moiety in the alkyl chain: a methoxy or alcohol group. Such structural modification reduces the degree of hydrophobic contacts with HSA explaining the lesser extent of protein destabilisation when compared to longer alkyl side chain groups: above [C2mim]+. Competition STD-NMR experiments using [C2mim]+, [C4mim]+ and [C2OHmim]+ also validate the importance of the hydrophobic interactions. The combined effect of cation and anion interactions was explored using 35Cl NMR. Such experiments show that the nature of the cation has no influence in the anion-protein contacts, still the nature of the anion modulates the cation-protein interaction. Herein we propose that more destabilising anions are likely to be a result of a partial contribution from the cation as a direct consequence of the different levels of interaction (cation-anion pair and cation-protein).

Eu3+ luminescence in aluminophosphate glasses - Nico C; Fernandes R.; Graça M.P.F.; Elisa M.; Sava B.A.; Monteiro R.C.C.; Rino L.; Monteiro T. (Journal of Luminescence, 2014)
With a 4f6 electronic configuration, europium ions in the trivalent charge state are known to be efficient activators in wide band gap matrices. Embedded in the aluminophosphate (Li2O–BaO–Al2O3–La2O3–P2O5) glasses the optically activated Eu3+ ions lead to intense room temperature orange/red luminescence with 16–23 Cd/m2 by using ultraviolet pumping. The as-prepared and heat treated europium doped glasses for temperatures below and above Tg were studied by room temperature Raman spectroscopy, absorption, photoluminescence excitation, temperature dependent and time dependent photoluminescence. When the samples are excited by 325 nm wavelength photons, an enhancement of the red luminescence intensity by ca. one order of magnitude was found to occur for temperatures between 14 K and 350 K, for all the doped glasses. On the other hand, by using resonant excitation on the 5L6 Eu3+ excited state (λexc~390 nm) the ion emission intensity was found to be nearly constant for temperatures up to 500 K. For higher temperatures a steeper decrease of the luminescence intensity occurs due to non-radiative competitive channels described by activation energies of ca. 235 meV and 450 meV by using 325 and 390 nm wavelength photons as excitation, respectively. The lifetime of the 5D0 level in these glasses is ca. 2.93 ms. A discussion of the thermal population and de-excitation mechanisms is performed.

Evaluation of the optoelectronic properties and corrosion behavior of Al2O3-doped ZnO films prepared by dc pulsed magnetron sputtering - Zubizarreta, C.,; Berasategui, E. G.,; Bayón, R.,; Escobar Galindo, R.,; Barros, R.,; Gaspar, Diana,; Nunes, D.,; Calmeiro, T.,; Martins; Fortunato; Barriga, J. (Journal of Physics D: Applied Physics, 2014)

Evidence for interaction between the triheme cytochrome PpcA from Geobacter sulfurreducens and anthrahydroquinone-2,6-disulfonate, an analog of the redox active components of humic substances - Dantas, J.M.; Morgado, L.; Catarino, T.; Kokhan, O; Pokkuluri, P.R.; Salgueiro, C.A. (Biochim Biophys Acta, 2014)
The bacterium Geobacter sulfurreducens displays an extraordinary respiratory versatility underpinning the diversity of electron donors and acceptors that can be used to sustain anaerobic growth. Remarkably, G. sulfurreducens can also use as electron donors the reduced forms of some acceptors, such as the humic substance analog anthraquinone-2,6-disulfonate (AQDS), a feature that confers environmentally competitive advantages to the organism. Using UV-visible and stopped-flow kinetic measurements we demonstrate that there is electron exchange between the triheme cytochrome PpcA from Gs and AQDS. 2D-(1)H-(15)N HSQC NMR spectra were recorded for (15)N-enriched PpcA samples, in the absence and presence of AQDS. Chemical shift perturbation measurements, at increasing concentration of AQDS, were used to probe the interaction region and to measure the binding affinity of the PpcA-AQDS complex. The perturbations on the NMR signals corresponding to the PpcA backbone NH and heme substituents showed that the region around heme IV interacts with AQDS through the formation of a complex with a definite life time in the NMR time scale. The comparison of the NMR data obtained for PpcA in the presence and absence of AQDS showed that the interaction is reversible. Overall, this study provides for the first time a clear illustration of the formation of an electron transfer complex between AQDS and a G. sulfurreducens triheme cytochrome, shedding light on the electron transfer pathways underlying the microbial oxidation of humics.

Exosome in tumour microenvironment: overview of the crosstalk between normal and cancer cells - Roma-Rodrigues, C.; Fernandes, A. R.; P.V. Baptista (Biomed Res Int, 2014)

Exploring the potential of magnetic antimicrobial agents for water disinfection - Ana S Pina; Batalha, Íris L.; Cláudia S M Fernandes; Matheus A Aoki; Roque, Ana C A (Water Research, 2014)
Industrial and urban activities yield large amounts of contaminated groundwater, which present a major health issue worldwide. Infectious diseases are the most common health risk associated with drinking-water and wastewater remediation is a major concern of our modern society. The field of wastewater treatment is being revolutionized by new nano-scale water disinfection devices which outperform most currently available technologies. In particular, iron oxide magnetic nanoparticles (MNPs) have been widely used in environmental applications due to their unique physical–chemical properties. In this work, poly(ethylene) glycol (PEG)-coated MNPs have been functionalized with (RW)3, an antimicrobial peptide, to yield a novel magnetic-responsive support with antimicrobial activity against Escherichia coli K-12 DSM498 and Bacillus subtilis 168. The magnetic-responsive antimicrobial device showed to be able to successfully disinfect the surrounding solution. Using a rapid high-throughput screening platform, the minimal inhibitory concentration (MIC) was determined to be 500 μM for both strains with a visible bactericidal effect.

An extracellular polymer at the interface of magnetic bioseparations - Dhadge, VL; Morgado, PI; Freitas, F; Reis, M. A.; A. M. Azevedo; Aires-Barros, R.; Roque, A. C. A. (Journal of the Royal Society Interface, 2014)
FucoPol, a fucose-containing extracellular polysaccharide (EPS) produced by bacterium Enterobacter A47 using glycerol as the carbon source, was employed as a coating material for magnetic particles (MPs), which were subsequently functionalized with an artificial ligand for the capture of antibodies. The performance of the modified MPs (MP–EPS-22/8) for antibody purification was investigated using direct magnetic separation alone or combined with an aqueous two-phase system (ATPS) composed of polyethylene glycol (PEG) and dextran. In direct magnetic capturing, and using pure protein solutions of human immunoglobulin G (hIgG) and bovine serum albumin (BSA), MP–EPS-22/8 bound 120 mg hIgG g−1 MPs, whereas with BSA only 10 ± 2 mg BSA g−1 MPs was achieved. The hybrid process combining both the ATPS and magnetic capturing leads to a good performance for partitioning of hIgG in the desired phase as well as recovery by the magnetic separator. The MPs were able to bind 145 mg of hIgG g−1 of particles which is quite high when compared with direct magnetic separation. The theoretical maximum capacity was calculated to be 410 ± 15 mg hIgG adsorbed g−1 MPs with a binding affinity constant of 4.3 × 104 M−1. In multiple extraction steps, the MPs bound 92% of loaded hIgG with a final purity level of 98.5%. The MPs could easily be regenerated, recycled and re-used for five cycles with only minor loss of capacity. FucoPol coating allowed both electrostatic and hydrophobic interactions with the antibody contributing to enhance the specificity for the targeted products.

Formation of Photoluminescent Lead Bromide Nanoparticles on Aluminoborosilicate Glass - Ruivo, A.; Andrade, S.; Rocha, J.; C. Laia; Pina, F (Journal of Physical Chemistry C, 2014)

Framework Support for the Efficient Implementation of Multi-Version Algorithms - Ricardo J. Dias; Vale, Tiago M.; João M. Lourenço (Transactional Memory: Foundations, Algorithms, Tools, and Applications, 2014)
Software Transactional Memory algorithms associate metadata with the memory locations accessed during a transaction’s lifetime. This metadata may be stored in an external table and accessed by way of a function that maps the address of each memory location with the table entry that keeps its metadata (this is the out-place or external scheme); or alternatively may be stored adjacent to the associated memory cell by wrapping them together (the in-place scheme). In transactional memory multi-version algorithms, several versions of the same memory location may exist. The efficient implementation of these algorithms requires a one-to-one correspondence between each memory location and its list of past versions, which is stored as metadata. In this chapter we address the matter of the efficient implementation of multi-version algorithms in Java by proposing and evaluating a novel in-place metadata scheme for the Deuce framework. This new scheme is based in Java Bytecode transformation techniques and its use requires no changes to the application code. Experimentation indicates that multi-versioning STM algorithms implemented using our new in-place scheme are in average 6× faster than when implemented with the out-place scheme.
To appear

Fungal Biodeterioration of Paper: How are Paper and Book Conservators Dealing with it? An International Survey - Sequeira, SO; E. J. Cabrita; Macedo, MF (Restaurator. International Journal for the Preservation of Library and Archival Material, 2014)
Paper biodeterioration by fungi has always been a concern in archives, libraries and museums. Several guidelines have been published regarding the prevention of fungal development in paper collections and recovery of affected objects, but what is actually being implemented from the literature by worldwide paper and book conservators? How common is this type of biodeterioration? What needs to be further studied? In order to access this information we conducted an online international questionnaire with participants from 20 different countries. The results show that fungal biodeterioration is highly common in paper collections. All of the respondents already had to deal with paper deteriorated by fungi, and although the vast majority uses active measures to prevent fungal development, most of them have already experienced active fungal infestations. The mainly used preventive measures are the ones concerned with the control of the environmental conditions in storage and display rooms. Drying the affected paper objects and applying 70% ethanol are the most preferred options to stop active fungal growth. The study of non-toxic and safer antifungals is considered here as the most relevant research topic in the area of paper biodeterioration by fungi, meaning that the options currently available are not totally satisfactory.

Genetics of hypertrophic cardiomyopathy: advances and pitfalls in molecular diagnosis and therapy - Roma-Rodrigues, C.; Fernandes, A. R. (Appl Clin Genet, 2014)

Gold Nanoparticles as (bio)chemical Sensors - Miguel Peixoto de Almeida; Eulália Pereira; Pedro Baptista; Inês Gomes; Sara Figueiredo; Leonor Soares; Ricardo Franco (Comprehensive Analytical Chemistry; Gold Nanoparticles in Analytical Chemistry, 2014)

Gold-nanobeacons for gene therapy: evaluation of genotoxicity, cell toxicity and proteome profiling analysis - J. Conde; M. Larguinho; Cordeiro, A.; Raposo, L. R.; Costa, P. M.; Santos, S.; Diniz, M. S.; Fernandes, A. R.; P.V. Baptista (Nanotoxicology, 2014)

HIGHLY EFFICIENT NANOPLASMONIC SERS ON CARDBOARD PACKAGING SUBSTRATES - Araújo, Andreia; Caro, Carlos; Mendes, Manuel J.; Nunes, Daniela; Elvira Fortunato; Ricardo Franco; Hugo Águas; Rodrigo Martins (Nanotechnology, 2014)

How Biology handles nitrite - Maia, L.; Moura, J. J. G. (Chem Rev, 2014)

Hybrid monoliths for magnetically-driven protein separations - Barroso, Telma; Casimiro, Teresa; Ferraria, A.; Mattioli, F.; Aguiar-Ricardo, Ana; Roque, ACA. (Adv. Funct. Mater., 2014)
Monoliths represent powerful platforms for isolation of large molecules with high added value. This work presents a hybrid approach for antibody (Ab) capture and release. Using mostly natural polymers and clean processes, it is possible to create macroporous monoliths with well-defined porous networks, tuneable mechanical properties, and easy functionalization with a biomimetic ligand specific for Ab. Magnetic nanoparticles (MNPs) are embedded on the monolith network to confer a controlled magnetic response that facilitates and accelerates Ab recovery in the elution step. The hybrid monolithic systems prepared with agarose or chitosan/poly(vinyl alcohol) (PVA) blends exhibit promising binding capacities of Abs directly from cell-culture extracts (120 ± 10 mg Ab g−1 support) and controlled Ab magnetically-assisted elution yielding 95 ± 2% recovery. Moreover, a selective capture of mAbs directly from cell culture extracts is achieved yielding a final mAb preparation with 96% of purity.

Incremental Housing as a method to the Sustainable Habitat - Neves, Sofia O.; Amado, M. P. (30th International PLEA, 2014)

The influence of fibril composition and dimension on the performance of paper gated oxide transistors - Pereira; Gaspar, Diana,; Guerin, D.,; Delattre, A.,; Fortunato; R. Martins (Nanotechnology, 2014)

Influence of Nanoscale Confinement on the Molecular Mobility of Ibuprofen - A. R. Brás; I. M. Fonseca; M. Dionísio; A. Schonhals; F. Affouard; N. T. Correia (The Journal of Physical Chemistry C, 2014)

Influence of respiratory substrate in carbon steel corrosion by a sulphate reducing prokaryote model organism - Dall`Agnol, L.; Cordas, C.; Moura, J. J. G. (Bioelectrochemistry, 2014)

Injection capacity of hydraulic lime grouts in different porous media - Fernando Jorne; Fernando M.A. Henriques; Luis G. Baltazar (Materials and Structures (Accepted with ongoing revision), 2014)

Insights into the mechanisms underlying the antiproliferative potential of a Co(II) coordination compound bearing 1,10-phenanthroline-5,6-dione: DNA and protein interaction studies - Luis, D. V.; Silva, J.; Tomaz, A. I.; de Almeida, R. F.; M. Larguinho; P.V. Baptista; Martins, L. M.; Silva, T. F.; Borralho, P. M.; Rodrigues, C. M.; Rodrigues, A. S.; Pombeiro, A. J.; et al. (J Biol Inorg Chem, 2014)

InSMART - Integrative Smart City Planning - The case of Households in Évora - Gouveia, João Pedro; Nuno Bilo; Gargiulo, Maurizio; George Giannakidis; Vera Gregório; Iron Duncan; Vera Nunes; Darren Robinson; Júlia Seixas; António Valentim (Urban Futures Squaring Circles: Proceedings, International Conference on Urban Futures Squaring Circles 2050,, 2014)
European policy has acknowledged the significance of local and regional communities for the deployment of new low carbon technologies and their potential for sustainable energy production and use. Several initiatives and programmes (e.g. Covenant of Mayors) have been set up to engage European cities in the effort towards a low carbon future. At the same time, there is a critical need to improve comprehensive city planning driven by an integrated approach and focused on cost benefit assessment towards sustainable energy use. Hence, innovative tools and models to assess and perform in-depth analysis of the alternative measures towards efficient energy use, will help pave the way to fully capture the potential of each city in the most efficient (economically, socially and technically) way. The InSMART concept brings together four European cities: Évora (Portugal), Cesena (Italy), Nottingham (UK) and Trikala (Greece), and scientific organizations of these countries, to establish a methodology for enhancing sustainable planning for city needs through an integrative and multidisciplinary planning approach, aiming to developing detailed sustainable energy action plans. Such an approach will identify the optimum mix of short, medium and long term projects and investments, addressing the efficiency of energy flows across various city sectors with regards to economic, environmental and social criteria and will highlight priority actions. Tools and models, like Geographic Information System, buildings models (CitySim and EnergyPlus) and transport-based energy and carbon model, as well as a technological partial equilibrium energy model (TIMES), are used to analyse, all the relevant sectors (buildings, industries, transports, waste and water management). Furthermore, the cities buildings stocks are being characterized through an extensive 110-question survey (around 410 door-to-door interviews) and will be modelled through a typology approach. Four hundred 20- question surveys are also being carried out to evaluate transport and mobility patterns, supported on travel diaries and fulfilling different quotas for several variables (geographic location, days of the week, age and working status) in order to assure representativeness of the data collected. The main differences between rural and urban areas results from the building surveys and high-resolution electricity consumption from smart meters for the Portuguese city of Évora are highlighted.

Integrated technological-economic modeling platform for energy and climate policy analysis - Fortes, Patricia; Rui Pereira; Pereira, Alfredo; Júlia Seixas (Energy, 2014)
CGE (computable general equilibrium) and bottom-up models each have unique strengths and weakness in evaluating energy and climate policies. This paper describes the development of an integrated technological, economic modeling platform (HYBTEP), built through the soft-link between the bottom-up TIMES (The Integrated MARKAL-EFOM system) and the CGE GEM-E3 models. HYBTEP combines cost minimizing energy technology choices with macroeconomic responses, which is essential for energy-climate policy assessment. HYBTEP advances on other hybrid tools by assuming 'full-form' models, integrating detailed and extensive technology data with disaggregated economic structure, and 'full-link', i.e., covering all economic sectors. Using Portugal as a case study, we examine three scenarios: (i) the current energy-climate policy, (ii) a CO2 tax, and (iii) renewable energy subsidy, with the objective of assessing the advantages of HYBTEP vis-à-vis bottom-up approach. Results show that the economic framework in HYBTEP partially offsets the increase or decrease in energy costs from the policy scenarios, while TIMES is very sensitive to energy services-price elasticities, setting a wide range of results. HYBTEP allows the computation of the economic impacts of policies in a technological detailed environment. The hybrid platform increases transparency of policy analysis by making explicit the mechanisms through which energy demand evolves, resulting in high confidence for decision-making. © 2014 Elsevier Ltd.
n/a
Keywords: Bottom-up; Energy-climate policy; Hybrid modeling; Top-down

Integration of Gold nanoparticles and liposomes for combined anti-cancer drug delivery - Figueiredo, S.; Cabral, R.; Luis, D.; Fernandes, A. R.; P.V. Baptista (Nanomedicine, 2014)

Integrative Smart City Planning - Buildings and Mobility in Évora - Gouveia, João Pedro; Júlia Seixas; Nuno Bilo; António Valentim; Vera Nunes; George Giannakidis; Darren Robinson; Duncan Irons; Gargiulo, Maurizio (4th IAEE European Energy Conference - Sustainable Energy Policy and Strategies for Europe, 2014)

The interaction of polymer-coated magnetic nanoparticles with seawater - Kadar, E.; Batalha, Íris L.; Fisher, A.; Roque, A. C. A. (Science of The Total Environment, 2014)
Laboratory studies were conducted to evaluate the interaction between bare and polymer-coated magnetic nanoparticles (MNPs) with various environmentally relevant carrying solutions including natural oceanic seawater with and without addition of algal exopolymeric substances (EPS). The MNPs were coated with three different stabilising agents, namely gum Arabic (GA-MNP), dextran (D-MNP) and carboxymethyl-dextran (CMD-MNP). The colloidal stability of the suspensions was evaluated over 48 h and we demonstrated that: (i) hydrodynamic diameters increased over time regardless of carrying solution for all MNPs except the GA-coated ones; however, the relative changes were carrying solution- and coat-dependent; (ii) polydispersity indexes of the freshly suspended MNPs are below 0.5 for all coated MNPs, unlike the much higher values obtained for the uncoated MNPs; (iii) freshly prepared MNP suspensions (both coated and uncoated) in Milli-Q (MQ) water show high colloidal stability as indicated by zeta-potential values below -30 mV, which however decrease in absolute value within 48 h for all MNPs regardless of carrying solution; (iv) EPS seems to "stabilise" the GA-coated and the CMD-coated MNPs, but not the uncoated or the D-coated MNPs, which form larger aggregates within 48 h; (v) despite this aggregation, iron (Fe)-leaching from MNPs is sustained over 48h, but remained within the range of 3-9% of the total iron-content of the initially added MNPs regardless of suspension media and capping agent. The environmental implications of our findings and biotechnological applicability of MNPs are discussed.

INTERDIGITATED CAPACITIVE IMMUNOSENSORS WITH PVDF IMMOBILIZATION LAYERS - Sanguino P,; Monteiro T,; Marques F,; Dias CJ,; Igreja R,; Franco R, (IEEE SENSORS JOURNAL, 2014)

Ion Jelly Conductive Properties Using Dicyanamide-Based Ionic Liquids - T. Carvalho; V. Augusto; Rocha, A.; Lourenco, N. M. T.; N. T. Correia; S. Barreiros; P. Vidinha; E. J. Cabrita; Dionisio, M. (Journal of Physical Chemistry B, 2014)
The thermal behavior and transport properties of several ion jellys (IJs), a composite that results from the combination of gelatin with an ionic liquid (IL), were investigated by dielectric relaxation spectroscopy (DRS), differential scanning calorimetry (DSC), and pulsed field gradient nuclear magnetic resonance spectroscopy (PFG NMR). Four different ILs containing the dicyanamide anion were used: 1-butyl-3-methylimidazolium dicyanamide (BMIMDCA), 1-ethyl-3-methylimidazolium dicyanamide (EMIMDCA), 1-butyl-1-methylpyrrolidinium dicyanamide (BMPyrDCA), and 1-butylpyridinium dicyanamide (BPyDCA); the bulk ILs were also investigated for comparison. A glass transition was detected by DSC for all materials, ILs and IJs, allowing them to be classified as glass formers. Additionally, an increase in the glass transition temperature upon dehydration was observed with a greater extent for IJs, attributed to a greater hindrance imposed by the gelatin matrix after water removal, rendering the IL less mobile. While crystallization is observed for some ILs with negligible water content, it was never detected for any IJ upon thermal cycling, which persist always as fully amorphous materials. From DRS measurements, conductivity and diffusion coefficients for both cations (D+) and anions (D–) were extracted. D+ values obtained by DRS reveal excellent agreement with those obtained from PFG NMR direct measurements, obeying the same VFTH equation over a large temperature range (ΔT ≈ 150 K) within which D+ varies around 10 decades. At temperatures close to room temperature, the IJs exhibit D values comparable to the most hydrated (9%) ILs. The IJ derived from EMIMDCA possesses the highest conductivity and diffusion coefficient, respectively, 10–2 S·cm–1 and 10–10 m2·s–1. For BMPyrDCA the relaxational behavior was analyzed through the complex permittivity and modulus formalism allowing the assignment of the detected secondary relaxation to a Johari–Goldstein process. Besides the relevant information on the more fundamental nature providing physicochemical details on ILs behavior, new doorways are opened for practical applications by using IJ as a strategy to produce novel and stable electrolytes for different electrochemical devices.
n/a

Ion jelly conductive properties using dicyanamide-based ionic liquids - T. Carvalho; V. Augusto; Rocha, A.; N. M. T. Lourenço; N. T. Correia; S. Barreiros; P. Vidinha; E. J. Cabrita; M. Dionísio (The Journal of Physical Chemistry B, 2014)

Ion sensing (EIS) real-time quantitative monitorization of isothermal DNA amplification - Veigas, Bruno,; Branquinho, R.,; Pinto, Joana,; Wojcik, Pawel Jerzy,; Martins; Fortunato; Pedro V. Baptista (Biosensors and Bioelectronics, 2014)

LOCALIZED SURFACE PLASMON RESONANCE (LSPR) BIOSENSING USING GOLD NANOTRIANGLES: DETECTION OF DNA HYBRIDIZATION EVENTS AT ROOM-TEMPERATURE - Soares L,; Csáki A,; Fritzsche W,; Flores Orfeu; Franco R,; Pereira E, (Analyst, 2014)

Low Cost Adaptive Housing Model - Ramalhete, I.; Amado, M. P.; Farias, Hugo (40th IAHS World Congress in Housing – Sustainable Housing Construction, 2014)

A low cost, safe, disposable, rapid and self-sustainable paper-based platform for diagnostic testing: lab-on-paper - Costa; Veigas, Bruno,; Jacob, Jorge M.,; Santos, GMC,; Santos, GMC,; Baptista, Ana Catarina,; Martins; Inacio, Joao,; E. Fortunato (Nanotechnology, 2014)

Luminescent alkynyl-gold(I) coumarin derivatives and their biological activity - Julià Arcau; Vincent Andermark; Elisabet Aguiló; Albert Gandioso; Artur Moro; Mario Cetina; João Carlos Lima; Kari Rissanen; Ingo Ottb; Laura Rodríguez (Dalton Transactions, 2014)
Luminescent alkynyl-gold(I) coumarin derivatives and their biological activity The synthesis and characterization of three propynyloxycoumarins are reported in this work together with the formation of three different series of gold(I) organometallic complexes. Neutral complexes are constituted by water soluble phosphines (PTA and DAPTA) which confer water solubility to them. The X-ray crystal structure of 7-(prop-2-in-1-yloxy)-1-benzopyran-2-one and its corresponding dialkynyl complex is also shown and the formation of rectangular dimers for the gold derivative in the solid state can be observed. A detailed analysis of the absorption and emission spectra of both ligands and complexes allows us to attribute the luminescent behaviour to the coumarin organic ligand. Moreover, the presence of the gold(I) metal atom seems to be responsible for an increase of coumarin phosphorescence emission. The biological activity of the complexes showed that the anionic complexes triggered strong cytotoxic effects in two different cell lines whereas the neutral gold alkynyl complexes led to lower effects against tumor cell growth. Thioredoxin reductase (TrxR) inhibition was very strong in the case of the neutral complexes (IC50 values below 0.1 μM) but moderate for the anionic complexes (IC50 values above 0.8 μM).

Magnetic Aqueous Two Phase Fishing: An Hybrid Process Technology for Antibody Purification - Vijaykumar L Dhadge; Rosa, S.; Azevedo, A.; Aires-Barros, R.; Roque, A. C. A. (J. Chromatogr. A, 2014)
The potential to combine aqueous two-phase extraction (ATPE) with magnetic separation was here investigated with the aim of developing a selective non-chromatographic method for the purification of antibodies from cell culture supernatants. Aqueous two-phase systems (ATPS) composed of polyethylene glycol (PEG) and dextran were supplemented with several surface modified magnetic particles (MPs) at distinct salt concentrations. The partition of pure human IgG in the upper and lower phases as well as the amount adsorbed at the MPs surface was investigated, indicating that MPs coated with dextran and gum Arabic established the lowest amount of non-specific interactions. The binding capacity of gum arabic coated particles modified with aminophenyl boronic acid (GA-APBA-MP) was were found to be excellent in combination with the ATPS system, yielding high yields of antibody recovery (92%) and purity (98%) from cell culture supernatants. The presence of MPs in the ATPS was found to speed up phase separation (from 40 to 25 min), to consume a lower amount of MPs (half of the amount needed in magnetic fishing) and to increase the yield and purity of a mAb purified from a cell culture supernatant, when compared with ATPE or magnetic fishing processes alone.

Mo-Cu metal cluster formation and binding in an orange protein isolated from Desulfovibrio gigas - Carepo, M. S.; Pauleta, S. R.; A.G. Wedd; Moura, J. J. G.; Moura, I. (J Biol Inorg Chem, 2014)

Modelo de Cidade Energeticamente Eficiente - Amado, Miguel P.; Poggi, Francesca; Amado, António Ribeiro (Editora Caleidoscópio_Edição e Artes Gráficas, SA, ISBN: 978-989-6582-69-2, 2014)

Molecular Mobility of Amorphous S-Flurbiprofen: A Dielectric Relaxation Spectroscopy Approach - A. C. Rodrigues; M. T. Viciosa; F. Danède,; F. Affouard; N. T. Correia, (Molecular Pharmaceutics, 2014)
DOI: 10.1021/mp4002188

Nanocrystalline cellulose applied simultaneously as the gate dielectric and the substrate in flexible field effect transistors - Gaspar, Diana,; Fernandes; de Oliveira, Pedro Guedes,; Fernandes; Grey, P.,; Pontes, R. V.,; Pereira; Martins; Godinho, M. H.,; E. Fortunato (Nanotechnology, 2014)

Nanostructured p-type Cr/V2O5 thin films with boosted thermoelectric properties - Loureiro, J.; J. R. Santos; A. Nogueira; F. Wyczisk; L. Divay; S. Reparaz; F. Alzina; C. M. S. Torres; J. Cuffe; F. Montemor; R. Martins; Ferreira, I. (J. Mater. Chem. A, 2014)
The urgent need for non-toxic and abundant thermoelectric materials has become a significant motivation to improve the figures of merit of metal oxides in order to remove the barrier towards their widespread use for thermoelectric applications. Here we show the influence of a Cr layer in boosting the thermoelectric properties of vanadium pentoxide (V2O5) thin films, deposited by thermal evaporation and annealed at 500 °C. The Cr to V2O5 thickness ratio controls the morphological and thermoelectric properties of the thin films produced. The optimized Seebeck coefficient and power factor values at room temperature are +50 μV K−1 and 7.9 × 10−4 W m−1 K−2, respectively. The nanograin structure of the films is responsible for an improvement in the electrical conductivity up to 3 × 105 (Ω m)−1 with a typical thermal conductivity of 1.5 W m−1 K−1. These results combine to yield promising p-type thermoeletric CrV2O5 thin films with a ZT of 0.16 at room temperature.

Nitrite biosensing - Electrochemical biosensors based on cytochrome c nitrite reductase from Desulfovibrio desulfuricans ATCC 27774 - Silveira, C. M.; Almeida, M. G.; Moura, J. J. G. (Lambert Academic Publishing (ISBN 978-3-659-10593-7), 2014)

Nonredundant roles for cytochrome c2 and two high-potential iron-sulfur proteins in the photoferrotroph Rhodopseudomonas palustris TIE-1 - Bird, LJ; Saraiva, I.H.; Park, S; Calçada, EO; Salgueiro, C.A.; Nitschke, W; Louro, R.O.; Newman, DK (J Bacteriol, 2014)
The purple bacterium Rhodopseudomonas palustris TIE-1 expresses multiple small high-potential redox proteins during photoautotrophic growth, including two high-potential iron-sulfur proteins (HiPIPs) (PioC and Rpal_4085) and a cytochrome c2. We evaluated the role of these proteins in TIE-1 through genetic, physiological, and biochemical analyses. Deleting the gene encoding cytochrome c2 resulted in a loss of photosynthetic ability by TIE-1, indicating that this protein cannot be replaced by either HiPIP in cyclic electron flow. PioC was previously implicated in photoferrotrophy, an unusual form of photosynthesis in which reducing power is provided through ferrous iron oxidation. Using cyclic voltammetry (CV), electron paramagnetic resonance (EPR) spectroscopy, and flash-induced spectrometry, we show that PioC has a midpoint potential of 450 mV, contains all the typical features of a HiPIP, and can reduce the reaction centers of membrane suspensions in a light-dependent manner at a much lower rate than cytochrome c2. These data support the hypothesis that PioC linearly transfers electrons from iron, while cytochrome c2 is required for cyclic electron flow. Rpal_4085, despite having spectroscopic characteristics and a reduction potential similar to those of PioC, is unable to reduce the reaction center. Rpal_4085 is upregulated by the divalent metals Fe(II), Ni(II), and Co(II), suggesting that it might play a role in sensing or oxidizing metals in the periplasm. Taken together, our results suggest that these three small electron transfer proteins perform different functions in the cell.

Novel Bipyridinium Ionic Liquids as Liquid Electrochromic Devices - Jordao, Noemi; Cabrita, Luis; Pina, Fernando; Branco, Luis C. (CHEMISTRY-A EUROPEAN JOURNAL, 2014)

One Electron Reduced Square Planar Bis(benzene-1,2-dithiolato) Copper Dianionic Complex and Redox Switch by O2/HO- - B.K. Maiti; Maia, L. B.; K. Pal; Pakira, B.; Aviles, T.; Moura, I.; Pauleta, S. R.; Nuñez, J.L.; Rizzi, A. C.; Brondino, C. D.; Sarkar, S.; Moura, J. J. G. (Inorg Chem, 2014)

Optimization of fluorescent tools for cell biology studies in Gram-positive bacteria - M. J. Catalao; Figueiredo, J; M. X. Henriques; J. P. Gomes; S. R. Filipe (PLoS One, 2014)

Organometallic compounds in cancer therapy: past lessons and future directions - Martins, P.; Marques, M.; Coito, L.; Pombeiro, A. J.; P.V. Baptista; Fernandes, A. R. (Anticancer Agents Med Chem, 2014)

Overview of HCM genomics and transcriptomics: molecular tools in HCM assessment for application in clinical medicine - Santos, S.; Freitas, A. T.; Fernandes, A. R. (Cardiovascular Disease II, 2014)

Phylogenetic origin of the endemic pigeons from Madeira (Columba trocaz) and Azores Islands (Columba palumbus azorica) - Dourado, Catarina G.; Duarte, Margarida Alexandra; Ana Rita Grosso; Bastos-Silveira, Cristiane; Marrero, Patricia; Oliveira, Paulo; Paulo, Octávio S.; Dias, Deodália (Journal of Ornithology, 2014)
This study addresses for the first time the issue of pigeon (genus Columba) phylogeny within the archipelagos of Madeira ( Columba trocaz) and Azores ( C. palumbus azorica), located in the singular biogeographic area of Macaronesia. The phylogeny of these endemic pigeons was inferred based on mitochondrial (cytochrome b and cytochrome c oxidase I) and nuclear ($β$-fibrinogen intron 7) genetic markers through multiple approaches. Despite the non-monophyletic pattern for the insular endemic species recovered in the phylogenies, topology tests presented somewhat different results. C. trocaz, the Madeiran endemic species, clustered strongly with the Canarian endemic C. bollii, and these two are thus more closely related to each other than C. bollii to C. junoniae, the other endemic species of Canary Islands, which seems to have diverged independently. Moreover, C. trocaz was found to be phylogenetically closer to C. bollii than to C. palumbus from mainland Europe and Azores Islands. No genetic differentiation was found between the continental C. p. palumbus and the endemic C. p. azorica, which suggests a relatively recent colonisation event of the Azores Islands. (English) [ABSTRACT FROM AUTHOR]
n/a
Keywords: $β$-Fibrinogen intron 7; Columba; Endemic pigeons; Macaronesia; Mitochondrial DNA; Phylogeny

Preventing Atomicity Violations with Contracts - Sousa, Diogo; João M. Lourenço; Carla Ferreira; Ricardo J. Dias (Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, 2014)
n/a
n/a

Probing the effect of ionic strength on the functional robustness of the triheme cytochrome PpcA from Geobacter sulfurreducens: a contribution for optimizing biofuel cell's power density - Dantas, J.M.; Morgado, L.; Marques, AC; Salgueiro, C.A. (J Phys Chem B, 2014)
The increase of conductivity of electrolytes favors the current production in microbial fuel cells (MFCs). Adaptation of cell cultures to higher ionic strength is a promising strategy to increase electricity production. The bacterium Geobacter sulfurreducens is considered a leading candidate for MFCs. Therefore, it is important to evaluate the impact of the ionic strength on the functional properties of key periplasmic proteins that warrants electron transfer to cell exterior. The effect of the ionic strength on the functional properties of triheme cytochrome PpcA, the most abundant periplasmic cytochrome in G. sulfurreducens, was investigated by NMR and potentiometric methods. The redox properties of heme IV are the most affected ones. Chemical shift perturbation measurements on the backbone NMR signals, at increasing ionic strength, also showed that the region close to heme IV is the most affected due to the large number of positively charged residues, which confer a highly positive electrostatic surface around this heme. The shielding of these positive charges at high ionic strength explain the observed decrease in the reduction potential of heme IV and shows that PpcA was designed to maintain its functional mechanistic features even at high ionic strength.

The Public Participation in Urban Planning – Portuguese Small Town Case - Moura, Evelina R.; Amado, Miguel P.; Freitas, João Capucho (Urban Planning: Practices, Challenges and Benefits, 2014)

Química de Coordenação e Biologia: controlo da atividade enzimática por alteração da coordenação dos centros metálicos catalíticos - Maia, L. B.; Pauleta, S. R.; Moura, J. J. G. (Química, 2014)

Relativistic calculations of M-shell photoionization and X-ray production cross-sections for Hg at 5.96 keV excitation energy - Sampaio, J M; Madeira, T I; Parente, F.; Indelicato, P. (Radiation Physics and Chemistry, 2014)
In this work we calculate photoionization and X-ray production cross-sections (XPCS) of M-shell vacancies in Hg at incident photon energy of 5.96 keV (low.
n/a

Responsible Research and Innovation: a Global Perspective - Julia Hahn; Miltos Ladikas (Enterprise and Work Innovation Studies, 2014)
Responsible Research and Innovation (RRI) is a normative concept that has captured considerable attention on the Science and Technology (S&T) policy level, but also in academic discourses. It represents a new approach to how science, innovation and research can be shaped in accordance with societal values that builds directly on the concepts and methodologies of Technology Assessment (TA). The definition and operationalization aspects of RRI remain still unclear although key ingredients such as ethical acceptability are well established in S&T debates and embrace a spectrum of standard methodological approaches. In this paper we review the conceptual debate on RRI with a focus on its constituent parts. We then present a functional comparison between RRI and TA that proves the considerable conceptual overlap in the two approaches. We argue that TA methodologies and precepts should be employed as key operationalisational features in RRI. Finally we argue for a global perspective on RRI by describing a case study on global ethics in S&T that introduces an analytical framework for ethics debates.

The savings of energy saving: Interactions between energy supply and demand-side options-quantification for Portugal - Simoes, Sofia; Júlia Seixas; Fortes, Patricia; Huppes, Gjalt (Energy Efficiency, 2014)
n/a
n/a
Keywords: End-use energy efficiency; Energy policies; Renewable electricity; Supply and demand side

Self-standing elastomeric composites based on lithium ferrites and their dielectric behavior - S. Soreto Teixeira; M. P. F. Graça; M. Dionísio; M. Ilcikova; J. Mosnacek; Z. Spitalsky; I. Krupa; L. C. Costa (Journal of Applied Physics, 2014)

SINTERING OF NANOSCALE SILVER COATED TEXTILES, A NEW APPROACH TO ATTAIN CONDUCTIVE FABRICS FOR ELECTROMAGNETIC SHIELDING - Kardarian K,; Busani T,; Osório I,; Domingos H,; Igreja R,; Franco R,; Cortez J, (Materials Chemistry and Physics, 2014)

SiW11Fe@MIL-101(Cr) composite: A novel and versatile electrocatalyst - Fernandes, D. M.; Granadeiro, C. M.; Paes de Sousa. P. M.; Grazina, R.; Moura, J. J. G.; Silva, P.; Almeida Paz, F. A.; Cunha-Silva, L.; Balula, S. S.; Freire, C. (ChemElectroChem, 2014)

Solar Energy Integration in Urban Planning: GUUD model - Amado, M. P.; Poggi, F. (Energy Procidea, 2014)

Solar urban planning: a parametric approach - Amado, M. P.; Poggi, F. (Energy Procedia, 2014)

A Stable Amorphous Statin: Solid-State NMR and Dielectric Studies on Dynamic Heterogeneity of Simvastatin - T. G. Nunes; M. T. Viciosa; N. T. Correia,; F. Danède,; R. G. Nunes; H. P. Diogo (Molecular Pharmaceutics, 2014)
DOI: 10.1021/mp400455r

STAR-SHAPED MAGNETITE@GOLD NANOPARTICLES FOR PROTEIN MAGNETIC SEPARATION AND SERS DETECTION - Quaresma P,; Osório I,; G. Doria; Carvalho PA,; Pereira A,; Langer J,; Araújo JP,; Pastoriza-Santos I,; Liz-Marzán LM,; Franco R,; Baptista P,; Pereira E, (RSC Adv, 2014)

Starch-based polymer – IL composites formed by compression moulding and supercritical fluid foaming for self-supported conductive materials - R. Craveiro; Martins, M; G. B. Santos; N. T. Correia,; M. Dionísio; S. Barreiros; A. R. C. Duarte; R. L. Reis; A. Paiva (RSC Advances, 2014)
DOI: 10.1039/C4RA01424C

Statistical Mixture Design and Multivariate Analysis of Inkjet Printed a-WO3/TiO2/WOX Electrochromic Films - Wojcik, Pawel Jerzy,; Pereira; Martins; Elvira Fortunato (ACS Combinatorial Science, 2014)

Steady state kinetics with nitric oxide reductase (nor): new considerations onsubstrate inhibiion profile and catalytic mechanism - Duarte, A. G.; Cordas, C. M.; Moura, J. J. G.; Moura, I. (Biochim Biophys Acta, 2014)

Structural evaluation of an alternative Protein A biomimetic ligand for antibody purification - Barroso, Telma; Branco, R. J. F.; Ana Aguiar‐Ricardo; Roque, A. C. A. (Journal of Computer-Aided Molecular Design, 2014)
Affinity chromatography is one of the most common techniques employed at the industrial-scale for antibody purification. In particular, the purification of human immunoglobulin G (hIgG) has gained relevance with the immobilization of its natural binding counterpart—Staphylococcus aureus Protein A (SpA) or with the recent development of biomimetic affinity ligands, namely triazine-based ligands. These ligands have been developed in order to overcome economic and leaching issues associated to SpA. The most recent triazine-based ligand—TPN-BM, came up as an analogue of 2-(3-amino-phenol)-6-(4-amino-1-naphthol)-4-chloro-sym-triazine ligand also known as ligand 22/8 with improved physico-chemical properties and a greener synthetic route. This work intends to evaluate the potential of TPN-BM as an alternative affinity ligand towards antibody recognition and binding, namely IgG, at an atomic level, since it has already been tested, after immobilization onto chitosan-based monoliths and demonstrated interesting affinity behaviour for this purpose. Herein, combining automated molecular docking and molecular dynamics simulations it was predicted that TPN-BM has high propensity to bind IgG through the same binding site found in the crystallographic structure of SpA_IgG complex, as well as theoretically predicted for ligand 22/8_IgG complex. Furthermore, it was found that TPN-BM established preferential interactions with aromatic residues at the Fab domain (Trp 50, Tyr 53, Tyr 98 and Trp 100), while in the Fc domain the main interactions are based on hydrogen bonds with pH sensitive residues at operational regime for binding and elution like histidines (His 460, His 464, His 466). Moreover, the pH dependence of TPN-BM_IgG complex formation was more evident for the Fc domain, where at pH 3 the protonation state and consequently the charge alteration of histidine residues located at the IgG binding site induced ligand detachment which explains the optimal elution condition at this pH observed experimentally.

Sulphate reducing bacteria and microbially induced corroision - Dall`Agnol, L.; Moura, J. J. G. (Green BOOK - Understanding Biocorrosion: Fundamentals and Applications, 2014)

Sustainable construction: Water efficiency in housing sector - Alcafache, Ana Oliveira; Amado, M. P. (40th IAHS World Congress in Housing – Sustainable Housing Construction, 2014)

Synthesis and characterization of [S2MoS2Cu(n-SPhF)]2−(n=o, m, p) clusters: Potential 19F-NMR structural probes for Orange Protein - B.K. Maiti; T. Avilés; Moura, I.; Pauleta, S. R.; Moura, J. J. G. (Inorg Chem Commun, 2014)

A tailor made affinity pair “tag-receptor” for the purification of fusion proteins - Pina, A. S.; Guilherme, M.; Pereira, A. S.; Fernandes, C.S.M.; Branco, R. J. F.; Lowe, C. R.; Roque, ACA. (ChemBioChem, 2014)
A novel affinity “tag–receptor” pair was developed as a generic platform for the purification of fusion proteins. The hexapeptide RKRKRK was selected as the affinity tag and fused to green fluorescent protein (GFP). The DNA fragments were designed, cloned in Pet-21c expression vector and expressed in E. coli host as soluble protein. A solid-phase combinatorial library based on the Ugi reaction was synthesized: 64 affinity ligands displaying complementary functionalities towards the designed tag. The library was screened by affinity chromatography in a 96-well format for binding to the RKRKRK-tagged GFP protein. Lead ligand A7C1 was selected for the purification of RKRKRK fusion proteins. The affinity pair RKRKRK-tagged GFP with A7C1 emerged as a promising solution (Ka of 2.45×105 M−1). The specificity of the ligand towards the tag was observed experimentally and theoretically through automated docking and molecular dynamics simulations.

A theoretical and experimental approach toward the development of affinity adsorbents for GFP and GFP-fusion proteins purification - Fernandes, C.S.M.; Pina, A. S.; Dias, A M G C; Branco, R. J. F.; Roque, A. C. A. (Journal of Biotechnology, 2014)
The green fluorescent protein (GFP) is widely employed to report on a variety of molecular phenomena, but its selective recovery is hampered by the lack of a low-cost and robust purification alternative. This work reports an integrated approach combining rational design and experimental validation toward the optimization of a small fully-synthetic ligand for GFP purification. A total of 56 affinity ligands based on a first-generation lead structure were rationally designed through molecular modeling protocols. The library of ligands was further synthesized by solid-phase combinatorial methods based on the Ugi reaction and screened against Escherichia coli extracts containing GFP. Ligands A4C2, A5C5 and A5C6 emerged as the new lead structures based on the high estimated theoretical affinity constants and the high GFP binding percentages and enrichment factors. The elution of GFP from these adsorbents was further characterized, where the best compromise between mild elution conditions, yield and purity was found for ligands A5C5 and A5C6. These were tested for purifying a model GFP-fusion protein, where ligand A5C5 yielded higher protein recovery and purity. The molecular interactions between the lead ligands and GFP were further assessed by molecular dynamics simulations, showing a wide range of potential hydrophobic and hydrogen-bond interactions.

Thermodynamic and kinetic characterization of two methyl-accepting chemotaxis heme sensors from Geobacter sulfurreducens reveals the structural origin of their functional difference - Silva,MA; Valente, RC; Pokkuluri, P.R.; Turner, D.L.; Salgueiro, C.A.; Catarino, T. (Biochim Biophys Acta, 2014)
The periplasmic sensor domains GSU582 and GSU935 are part of methyl-accepting chemotaxis proteins of the bacterium Geobacter sulfurreducens containing one c-type heme and a PAS-like fold. Their spectroscopic properties were shown previously to share similar spectral features. In both sensors, the heme group is in the high-spin form in the oxidized state and low-spin after reduction and binding of a methionine residue. Therefore, it was proposed that this redox-linked ligand switch might be related to the signal transduction mechanism. We now report the thermodynamic and kinetic characterization of the sensors GSU582 and GSU935 by visible spectroscopy and stopped-flow techniques, at several pH and ionic strength values. Despite their similar spectroscopic features, the midpoint reduction potentials and the rate constants for reduction by dithionite are considerably different in the two sensors. The reduction potentials of both sensors are negative and well framed within the typical anoxic subsurface environments in which Geobacter species predominate. The midpoint reduction potentials of sensor GSU935 are lower than those of GSU582 at all pH and ionic strength values and the same was observed for the reduction rate constants. The origin of the different functional properties of these closely related sensors is rationalized in the terms of the structures. The results suggest that the sensors are designed to function in different working potential ranges, allowing the bacteria to trigger an adequate cellular response in different anoxic subsurface environments. These findings provide an explanation for the co-existence of two similar methyl-accepting chemotaxis proteins in G. sulfurreducens.

Time-resolved luminescence studies of Eu3+ - Ruivo, A.; V. S. F. Muralha; Águas, H.; A. Pires de Matos; Laia, C. A. T. (Journal of Quantitative Spectroscopy & Radiative Transfer, 2014)

Towards an Algorithmic Skeleton Framework for Programming the Intel® Xeon Phi™ Processor - Helder Marques (Universidade Nova de Lisboa, 2014)

Towards an assessment of the Portuguese e-mobility case: The Mobi-E - Boavida; et al (Technology Assessment and Policy Areas of Great Transitions, 2014)

Transparent aluminium zinc oxide thin films with enhanced thermoelectric properties - Loureiro, J.; N. Neves; R. Barros; T. Mateus; R. Santos; S. Filonovich; S. Reparaz; C. M. S. Torres; F. Wyczisk; L. Divay; R. Martins; Ferreira, I. (J. Mater. Chem. A, 2014)
Improved thermoelectric properties of Aluminum Zinc Oxide (AZO) thin films deposited by radio frequency (RF) and pulsed Direct Current (DC) magnetron sputtering at room temperature are reported. In both techniques films were deposited using sintered and non-sintered targets produced from nano-powders. It is confirmed that both the Al doping concentration and film thickness control the thermoelectric, optical and structural properties of these films. Seebeck coefficients up to −134 μV K−1 and electrical conductivities up to 4 × 104 (Ω m)−1 lead to power factors up to 4 × 10−4 W mK−2, which is above the state-of-the-art for similar materials, almost by a factor of three. The thermoelectric I–V response of an optimized AZO element with a planar geometry was measured and a maximum power output of 2.3 nW, for a temperature gradient of 20 K near room temperature, was obtained. Moreover, the low thermal conductivity (<1.19 W mK−1) yields a ZT value above 0.1. This is an important result as it is at least three times higher than the ZT found in the literature for AZO, at room temperature, opening new doors for applications of this inexpensive, abundant and environmental friendly material, in a new era of thermoelectric devices.

Travelling Beneath the Gold Surface – Part I: study and characterization of laboratory reconstructions of Portuguese seventeenth and eighteenth centuries ground and bole layers (e.c-nservation Journal, 2014)

Urban Regeneration: More Energy, Less Carbon - Schedel, J.; Amado, M. P. (40th IAHS World Congress in Housing – Sustainable Housing Construction, 2014)

THE USE OF GOLD NANOPARTICLES AS ADDITIVES IN PROTEIN CRYSTALLIZATION - Ribeiro D,; Kulakova A,; Quaresma P,; Pereira E,; Bonifácio C,; Romão MJ,; Franco R,; Carvalho AL, (Cryst. Growth Des, 2014)

Visible-Light Photochemical Activity of Nanoporous Carbons under Monochromatic Light - Velasco, Leticia F.; João C. Lima; Conchi Ania (Angewandte Chemie International Edition, 2014)
By using monochromatic light the ability of semiconductor-free nanoporous carbons to convert the low-energy photons from the visible spectrum into chemical reactions (i.e. phenol photooxidation) is demonstrated. Data shows that the onset wavelength of the photochemical activity can be tuned by surface functionalization, with enhanced visible-light conversion upon introducing N-containing groups.

ZnO NANORODS AS IMMOBILIZATION LAYERS FOR INTERDIGITATED CAPACITIVE IMMUNOSENSORS - Sanguino P,; Monteiro T,; Bhattacharyya SR,; Dias CJ,; Igreja R,; Franco R, (Sensors and Actuators B:Chemical, 2014)

3h Gold nanobeacons: a potential nanotheranostics platform - Baptista, Pedro Miguel Ribeiro Viana (Nanomedicine, 2014)
n/a
n/a
Keywords: Cancer; cancer therapy; DRUG-DELIVERY; Gold nanobeacons; Gold nanoparticles; Nanodiagnostics; nanoparticles; nanotheranostics

4 '-Carboxy-7-hydroxyflavylium. A Multistate System Involving Twelve Species Reversibly lnterconverted by pH and Light Stimuli - Gavara, Raquel; Gago, Sandra; Jordao, Noemi; Pina, Fernando (Journal of Physical Chemistry A, 2014)
n/a
Jordao, Noemi/C-6742-2013; Gago, Sandra/H-5413-2012; Gavara, Raquel/C-6669-2013; Pina, Fernando/C-8161-2011 Jordao, Noemi/0000-0001-9769-1976; Gago, Sandra/0000-0003-0221-8508; Gavara, Raquel/0000-0002-7198-9392; Pina, Fernando/0000-0001-8529-6848 0

The importance of the Abn2 calcium cluster in the endo-1,5-arabinanase activity from Bacillus subtilis - McVey, C.E.; Ferreira, M.J.; Correia, B.; Lahiri, S.; de Sanctis, D.; Carrondo, Maria Arménia; Lindley, P.F.; de Sá Nogueira, Isabel; Soares, Cláudio Manuel; Bento, Isabel (JBIC Journal of Biological Inorganic Chemistry, 2014)
Arabinanase is a glycosyl hydrolase that is able to cleave the glycosidic bonds of α-1,5-L-arabinan, releasing arabino-oligosaccharides and L-arabinose. The enzyme has two domains, an N-terminal catalytic domain with a characteristic β-propeller fold and a C-terminal domain whose function is unknown. A calcium ion, located near the catalytic site, serves to stabilize the N-terminal domain, but it has also been proposed to play a key role in the enzyme mechanism. The present work describes the structure of an inactive mutant of the wild-type enzyme (H318Q) and in which the calcium ion has been adventitiously replaced by nickel. These structural studies, together with functional and modelling studies, clearly support the role of the calcium ion in the overall reaction mechanism.
n/a
Keywords: catalytic mechanism; Endo-α-l-arabinanase; Glycosyl hydrolase family 43; Simulations of equilibrium protonation; Site-directed mutagenesis; X-ray crystallography

The alchemy of red mercury sulphide: The production of vermilion for medieval art - Miguel, Catarina; Joana V. Pinto; Clarke, Mark; Melo, Maria J. (Dyes and Pigments, 2014)
n/a
Melo, Maria Joao/C-8594-2011; Vaz Pinto, Joana/J-3632-2013; Melo, Maria Joao/0000-0001-7393-6801; Vaz Pinto, Joana/0000-0003-0847-7711; Miguel, Catarina/0000-0002-4722-8067 1

Anthocyanins and related compounds. Detecting the change of regime between rate control by hydration or by tautomerization - Pina, Fernando (Dyes and Pigments, 2014)
n/a
Times Cited: 0 0

Antibacterial activity of Ionic Liquids based on ampicillin against resistant bacteria - Ferraz, Ricardo; Teixeira, Vania; Rodrigues, Debora; Fernandes, Ruben; Prudencio, Cristina; Noronha, Joao Paulo; Petrovski, Zeljko; Branco, Luis C. (Rsc Advances, 2014)
n/a
Noronha, Joao Paulo/C-6423-2013; Petrovski, Zeljko/D-7201-2013; Branco, Luis/C-6426-2013; Ferraz, Ricardo/G-5639-2011; Fernandes, Ruben/L-5753-2013 Noronha, Joao Paulo/0000-0002-1515-4518; Petrovski, Zeljko/0000-0002-8104-7008; Branco, Luis/0000-0003-2520-1151; Ferraz, Ricardo/0000-0002-1761-117X; Fernandes, Ruben/0000-0001-8933-3984 2

Approaches for theoretical and experimental determinations of K-shell decay rates and fluorescence yields in Ge - Sampaio, J M; Madeira, T I; Marques, J P; Parente, F.; Costa, A M; Indelicato, P.; Santos, J. P.; Lépy, M-C; Ménesguen, Y (Physical Review A, 2014)
n/a
n/a

Artisanal fishermen contribution for the integrated and sustainable coastal management - application of strategic SWOT analysis - Viegas, M. C.; António Moniz; Santos, P. T. (Procedia - Social and Behavioral Sciences, 2014)
n/a
n/a

Assessing diffusion in enzyme loaded sol-gel matrices - Barreira, Gustavo; Ferreira, Ana S. D.; Vidinha, Pedro; Cabral, Joaquim M. S.; Martinho, Jose M. G.; Lima, Joao Carlos; Cabrita, Eurico J.; Barreiros, Susana (Rsc Advances, 2014)
n/a
vidinha, Pedro/H-3426-2013; Lima, Joao Carlos/K-2890-2014; Barreiros, Susana/A-7892-2012; Martinho, Jose/E-1988-2013; Lima, Joao/F-3658-2010; Institute of Chemistry - USP, Dept. of Chemistry/B-8988-2012; Cabrita, Eurico/E-8053-2011; Ferreira, Ana/C-9598-2013 vidinha, Pedro/0000-0002-3907-4969; Barreiros, Susana/0000-0002-7268-5892; Martinho, Jose/0000-0003-1806-1568; Lima, Joao/0000-0003-0528-1967; Cabrita, Eurico/0000-0002-0720-2751; Ferreira, Ana/0000-0001-9381-588X 0

Assessing diffusion in enzyme loaded sol–gel matrices - Barreira, Gustavo; Ferreira, Ana S. D.; Vidinha, Pedro; Cabral, Joaquim M. S.; Martinho, José M. G.; João Carlos Lima; Cabrita, Eurico J.; Barreiros, Susana (RSC Advances, 2014)
Pulsed field gradient spin echo high resolution magic angle spinning nuclear magnetic resonance spectroscopy is a powerful technique to characterize confined biosystems. We used this approach to assess the diffusion of solvent and reaction species within sol–gel matrices differing in enzyme loading.
n/a

Assessment of Green Cleaning Effectiveness on Polychrome Surfaces by MALDI-TOF Mass Spectrometry and Microscopic Imaging - Kuckova, Stepanka Hrdlickova; Krizkova, Michaela Crhova; Cortes Pereira, Catarina Luisa; Hynek, Radovan; Lavrova, Olga; Tito Busani; Branco, Luis Cobra; Anca Sandu, Irina Crina (Microscopy Research and Technique, 2014)
n/a
Branco, Luis/C-6426-2013; Sandu, Irina/D-2905-2013 Branco, Luis/0000-0003-2520-1151; Sandu, Irina/0000-0002-3307-3682 5

Biochemical, Stabilization and Crystallization Studies on a Molecular Chaperone (PaoD) Involved in the Maturation of Molybdoenzymes - Otrelo-Cardoso, Ana Rita; Schwuchow, Viola; Rodrigues, David; Cabrita, Eurico J.; Leimkuehler, Silke; Romao, Maria Joao; Santos-Silva, Teresa (Plos One, 2014)
n/a
Times Cited: 0 Cabrita, Eurico/E-8053-2011 Cabrita, Eurico/0000-0002-0720-2751 0

Characterisation of metal carboxylates by Raman and infrared spectroscopy in works of art - Otero, Vanessa; Sanches, Diogo; Montagner, Cristina; Vilarigues, Marcia; Carlyle, Leslie; Lopes, Joao A.; Melo, Maria J. (Journal of Raman Spectroscopy, 2014)
n/a
Melo, Maria Joao/C-8594-2011; Lopes, Joao/H-1733-2011; iMed.ULisboa, InTraCellADD /B-4826-2014; Vilarigues, Marcia/K-8709-2015 Melo, Maria Joao/0000-0001-7393-6801; Lopes, Joao/0000-0002-1657-344X; Vilarigues, Marcia/0000-0003-4134-2819 Si 2

Chemical Applications of Anthocyanins and Related Compounds. A Source of Bioinspiration - Pina, Fernando (Journal of Agricultural and Food Chemistry, 2014)
n/a
Pina, Fernando/C-8161-2011 Pina, Fernando/0000-0001-8529-6848 Si 6

Chemistry and Photochemistry of 2,6-Bis(2-hydroxybenzilidene)cyclohexanone. An Example of a Compound Following the Anthocyanins Network of Chemical Reactions - Artur J. Moro; Pana, Ana-Maria; Cseh, Liliana; Costisor, Otilia; Parola, Jorge; Cunha-Silva, L.; Puttreddy, Rakesh; Kari Rissanen; Pina, Fernando (Journal of Physical Chemistry A, 2014)
n/a
Parola, A. Jorge/F-4048-2010; Cunha-Silva, Luis/A-8765-2012; Moro, Artur/C-6689-2013; Pina, Fernando/C-8161-2011 Parola, A. Jorge/0000-0002-1333-9076; Cunha-Silva, Luis/0000-0001-9229-1412; Moro, Artur/0000-0003-3285-4919; Pina, Fernando/0000-0001-8529-6848 0

Cobalt Complexes with Pyrazole Ligands as Catalyst Precursors for the Peroxidative Oxidation of Cyclohexane: X-ray Absorption Spectroscopy Studies and Biological Applications - F. S. Silva, Telma; M. D. R. S. Martins, Luísa; Guedes da Silva, M. Fátima C.; Kuznetsov, Maxim L.; Alexandra R. Fernandes; Silva, Ana; Pan, Chun-Jern; Lee, Jyh-Fu; Hwang, Bing-Joe; J. L. Pombeiro, Armando (Chemistry – An Asian Journal, 2014)
n/a
n/a
Keywords: cobalt; cyclic voltammetry; cyclohexane oxidation; in vitro cytotoxicity; pyrazole based ligands; X-ray absorption spectroscopy

Color stability and spectroscopic properties of deoxyvitisins in aqueous solution - Sousa, Andre; Cabrita, Luis; Araujo, Paula; Mateus, Nuno; Pina, Fernando; de Freitas, Victor (New Journal of Chemistry, 2014)
n/a
Times Cited: 0 Mateus, Nuno/F-3019-2013; de Freitas, Victor/H-7789-2013; Pina, Fernando/C-8161-2011 Mateus, Nuno/0000-0002-9318-9732; Pina, Fernando/0000-0001-8529-6848 0

Color stability and spectroscopic properties of deoxyvitisins in aqueous solution - Sousa, Andre; Cabrita, Luis; Araujo, Paula; Mateus, Nuno; Pina, Fernando; de Freitas, Victor (New Journal of Chemistry, 2014)
n/a
Mateus, Nuno/F-3019-2013; de Freitas, Victor/H-7789-2013; Cabrita, Luis/A-7290-2010; Araujo, Paula /I-7332-2015; Pina, Fernando/C-8161-2011 Mateus, Nuno/0000-0002-9318-9732; Cabrita, Luis/0000-0002-3614-9806; Araujo, Paula /0000-0002-7597-3152; Pina, Fernando/0000-0001-8529-6848 1

Combining SERS and microspectrofluorimetry with historically accurate reconstructions for the characterization of lac dye paints in medieval manuscript illuminations - Castro, Rita; Pozzi, Federica; Leona, Marco; Melo, Maria Joao (Journal of Raman Spectroscopy, 2014)
n/a
Melo, Maria Joao/C-8594-2011 Melo, Maria Joao/0000-0001-7393-6801 Si 1

Design and Synthesis of Photoactive Ionic Liquids - Avo, Joao; Cunha-Silva, Luis; Lima, Joao Carlos; Jorge Parola, A. (Organic Letters, 2014)
n/a
Avo, Joao/C-6939-2013; Lima, Joao/F-3658-2010; Lima, Joao Carlos/K-2890-2014; Parola, A. Jorge/F-4048-2010; Cunha-Silva, Luis/A-8765-2012 Avo, Joao/0000-0002-3380-748X; Lima, Joao/0000-0003-0528-1967; Parola, A. Jorge/0000-0002-1333-9076; Cunha-Silva, Luis/0000-0001-9229-1412 3

Dual-color control of nucleotide polymerization sensed by a fluorescence actuator - Reimão-Pinto, Madalena M.; Ana Cordeiro; Carina Almeida; Pinheiro, Andre V.; Artur Moro; Lima, João C.; Pedro Baptista (Photochemical & Photobiological Sciences, 2014)
Spatial and temporal control of molecular mechanisms can be achieved using photolabile bonds that connect biomolecules to protective caging groups, which can be cleaved upon irradiation of a specific wavelength, releasing the biomolecule ready-to-use. Here we apply and improve a previously reported strategy to tightly control in vitro transcription reactions. The strategy involves two caging molecules that block both ATP and GTP nucleotides. Additionally, we designed a molecular beacon complementary to the synthesized mRNA to infer its presence through a light signal. Upon release of both nucleotides through a specific monochromatic light (390 and 325 nm) we attain a light signal indicative of a successful in vitro transcription reaction. Similarly, in the absence of irradiation, no intense fluorescence signal was obtained. We believe this strategy could further be applied to DNA synthesis or the development of logic gates.
The authors acknowledge Fundacao para a Ciencia e Tecnologia (FCT/MEC) for funding: CIGMH (PEst-OE/SAU/UI0009/2011); REQUIMTE (PEst-C/EQB/LA0006/2011); PTDC/BBB-NAN/1812/2012; PTDC/QUI-QUI/112597/2009; PTDC/CTM-NAN/109877/2009; AM for SFRH/BPD/69210/2010.
Keywords: ESTERS; MOLECULAR BEACONS; PHOTOCLEAVAGE; RNA; TOOLS