Nuno A. Fonseca, Ana Sofia Rodrigues, Paulo Rodrigues‐Santos, Vera Alves, Ana C. Gregório, Ângela Valério-Fernandes, Lígia C. Gomes‐da‐Silva, Manuel Santos Rosa, Vera Moura, João Ramalho‐Santos, Sérgio Simões, João Nuno Moreira,
Breast cancer stem cells (CSC) are thought responsible for tumor growth and relapse, metastization and active evasion to standard chemotherapy. The recognition that CSC may originate from non-stem cancer cells (non-SCC) through plastic epithelial-to-mesenchymal transition turned these into relevant cell targets. Of crucial importance for successful therapeutic intervention is the identification of surface receptors overexpressed in both CSC and non-SCC. Cell surface nucleolin has been described as ...
Tópico(s): RNA modifications and cancer
2015 - Elsevier BV | Biomaterials
Ana Filipa L.O.M. Santos, José R. B. Gomes, Manuel A. V. Ribeiro da Silva,
A combined experimental and computational study on the thermochemistry of 2- and 3-acetylpyrroles was performed. The enthalpies of combustion and sublimation were measured by static bomb combustion calorimetry and Knudsen effusion mass-loss technique, respectively, and the standard (p° = 0.1 MPa) molar enthalpies of formation, in the gaseous phase, at T = 298.15 K, were determined. Additionally, the gas-phase enthalpies of formation were estimated by G3(MP2)//B3LYP calculations, using several gas-phase ...
Tópico(s): Chemical and Physical Properties in Aqueous Solutions
2009 - American Chemical Society | The Journal of Physical Chemistry A
José R. B. Gomes, Manuel A. V. Ribeiro da Silva,
Density functional theory has been used to investigate gas-phase thermodynamic properties of phenol and dichlorophenols. Molecular geometries, energies, and vibrational frequencies were computed at the B3LYP and BP86 levels of theory. At T = 298.15 K, calculated standard enthalpies of formation are in excellent agreement with experimental data. The average deviation between calculated and experimental values is of about 2.3 kJ/mol, and in some cases, theoretical values fall within experimental uncertainty. ...
Tópico(s): Chemical Thermodynamics and Molecular Structure
2003 - American Chemical Society | The Journal of Physical Chemistry A
José R. B. Gomes, Manuel A.V. Ribeiro da Silva,
Gas-phase standard enthalpies of formation, S−H bond dissociation enthalpies, and gas-phase acidities, at T = 298.15 K, for a large number of small sulfur-containing molecules were calculated by means of B3LYP, CBS-Q, G3MP2B3, and G3 approaches. The computed values are compared with available experimental results for these quantities. It is shown that the DFT approach is well-suited to predict S−H bond dissociation enthalpies and gas-phase acidities but fails completely in the estimation of enthalpies ...
Tópico(s): Advanced Chemical Physics Studies
2004 - American Chemical Society | The Journal of Physical Chemistry A
José R. B. Gomes, Manuel A. V. Ribeiro da Silva,
Abstract Density Functional Theory was used to investigate several gas‐phase thermodynamic parameters of the o ‐, m ‐, and p ‐aminophenol isomers. Within the DFT approach, the B3LYP method and the 6‐31G(d) and 6‐311+G(2d,2p) basis sets were used to compute standard enthalpies of formation. Calculated data are in excellent agreement with the experimental work of Nuñez et al. [J Chem Thermodyn 1996, 18, 575–579] but differs significantly from the values of Sabbah et al. [Can J Chem 1996, 74, 500–507]. In this ...
Tópico(s): Advanced Chemical Physics Studies
2004 - Wiley | International Journal of Quantum Chemistry
José R. B. Gomes, Manuel A. V. Ribeiro da Silva,
A computational study on the thermodynamic properties of 13 β-diketones is presented. The B3LYP//6-311+G(2d,2p)//B3LYP/6-31G(d) theoretical approach was employed to compute the O−H and C−H bond dissociation enthalpies and enthalpy of tautomerization and to estimate standard gas-phase enthalpies of formation for the radicals and for the parent molecules. The gas-phase enthalpies of formation for the neutral molecules are in excellent agreement with available experimental data, supporting the estimates ...
Tópico(s): Thermal and Kinetic Analysis
2006 - American Chemical Society | The Journal of Physical Chemistry A
Produção Nacional
Revisado por pares
Mariana C. Duarte, Grasiele S.V. Tavares, Diogo G. Valadares, Daniela P. Lage, Tatiana G. Ribeiro, Letícia M.R. Lage, Marcella Rezende Rodrigues, André Augusto Gomes Faraco, Manuel Soto, Eduardo Sérgio da Silva, Miguel Á. Chávez‐Fumagalli, Carlos Alberto Pereira Tavares, João Paulo Viana Leite, Jamil S. Oliveira, Rachel Oliveira Castilho, Eduardo Antônio Ferraz Coelho,
In recent years, considerable attention has been given to identify new antileishmanial products derived from medicinal plants, although, to date, no new effective compound has been recently applied to treat leishmaniasis. In the present study, the antileishmanial activity of a water extract from Zingiber officinalis Roscoe (ginger) was investigated and a purified fraction, named F10, was identified as responsible by this biological activity. The chemical characterization performed for this fraction ...
Tópico(s): Phytochemistry and biological activities of Ficus species
2016 - Elsevier BV | Experimental Parasitology
Produção Nacional
Revisado por pares
Pollyana Ferreira da Silva, Bruna Ferreira Gomes, Carlos Manuel Silva Lobo, Luiz Henrique Keng Queiroz Júnior, Ernesto Danieli, Marcelo Carmo, Bernhard Blümich, Luiz Alberto Colnago,
The use of nuclear magnetic resonance (NMR) spectroscopy to study electrochemical reactions in situ (EC-NMR), in solution, was demonstrated more than four decades ago. Although, the immense potential of EC-NMR has been demonstrated in several applications, this method has been limited to a few specialized groups since there are no commercial EC-NMR cells or cells that can be easily assembled for routine measurements. In most of the proposed EC-NMR cells the electrodes are placed inside the NMR coil, ...
Tópico(s): Advanced NMR Techniques and Applications
2019 - Elsevier BV | Microchemical Journal
Produção Nacional
Revisado por pares
Francisca Charliane Carlos da Silva, Maria do Carmo de Oliveira Citó, Maria Izabel Gomes da Silva, Brinell Arcanjo Moura, Manuel Rufino de Aquino Neto, Mariana Lima Feitosa, Raquell de Castro Chaves, Danielle S. Macêdo, Silvânia Maria Mendes Vasconcelos, Marta Maria de França Fonteles, Francisca Cléa Florenço de Sousa,
A growing body of evidence has pointed to the ionotropic glutamate N-methyl-d-aspartate receptor (NMDA) as an important player in the etiology of psychopathologies, including anxiety and major depression. Clinical findings suggest that ketamine may be used for the treatment of major depression. There is evidence that reactive oxygen species also play an important role in the pathogenesis of many diseases, particularly those which are neurological and psychiatric in nature. This study examined the ...
Tópico(s): Stress Responses and Cortisol
2010 - Elsevier BV | Brain Research Bulletin
Produção Nacional
Revisado por pares
Bruna Ferreira Gomes, Pollyana Ferreira da Silva, Carlos Manuel Silva Lobo, Maiara da Silva Santos, Luiz Alberto Colnago,
The strong effect of magnetic field on the electrochemical (EC) reduction of a diamagnetic species was monitored in situ in a 600 MHz (14 T) NMR spectrometer. Throughout EC-NMR experiments, the diamagnetic species is influenced by the Lorentz force (cross product of current density and magnetic field), which in turn acts on analyte transport and, as a result, enhances reaction rates. This phenomenon, known as magnetoelectrolysis, has not been considered in several in situ EC-NMR studies in solution, ...
Tópico(s): Solid-state spectroscopy and crystallography
2017 - Elsevier BV | Analytica Chimica Acta
Produção Nacional
Revisado por pares
Gabriella Pequeno Costa Gomes de Aguiar, Cláudio Manuel Gonçalves da Silva Leite, Beatriz Dias, Silvânia Maria Mendes Vasconcelos, Renata Amaral de Moraes, Maria Elisabete Amaral de Moraes, Antônio Carlos Rosário Vallinoto, Danielle S. Macêdo, Luciano Pamplona de Góes Cavalcanti, Fábio Miyajima,
Background: Arbovirus infections have steadily become a major pandemic threat. This study aimed at investigating the existence of host epigenetic markers arising from the principal arboviruses infections impacting on human health. We set to systematically review all published evidence describing any epigenetic modifications associated with infections from arboviruses, including, but not limited to, microRNAs, DNA methylation, and histone modifications. Methods: A comprehensive search was conducted ...
Tópico(s): HIV Research and Treatment
2019 - Frontiers Media | Frontiers in Immunology
Ana L.R. Silva, Álvaro Cimas, Nuno Vale, Paula Gomes, Manuel J.S. Monte, María D.M.C. Ribeiro da Silva,
technique Calvet microcalorimetry Heat capacity G3(MP2)//B3LYP composite method
Tópico(s): Free Radicals and Antioxidants
2012 - Elsevier BV | The Journal of Chemical Thermodynamics
Produção Nacional
Revisado por pares
Sérgio Souto Maior Tavares, Juan Manuel Pardal, Marcelo José Gomes da Silva, Hamilton Ferreira Gomes de Abreu, Manoel Ribeiro da Silva,
The production of low nickel austenitic stainless steels has increased considerably mainly due to nickel price evolution in the last years. In the present work, the susceptibility to deformation induced martensitic transformation of a 201 modified stainless steel was evaluated. The results were compared to existing results of traditional AISI 304 steel. The variation of martensite volume fraction against true strain was modeled by a sigmoidal equation and the transformation rate was also determined.
Tópico(s): Laser and Thermal Forming Techniques
2009 - Elsevier BV | Materials Characterization
Produção Nacional
Revisado por pares
Marcelo Luís Gomes Ribeiro, José Humberto Vilar da Silva, Manuel de Oliveira Dantas, Fernando Guilherme Perazzo Costa, Sérgio Felix de Oliveira, José Jordão Filho, Edson Lindolfo da Silva,
O experimento objetivou estimar as exigências de lisina total e a relação lisina: proteína em codornas, na fase de produção. Foram utilizadas 320 codornas, resultado do cruzamento entre a codorna japonesa e a européia de 60 a 144 dias de idade, com peso vivo médio de 178+12 g, alimentadas com rações contendo 20 e 23% de proteína bruta (PB) e, 0,80; 0,95; 1,10; 1,25 e 1,40% de lisina. O delineamento experimental foi o inteiramente ao acaso em esquema fatorial 2x5 (dois níveis de PB x cinco níveis de ...
Tópico(s): Bird parasitology and diseases
2003 - Sociedade Brasileira de Zootecnia | Revista Brasileira de Zootecnia
Rafał Bogel‐Łukasik, Nuno M. T. Lourenço, Pedro Vidinha, Marco Gomes da Silva, Carlos A. M. Afonso, Manuel Nunes da Ponte, Susana Barreiros,
The acylation of the model substrate (R,S)-2-octanol with succinic anhydride catalysed by immobilised Candida antarcticalipase B was studied in two water-miscible organic solvents, two water-immiscible ones, nine 1-alkyl-3-methylimidazolium ionic liquids (RTILs) and two quaternary ammonium RTILs. From previous reports, the reaction was expected to yield an acidic half ester (hemiester). However, it was found that the diester was also produced, in many cases at an even higher yield. The major reaction ...
Tópico(s): Analytical Chemistry and Chromatography
2008 - Royal Society of Chemistry | Green Chemistry
José R. B. Gomes, Joel F. Liebman, Manuel A.V. Ribeiro da Silva,
Tópico(s): Advanced Chemical Physics Studies
2006 - Springer Science+Business Media | Structural Chemistry
José R. B. Gomes, Manuel A.V. Ribeiro da Silva,
Abstract Density functional theory calculations at the B3LYP level of theory combined with several basis sets were carried out on the structure of bis(1,1-diethyl-3-benzoyl-thioureato) copper(II). The results obtained clearly show two minima with local cis -CuS 2 O 2 geometry, one resembling the X-ray experimental structure, in which the coordination polyhedron is a distorted tetrahedron, and the other with the CuS 2 O 2 moiety nearly planar, resembling the corresponding ureato and a similar mercapto- ...
Tópico(s): Crystallography and molecular interactions
2002 - Elsevier BV | Inorganic Chemistry Communications
José R. B. Gomes, María D.M.C. Ribeiro da Silva, Manuel A.V. Ribeiro da Silva,
In this work, the gas-phase homolytic N−H bond dissociation enthalpy (BDE) was investigated for a large series of molecules containing at least one N−H bond by means of accurate density-functional theory calculations. The molecules studied belong to different classes of compounds, namely, amines, amides and anilines, amino acids, phenoxazines, indolamines, and other compounds of general interest, such as anti-inflammatory drugs. To achieve these purposes, the (RO)B3LYP/6-311+G(2d,2p)//(U)B3LYP/6-31G* ...
Tópico(s): Chemical Thermodynamics and Molecular Structure
2004 - American Chemical Society | The Journal of Physical Chemistry A
Produção Nacional
Revisado por pares
Bruna Ferreira Gomes, F. Joschka Holzhäuser, Carlos Manuel Silva Lobo, Pollyana Ferreira da Silva, Ernesto Danieli, Marcelo Carmo, Luiz Alberto Colnago, Stefan Palkovits, Regina Palkovits, Bernhard Blümich,
In situ nuclear magnetic resonance (NMR) investigations of a Kolbe electrolysis reaction using a 43 MHz 1H NMR spectrometer were performed in this work. The electrochemical oxidative decarboxylation of biomass-derived valeric acid into the value-added product n-octane has been monitored. All reactions were conducted in nondeuterated methanolic solution, using KOH as the supporting electrolyte. The working and counter electrodes consisted of Pt wire, and Ag wire was used as a pseudo-reference electrode. ...
Tópico(s): Catalysis for Biomass Conversion
2019 - American Chemical Society | ACS Sustainable Chemistry & Engineering
Marco Ladetto, Simone Ferrero, Andrea Evangelista, Michael Mian, Alice Di Rocco, Angela Coggi, Giuseppe Rossi, Alessandro Re, Vittorio Stefoni, Federica Cavallo, Annalisa Chiappella, Armando Santoro, Chiara Rusconi, María Gomes da Silva, Manuel Gotti, Anna Lia Molinari, Filippo Ballerini, Andrés J.M. Ferreri, Alberto Bosi, Franco Narni, Caterina Stelitano, Alberto Zamò, Giovannino Ciccone, Umberto Vitolo, Maurizio Martelli, Sergio Cortelazzo,
Abstract Background. Ara-c based chemo-immunotherapy followed by autologous stem cell transplantation (ASCT) is the most effective approach in young mantle cell lymphoma (MCL) patients, though few if any patients are cured. Recent data indicate that subsequent Rituximab maintenance (RM) prolongs PFS and OS (Le Gouill NEJM 2017). Lenalidomide is an oral agent effective in MCL, considered suitable for prolonged maintenance programs, but has never been tested in this setting. The FIL MCL0208 trial (NCT02354313) ...
Tópico(s): Lung Cancer Treatments and Mutations
2018 - Elsevier BV | Blood
Produção Nacional
Revisado por pares
Simone Gomes Vieira, Manuel Sillero‐Quintana, Alisson Gomes da Silva, Karoline Ottoline Marins, João Carlos Bouzas Marins,
Exercise induces modifications in thermal homeostasis. The type of exercise may have a specific impact on skin temperature (Tsk). To analyze and compare the behavior of Tsk in a resistance training between men and women and monitor the thermal recovery response. Sixteen male and female adults (24.56 ± 3.22 years old) underwent a resistance circuit training session. They performed 3 sets of 12 repetitions with 70–80% 1 RM for lat pulldown, leg press, and biceps arm curl exercises. Thermograms were taken ...
Tópico(s): Thermography and Photoacoustic Techniques
2020 - Elsevier BV | Apunts Sports Medicine
José R. B. Gomes, María D.M.C. Ribeiro da Silva, Manuel A.V. Ribeiro da Silva,
DFT calculations have been performed to investigate the effect of several different substituents on the N–O bond dissociation enthalpies of 2-substituted-quinoxaline-1,4-dioxides. Further, the influence of electron and proton affinities and also of N–O bond dissociation enthalpies on the antitumor activity of selected compounds is analyzed. In agreement with experimental data, the calculations suggest that Tirapazamine is more active than Quindoxin due to a much easier reduction and protonation ...
Tópico(s): Chemical Reaction Mechanisms
2006 - Elsevier BV | Chemical Physics Letters
José R. B. Gomes, Luı́sa M.P.F. Amaral, Manuel A.V. Ribeiro da Silva,
The gas-phase standard molar enthalpy of formation of the 2,3,5-trichloropyridine compound was derived from the enthalpies of combustion of the crystalline solid measured by rotating-bomb calorimetry and its enthalpy of sublimation obtained by Calvet microcalorimetry at T = 298.15 K. The standard enthalpies of formation for this compound and for the other chlorosubstituted pyridines were determined by DFT calculations. The experimental enthalpy of formation of 2,3,5-trichloropyridine is (65.8 ± 2.3) ...
Tópico(s): Thermal and Kinetic Analysis
2005 - Elsevier BV | Chemical Physics Letters
Stuart Batterman, António Gomes Martins, Carlos Henggeler Antunes, Fausto Freire, Manuel Gameiro da Silva,
Educational competencies represent learning objectives and are used to plan educational programs, develop curricula, and assess existing programs, among other functions. After reviewing the literature and offerings at more than 20 universities, the existence of a comprehensive set of educational competencies in the area of energy and sustainability was not identified. This paper motivates and presents model competencies for graduate education programs in the energy and sustainability area, which ...
Tópico(s): Sustainability and Climate Change Governance
2011 - American Society of Civil Engineers | Journal of Professional Issues in Engineering Education and Practice
José R. B. Gomes, Manuel A.V. Ribeiro da Silva,
Tópico(s): Adsorption, diffusion, and thermodynamic properties of materials
2006 - Elsevier BV | Journal of Molecular Structure THEOCHEM
Ewa Bogel‐Łukasik, Marco Gomes da Silva, Isabel Nogueira, Rafał Bogel‐Łukasik, Manuel Nunes da Ponte,
Hydrogenation of monoterpenes, such as β-myrcene, in high-density carbon dioxide over 0.5 wt.% Pd, or Rh, or Ru supported on alumina was investigated. Hydrogenation catalysed by Rh and Ru is generally faster in a single supercritical (sc) phase (gaseous reagents and solid catalyst) than in a biphasic system (liquid + gas reactants + solid catalyst). The reaction catalysed by Pd occurs faster in two phases. The final composition of the reaction mixture is strongly dependent on the noble metal catalyst used ...
Tópico(s): Catalysis and Oxidation Reactions
2009 - Royal Society of Chemistry | Green Chemistry
Catarina S. Lobo, Lígia C. Gomes‐da‐Silva, Paulo Rodrigues‐Santos, António Cabrita, Manuel Santos-Rosa, Luı́s G. Arnaut,
Photodynamic therapy (PDT) relies on the administration of a photosensitizer (PS) that is activated, after a certain drug-to-light interval (DLI), by the irradiation of the target tumour with light of a specific wavelength absorbed by the PS. Typically, low light doses are insufficient to eradicate solid tumours and high fluence rates have been described as poorly immunogenic. However, previous work with mice bearing CT26 tumours demonstrated that vascular PDT with redaporfin, using a low light dose ...
Tópico(s): Angiogenesis and VEGF in Cancer
2019 - Multidisciplinary Digital Publishing Institute | Journal of Clinical Medicine
Vanessa Coelho‐Santos, Filipa L. Cardoso, Ana Magalhães, Margarida Ferreira-Teixeira, Ricardo A. Leitão, Célia Gomes, Manuel Rito, Marcos Barbosa, Carlos Ribeiro, Ana Paula Silva,
Methylphenidate (MPH) is the classic treatment for attention deficit hyperactivity disorder (ADHD) among children and adults. Despite its beneficial effects, non-medical use of MPH is nowadays a problem with high impact on society. Thus, our goal was to uncover the neurovascular and cognitive effects of MPH chronic use during a critical period of development in control conditions. For that, male Wistar Kyoto rats were treated with MPH (1.5 or 5 mg/kg/day at weekdays, per os) from P28 to P55. We concluded ...
Tópico(s): Neuroscience and Neuropharmacology Research
2018 - Elsevier BV | European Neuropsychopharmacology
Cíntia França, Beatriz B. Gomes, Élvio Rúbio Gouveia, Andreas Ihle, Manuel J. Coelho‐e‐Silva,
Background: The basketball jump shot (JS) is consensually considered as a high-complexity specific motor skill, with a complex teaching and learning processes involved. The aim of this paper was to conduct a systematic review of the literature on the JS performance among youth basketball players. Methods: The data search was made according to Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) in the Institute for Scientific Information (ISI) Web of Knowledge, PubMed, Scopus ...
Tópico(s): Sports injuries and prevention
2021 - Multidisciplinary Digital Publishing Institute | International Journal of Environmental Research and Public Health
Severiano Silva, J. Afonso, Cristina Guedes, Maria José Gomes, Virgínia Santos, Jorge Manuel Teixeira de Azevedo, A. Dias‐da‐Silva,
The relationship between ultrasound measurements and the empty body chemical composition of mature ewes was studied in two breeds. The breeds were a milk-producing breed Churra da Terra Quente—CTQ (n = 33; live weight 42.0 ± 7.3 kg, mean ± SD), and a meat breed Ile de France—IF (n = 23; live weight 60.7 ± 9.1 kg, mean ± SD). Fat and muscle depths were measured in the live animals by real-time ultrasound scanning (RTU; 7.5 MHz probe) over the 13th thoracic, and between the 3rd and 4th lumbar vertebrae, and total ...
Tópico(s): Animal Nutrition and Physiology
2016 - Elsevier BV | Small Ruminant Research