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,
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
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,
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
João Soares‐Fernandes, Roseli Teixeira-Gomes, Romeu Cruz, Manuel Ribeiro, Z Magalhães, Jaime F. Rocha, Lara M. Leijser,
Tópico(s): Neonatal and fetal brain pathology
2008 - Springer Science+Business Media | Pediatric Radiology
Carina Ramos, Carina Ladeira, Sofia Zeferino, Ana Carolina Soares Dias, Isabel Hub Faria, Elisabete Cristovam, Manuel C. Gomes, Edna Ribeiro,
Bisphenol A (BPA) is one of the most widely utilized endocrine disruptors to which humans are exposed, particularity through ingestion. BPA is an aneugenic compound with a putative association to tumorigenesis. Although extensively studied in estrogen responsive cells, information regarding its effects on cells from the upper gastrointestinal tract exposed to free/active forms of BPA is still scarce. Similarly, BPA interactions with other drugs have been neglected, although it has been suggested ...
Tópico(s): Carcinogens and Genotoxicity Assessment
2018 - Elsevier BV | Mutation Research/Genetic Toxicology and Environmental Mutagenesis
Produção Nacional
Revisado por pares
Aline Gomes, Angélica Lauria do Nascimento Mello, Manuel Gustavo Leitão Ribeiro, Diogo Gomes Garcia, Clóvis Orlando da Fonseca, Marcela D Salazar, Axel H. Schönthal, Thereza Quírico‐Santos,
Tópico(s): Coenzyme Q10 studies and effects
2017 - Springer Science+Business Media | Archivum Immunologiae et Therapiae Experimentalis
Alexandre Gonçalves, Ermelinda Silva, Cátia Brito, Sandra Martins, Luís Pinto, Lia‐Tânia Dinis, Ana Luzio, Carlos Martins‐Gomes, Anabela Fernandes‐Silva, Carlos Ribeiro, Manuel Ângelo Rodrigues, José Moutinho‐Pereira, Fernando M. Nunes, Carlos M. Correia,
Abstract BACKGROUND Cropping practices focusing on agronomic water use efficiency and their impact on quality parameters must be investigated to overcome constraints affecting olive groves. We evaluated the response of olive trees ( Olea europaea , cv. ‘Cobrançosa’) to different water regimes: full irrigation (FI, 100% crop evapotranspiration (ET c )), and three deficit irrigation strategies (DIS) (regulated (RDI, irrigated with 80% of crop evapotranspiration (ET c ) in phases I and III of fruit growth and 10% of ...
Tópico(s): Plant Water Relations and Carbon Dynamics
2019 - Wiley | Journal of the Science of Food and Agriculture
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
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
Tiago Miranda, A. Gomes Correia, Manuel Filipe Santos, Luís Ribeiro e Sousa, Paulo Cortez,
Due to the inherent geological complexity and characterization difficulties in rock formations, the evaluation of geomechanical parameters is very complex, mostly in the initial project stages and in small-scale geotechnical works, where information is scarce for the definition of an accurate geotechnical model. However, in large geotechnical projects, a great amount of data are produced and used to establish near-homogeneous geotechnical zones. If properly analyzed, these data can provide valuable ...
Tópico(s): Grouting, Rheology, and Soil Mechanics
2010 - American Society of Civil Engineers | International Journal of Geomechanics
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
Ana Margarida Gomes, Maria V. D. Soares, P. Ribeiro, José Manuel Peixoto Caldas, Vanda Póvoa, Leila R. Martins, Alice Melão, Ana Serra‐Caetano, Ana Berta Sousa, João F. Lacerda, João T. Barata,
Adult B-cell acute lymphoblastic leukemia remains a major therapeutic challenge, requiring a better characterization of the molecular determinants underlying disease progression and resistance to treatment. Here, using a phospho-flow cytometry approach we show that adult diagnostic B-cell acute lymphoblastic leukemia specimens display PI3K/Akt pathway hyperactivation, irrespective of their BCR-ABL status and despite paradoxically high basal expression of PTEN, the major negative regulator of the ...
Tópico(s): Acute Lymphoblastic Leukemia research
2014 - Ferrata Storti Foundation | Haematologica
Produção Nacional
Revisado por pares
João Bráullio de Luna Sales, Péricles Sena do Rêgo, Alexandre Wagner Silva Hilsdorf, Angela Aparecida Moreira, Manuel Haimovici, Acácio Ribeiro Gomes Tomás, Bruno Braulino Batista, Reynaldo Amorim Marinho, Unai Markaida, Horácio Schneider, Iracilda Sampaio,
The genus Octopus occurs in tropical and temperate oceanic waters throughout the world, and currently includes 112 species, although the phylogenetic relationships among the different taxa are still poorly understood. The cosmopolitan Octopus vulgaris is one of the most widely analyzed cephalopods in genetic studies, primarily because of its ample range and the problems associated with the morphological identification of specimens, which indicate the possible existence of a species complex with ...
Tópico(s): Chemical synthesis and alkaloids
2013 - National Shellfisheries Association | Journal of Shellfish Research
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
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
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
Produção Nacional
Revisado por pares
Sérgio Souto Maior Tavares, S. R. Mello, A. M. Gomes, J. M. Neto, Manoel Ribeiro da Silva, Juan Manuel Pardal,
Tópico(s): Magnetic Properties and Applications
2006 - Springer Science+Business Media | Journal of Materials Science
Nuno Gomes, Manuel Ribeiro da Silva, Hélder Pereira, R Aido, Ricardo Sampaio,
Tenodesis of the long head of the biceps (LHB) tendon has long been recognized as a valid alternative to address pathologic conditions of this tendon. However, the location and type of fixation is still a matter of discussion, because common complications associated with this procedure include failure of the repair, persistent pain, reaction to the fixation device, cosmetic deformity, and fracture. The authors describe a method of subpectoral LHB tenodesis that aims to preserve bone stock and allows ...
Tópico(s): Shoulder and Clavicle Injuries
2017 - Elsevier BV | Arthroscopy Techniques
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
Rodolfo Gomes, Luis Sismeiro, Carlos Ribeiro, Telmo R. Fernandes, Manuel García Sánchez, Akram Hammoudeh, Rafael Caldeirinha,
In this paper, the real-time over-the-air multi-gigabit wideband wireless orthogonal frequency division multiplexing (OFDM) system performance, using two distinct radio frequency (RF) front-ends designed for the millimetre frequency band (mmWave), is evaluated. A thorough comparative analysis between 60-GHz cutting-edge commercial off-the-shelf and reference RF front-ends, taking into account their intrinsic RF impairments and their impact on the overall system performance degradation, is presented. ...
Tópico(s): Power Line Communications and Noise
2018 - Institute of Electrical and Electronics Engineers | IEEE Access
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
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
Joana A. Loureiro, Bárbara Gomes, Gert Fricker, Isabel Cardoso, Carlos A. Ribeiro, Cristiana Gaiteiro, Manuel A. N. Coelho, Maria do Carmo Pereira, Sandra Rocha,
Drug delivery systems that can reach brain areas affected by amyloid deposits are still underdeveloped. We propose pegylated liposomes functionalized with two antibodies, the anti-transferrin receptor monoclonal antibody (OX26MAb) and the anti-amyloid beta peptide antibody (19B8MAb), as nanocarriers of drugs for Alzheimer's disease therapy. Two distinct conjugation methods are investigated. In one formulation, the OX26MAb is conjugated to the tip of polyethylene glycol molecules through the maleimide ...
Tópico(s): Advanced Drug Delivery Systems
2015 - Elsevier BV | Colloids and Surfaces B Biointerfaces
José R. B. Gomes, María D.M.C. Ribeiro da Silva, Vera L.S. Freitas, Manuel A.V. Ribeiro da Silva,
A static bomb calorimeter has been used to measure the standard molar energy of combustion, in oxygen, at T = 298.15 K, of a commercial sample of cytosine. From this energy, the standard (p° = 0.1 MPa) molar enthalpy of formation in the crystalline state was derived as −(221.9 ± 1.7) kJ·mol-1. This value confirms one experimental value already published in the literature but differs from another literature value by 13.5 kJ·mol-1. Using the present standard molar enthalpy of formation in the condensed phase ...
Tópico(s): Free Radicals and Antioxidants
2007 - American Chemical Society | The Journal of Physical Chemistry A
Produção Nacional
Revisado por pares
Sérgio Souto Maior Tavares, Manoel Ribeiro da Silva, Juan Manuel Pardal, Hamilton Ferreira Gomes de Abreu, Ângelo Gomes,
Plastic deformation by cold rolling produces important changes on microstructure of the duplex stainless steel UNS S31803. Structure refinement and martensitic transformation were detected and analyzed by microscopy, X-ray diffraction and magnetic measurements. True deformations in the range of 0.92–3.38 were applied. The maximum amount of α′ martensite was 30.2% obtained with the maximum deformation applied (3.38). The annealing at 400 °C promotes a further increase of α′ martensite content, as observed ...
Tópico(s): Magnetic Properties and Applications
2006 - Elsevier BV | Journal of Materials Processing Technology
M.C.S. Ribeiro, Inês B. Gomes, María José Saavedra, Manuel Simões,
Abstract The advent of antimicrobial resistance has added considerable impact to infectious diseases both in the number of infections and healthcare costs. Furthermore, the relentless emergence of multidrug-resistant bacteria, particularly in the biofilm state, has made mandatory the discovery of new alternative antimicrobial therapies that are capable to eradicate resistant bacteria and impair the development of new forms of resistance. Amongst the therapeutic strategies for treating biofilms, ...
Tópico(s): Ocular Infections and Treatments
2022 - Oxford University Press | Letters in Applied Microbiology
Anabela Susana de Sousa Gonçalves, Ana Filipa Mourão, António Martinho, Olívia Simões, José Melo‐Gomes, Manuel Salgado, Paula Estanqueiro, Célia Ribeiro, Iva Brito, João Eurico Fonseca, Helena Canhão,
Fabry’s disease (FD) is a lysosomal storage disorder associated with an alpha-galactosidase A deficiency. The prevalence of Fabry’s disease among juvenile idiopathic arthritis (JIA) patients with established diagnosis is unknown, but as musculoskeletal pain may be an important complaint at presentation, misdiagnosed cases are anticipated. With this study, we aim to calculate the frequency of FD associated mutations in a cohort of JIA patients. Children with JIA from a national cohort were selected. ...
Tópico(s): Autoimmune and Inflammatory Disorders Research
2017 - Frontiers Media | Frontiers in Medicine
Produção Nacional
Revisado por pares
Marcos Naoyuki Samano, Hélio Minamoto, Jader Joel Machado Junqueira, Kleiton Gabriel Ribeiro Yamaçake, Herbeni Gomes, Alessandro Wasum Mariani, Paulo Manuel Pêgo‐Fernandes, Fábio Biscegli Jatene,
Bronchial complications owing to the airway anastomosis in lung transplantation are important causes of morbidity and mortality. They occur in up to 27% of cases as defined by stenosis, necrosis, and dehiscence. Treatment depends on the type of complication.To report our experience to treat this complication.Between 2000 and 2007, we performed 71 lung transplants of which 36 were bilateral. The total number of anastomoses was 107:52 to the right and 55 to the left. The telescoping technique was ...
Tópico(s): Medical Imaging and Pathology Studies
2009 - Elsevier BV | Transplantation Proceedings