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Search Results: 1 - 10 of 2887 matches for " Rodolfo;Pavanello "
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On the Subsystem Formulation of Linear-Response Time-Dependent DFT
Michele Pavanello
Physics , 2012, DOI: 10.1063/1.4807059
Abstract: A new and thorough derivation of linear-response subsystem time-dependent density functional theory (TD-DFT) is presented and analyzed in detail. Two equivalent derivations are presented and naturally yield self-consistent subsystem TD-DFT equations. One reduces to the subsystem TD-DFT formalism of Neugebauer [J. Chem. Phys. 126, 134116 (2007)10.1063/1.2713754]. The other yields Dyson type equations involving three types of subsystem response functions: coupled, uncoupled, and Kohn-Sham. The Dyson type equations for subsystem TD-DFT are derived here for the first time. The response function formalism reveals previously hidden qualities and complications of subsystem TD-DFT compared with the regular TD-DFT of the supersystem. For example, analysis of the pole structure of the subsystem response functions shows that each function contains information about the electronic spectrum of the entire supersystem. In addition, comparison of the subsystem and supersystem response functions shows that, while the correlated response is subsystem additive, the Kohn-Sham response is not. Comparison with the non-subjective partition DFT theory shows that this non-additivity is largely an artifact introduced by the subjective nature of the density partitioning in subsystem DFT.
Influence of Phosphoric Acid Etching on the Bond Strength of a Universal Adhesive System to Caries-Affected Dentin  [PDF]
Renata Pavanello, Sérgio Luiz Pinheiro
Advances in Biological Chemistry (ABC) , 2018, DOI: 10.4236/abc.2018.83004
Abstract: The purpose of this study was to evaluate the influence of acid etching on the bond strength of a universal adhesive system (Single Bond Universal, 3M) to caries-affected dentin. Forty permanent third molars were selected and carious lesions were induced by the microbiological method with?S. mutans?ATCC25175. Teeth were allocated randomly across four experimental designs (n=10): PA-I: phosphoric acid etching and application of the adhesive system, followed by immediate microtensile bond strength testing; PA-CC: phosphoric acid etching and application of the adhesive system, followed by microtensile bond strength testing after a 14-day cariogenic challenge; NPA-I: application of the adhesive system without acid etching, followed by immediate bond strength testing and NPA-CC: application of the adhesive system without acid etching followed by bond strength testing after 14-day cariogenic challenge. For microtensile bond strength testing,a restoration with Charisma composite resin was made and each specimen was sectioned with a cross-sectional area of 1 mm2. Only adhesive and mixed fractures were considered for bond strength calculation. Results were evaluated by the Kruskal-Wallis and Friedman tests. The highest bond strengths were observed in the phosphoric acid etching groups (p<0.05). Cariogenic challenge did not affect bond strength (p>0.05). The predominant fracture type was adhesive. We conclude that phosphoric acid increased the bond strength of the Single Bond Universal system to caries-affected dentin, and
Numerical methods for the dynamics of unbounded domains
Mesquita, Euclides;Pavanello, Renato;
Computational & Applied Mathematics , 2005, DOI: 10.1590/S0101-82052005000100001
Abstract: the present article discusses the relation between boundary conditions and the sommerfeld radiation condition underlying the dynamics of unbounded domains. it is shown that the classical dirichlet, neumann and mixed boundary conditions do not fulfill the radiation condition. in the sequence, three strategies to incorporate the radiation condition in numerical methods are outlined. the inclusion of infinite elements in the realm of the finite element method (fem), the dirichlet-to-neumann (dtn) mapping and the boundary element method (bem) are described. examples of solved dynamic problems in unbounded domains are given for the helmholtz and the navier operators. the advantages and limitations of the methodologies are discussed and pertinent literature is provided.
Displacement in urban areas:implications for humanitarian action
Sara Pavanello,Marzia Montemurro
Forced Migration Review , 2010,
Abstract: IDPs and refugees living in urban contexts are most often beyondthe reach of humanitarian and development agencies and outsideformal assistance structures.
De linguagem, matemática e constru o do conhecimento: algumas reflex es para a prática educativa = On language, mathematics and knowledge building: some reflections on educational practice
Regina Maria Pavanello
Acta Scientiarum : Human and Social Sciences , 2007,
Abstract: é tal a facilidade com que utilizamos a linguagem para nos comunicarmos com os outros e para interpretarmos o que eles nos dizem, que acreditamos ser ela transparente, de compreens o imediata. Estudos conduzidos na área da lingüística, contudo, demonstram que essa transparência é aparente, pois seu suporte, a língua materna, está sujeita a indetermina es, ambigüidades, duplos sentidos. Ter este fato em mente é ainda mais importante quando pensamos na sala de aula e nas intera es que aí se concretizam a partir da linguagem, uma vez que na comunica o no ambiente escolar as diferen as entre ossujeitos envolvidos, tanto em rela o ao domínio da língua materna quanto ao dos conhecimentos específicos, fazem parte integrante das situa es do dia-a-dia. Por esse motivo, nas aulas de matemática é importante que o professor ou a seus alunos, deixe que eles exponham suas dúvidas e questionamentos. O objetivo deste texto é discutir, a partir de resultados de pesquisas na área da educa o matemática, se a comunica o que se estabelece em sala de aula entre os sujeitos do processo educacional por meio da linguagem propicia ou n o a constru o do conhecimento matemático pelos alunos. The easiness by which we use language to communicate with others and to interpret what others say leads us to believe that language is transparent and of immediate comprehension. Linguistic studies, however, show that such transparency is illusory since the mother language is rife with indeterminations, ambiguities and dual meanings. Such reflections become even more important when we consider the classroom and the interactions that take place through language. This is because in school communication, the differences between the subjects involved, as long as mother language and specific knowledge are concerned, are part and parcel of every daysituations. Therefore, it is important for the Math teacher to listen to the students and leave them at ease to expound their doubts and formulate their questions. Grounded on the results of research in mathematical education field, the objective of this paper is to discuss whether the communication which takes place in the classroom between the subjects in the educational process by means of language favors or not the building of mathematical knowledge by the students.
Claude Lévi-Strauss: uno sguardo da vicino. Colloquio con Mariano Pavanello
Caterina Gerardi,Mariano Pavanello
Antrocom : Online Journal of Anthropology , 2007,
Numerical methods for the dynamics of unbounded domains
Euclides Mesquita,Renato Pavanello
Computational and Applied Mathematics , 2005,
Abstract: The present article discusses the relation between boundary conditions and the Sommerfeld radiation condition underlying the dynamics of unbounded domains. It is shown that the classical Dirichlet, Neumann and mixed boundary conditions do not fulfill the radiation condition. In the sequence, three strategies to incorporate the radiation condition in numerical methods are outlined. The inclusion of Infinite Elements in the realm of the Finite Element Method (FEM), the Dirichlet-to-Neumann (DtN) mapping and the Boundary Element Method (BEM) are described. Examples of solved dynamic problems in unbounded domains are given for the Helmholtz and the Navier operators. The advantages and limitations of the methodologies are discussed and pertinent literature is provided.
Quantifying Environmental Effects on the Decay of Hole Transfer Couplings in Biosystems
Pablo Ramos,Michele Pavanello
Physics , 2013,
Abstract: In the past two decades, many research groups worldwide have tried to understand and categorize simple regimes in the charge transfer of such biological systems as DNA. Theoretically speaking, the lack of exact theories for electron-nuclear dynamics on one side, and poor quality of the parameters needed by model Hamiltonians and nonadiabatic dynamics alike (such as couplings and site energies) on the other, are the two main difficulties for an appropriate description of the charge transfer phenomena. In this work, we present an application of a previously benchmarked and linear-scaling subsystem DFT method for the calculation of couplings, site energies and superexchange decay factors ($\beta$) of several biological donor-acceptor dyads, as well as double stranded DNA oligomers comprised of up to 5 base pairs. The calculations are all-electron, and provide a clear view of the role of the environment on superexchange couplings in DNA - they follow experimental trends and confirm previous semiempirical calculations. The subsystem DFT method is proven to be an excellent tool for long-range, bridge-mediated coupling and site energy calculations of embedded molecular systems.
Interven??o coronária percutanea em pontes de veia safena com uso de stents farmacológicos: resultados agudos e tardios dos pacientes incluídos no registro DESIRE
Costa Jr., Jose de Ribamar;Sousa, Amanda G. M. R.;Moreira, Adriana;Costa, Ricardo;Maldonado, Galo;Cano, Manuel;Pinto, Ibraim;Campos, Cantídio;Staico, Rodolfo;Feres, Fausto;Dib, Maria Helena;Pavanello, Ricardo;Sousa, J. Eduardo;
Revista Brasileira de Cardiologia Invasiva , 2009, DOI: 10.1590/S2179-83972009000200012
Abstract: introduction: despite the advent of drug-eluting stents, per-cutaneous coronary interventions in saphenous vein bypass grafts remain a challenge, with a high incidence of early complications and uncertainty regarding late outcomes. this study was aimed at evaluating clinical outcomes of patients with saphenous vein graft lesions treated with drug-eluting stents. method: from may 2002 to january 2009, a total of 151 patients with 196 saphenous vein graft lesions were consecutively submitted to percutaneous coronary intervention with 211 drug-eluting stents and included in this trial. patients were pretreated with enoxiparin, clopidogrel and acetylsalicylic acid for 3 to 5 days prior to percutaneous coronary intervention. dual antiplatelet therapy (acetylsalicylic acid + clopidogrel) was prescribed for 12 months. the objective was to determine the rate of major adverse cardiac events (mace) during hospitalization and in the long-term. clinical follow-up was obtained at 1, 6 and 12 months and then, yearly after that. results: mean age was 68.2 years, with a prevalence of male patients (89.1%). diabetes mellitus was observed in 30.7% cases and mean age of venous grafts was 10.4 years. angiographic success was obtained in 98.2% of the cases. during hospitalization, mace rate was 8.7%, especially due to post-procedural enzyme increase (7.1%). in the first follow-up year, the rate of mace increased to 14.2%, with a 3.9% rate of target-lesion revascularizations. in the late follow-up (mean of 2.6 years), the rate of mace increased to 28.5%, with 6.0% of cardiac deaths and 16.6% of acute myocardial infarctions. five cases of thrombosis (all of them definitive) were observed in this population. conclusion: in the present subanalysis of the desire registry, the use of optimized antithrombotic therapy (acetylsalicylic acid + thienopyridines + low molecular weight heparin, for 3 to 5 days before the intervention) and the use of drug-eluting stents for the treatment of saphenous
Implante de stent farmacológico para o tratamento da reestenose de outro stent farmacológico: análise tardia do Registro DESIRE
Costa Jr., José de Ribamar;Sousa, Amanda G. M. R.;Moreira, Adriana C.;Costa, Ricardo Alves da;Maldonado, Galo;Gano, Manuel N.;Pinto, Ibraim;Campos, Cantídio;Staico, Rodolfo;Dib, Maria Helena;Pavanello, Ricardo;Sousa, J. Eduardo;
Revista Brasileira de Cardiologia Invasiva , 2008, DOI: 10.1590/S2179-83972008000300006
Abstract: background: despite the marked reduction in restenosis rates following drug-eluting stent (des) use, this complication still happens in 5%-25% of the cases. the natural history and the best treatment for des in-stent restenosis are still to be defined. methods: between may 2002 and november 2007, all consecutive cases of des restenosis treated with another des were included in this registry. the type of des to be deployed was at the surgeon's discretion. follow-up data were obtained at 1, 6, and 12 months and then annually. the primary endpoint of this study was the incidence of combined major cardiac events (mace). results: of the 45 patients (53 lesions) submitted to new percutaneous coronary intervention (pci) with des, 66.6% were men. diabetes mellitus was observed in 35.5% of the patients. most in-stent restenosis were focal (75%). reference vessel diameter and lesion length were 2.99 ± 0.5 mm and 11.33 ± 5.8 mm, respectively. a different type of des was preferred in 28% of the cases. angiographic success was achieved in all cases. clinical data of all population were obtained (mean 2.7 ± 1.1 years). in the long term, the cumulative rate of mace was 13.3%, and 5 (11.1%) patients manifested recurrent symptoms. conclusions: the use of a des to treat a previous des in-stent restenosis represents a safe and efficient approach, with low rates of adverse events in the short and long terms.
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