Results 41 to 50 of about 4,689,592 (208)

Dinâmica molecular ab initio:aplicações ao estudo de propriedades electrónicas de sistemas moleculares [PDF]

, 2013
Tese de doutoramento, Química (Química-Física), Universidade de Lisboa, Faculdade de Ciências, 2013O método da dinâmica molecular ab initio exibe vantagens significativas para o estudo da estrutura e propriedades electrónicas de sistemas moleculares ...
Martiniano, Hugo
core  

Rheology–Performance Framework for PA6/GO Nanocomposites via a Hybrid Processing Route

Polymer Engineering &Science, EarlyView.
Hybrid PA6/GO nanocomposites with tuned melt rheology and improved thermal–mechanical performance. ABSTRACT Balancing melt processability with stiffness and heat resistance remains a central challenge for PA6 nanocomposites. Here, graphene oxide (GO) was synthesized by a modified Hummers method and incorporated into PA6 via a hybrid route (solution ...
Caio César Nogueira de Melo, Chiara Dores do das Nascimento, Everton Granemann Souza, André Lamounier Caixeta, Cesar Augusto Gonçalves Beatrice, Luiz Antonio Pessan, Amanda Dantas de Oliveira, Fernando Machado Machado   +7 more
wiley   +1 more source

Proteínas 14-3-3 y enfermedades neurodegenerativas: una perspectiva desde la simulación computacional

ESPACIO I+D: Innovación más Desarrollo, 2022
Las enfermedades neurodegenerativas se definen como el conjunto de padecimientos que afectan a las neuronas del sistema nervioso. Ejemplos de estas enfermedades neurodegenerativas son la enfermedad de Parkinson, el Alzheimer y la Esclerosis Lateral ...
Jorge Alfonso Arvayo Zatarain, Claudio Contreras Aburto, Fernando Favela Rosales   +2 more
doaj   +1 more source

Biosurfactant production by Pseudomonas aeruginosa isolated from mining waste: From genomic analysis to development of a polymeric composite for removal of hexavalent chromium

Polymer International, EarlyView.
Biosurfactant was produced by Pseudomonas aeruginosa using andiroba waste from Amazonia. A biosurfactant–alginate composite (Alg/BioS) was successfully synthesized via ionotropic gelation, and achieved up to 70% Cr6+ removal from water. Abstract Environmental contamination by heavy metals represents a significant challenge due to their persistence in ...
Paulo Diniz Austriaco, Emilly Cruz da Silva, Glenda Sores Gomes, Joane Almeida Alves, Amanda Vidal, Leandro Argolo, Rafaela Ribeiro, Luciana Souza, José Augusto Pires Bitencourt, Leonardo Brasil Felipe, Leonie Asfora Sarubbo, Sidnei Cerqueira dos Santos   +11 more
wiley   +1 more source

Modelagem de dispositivo conversor de energia: estudo da parametrização linear do confinamento em matéria condensada e em macromoléculas [PDF]

, 2016
Anais do V Encontro de Iniciação Científica e I Encontro Anual de Iniciação ao Desenvolvimento Tecnológico e Inovação – EICTI 2016 - 05 e 07 de outubro de 2016 – Sessão Ciências Exatas e da TerraA Simulação de Dinâmica Molecular (SDM) pode propiciar ...
Apaza Choquehuanca, Rodrigo Wenceslao, Lapas, Luciano Calheiros   +1 more
core  

Análise da Pirólise de Aminoácidos sob Alta Pressão por meio de Dinâmica Molecular Reativa

Blucher Chemical Engineering Proceedings, 2018
RESUMO – Estudos experimentais mostram que a pirólise de aminoácidos sob altas pressões levam à formação de estruturas grafíticas com diferentes graus de cristalinidade.
A. C. Alonso, A. M. Christmann, Naira Maria Balzaretti, A. R. Muniz   +3 more
semanticscholar   +1 more source

Assessment of the Interaction between Ammonium Dinitramide and Isocyanurate Bonding Agents for Application on Technologies of Composite Solid Propellants

Propellants, Explosives, Pyrotechnics, EarlyView.
This work investigates the interaction of two isocyanurate‐based bonding agents with ammonium dinitramide: triallyl isocyanurate and 1,3,5‐tris(2‐hydroxyethyl) isocyanurate, which contain alkene and hydroxyl functional groups in their side chains, respectively.
Jessica O. Silva, Josiane R. C. Silva, Kamila P. Cardoso, Milton F. Diniz, Márcio Y. Nagamachi, Luiz F. A. Ferrão   +5 more
wiley   +1 more source

Scaling from microsite to landscape to resolve litter decomposition dynamics in globally extensive drylands

Functional Ecology, EarlyView.
Read the free Plain Language Summary for this article on the Journal blog. Abstract Decomposition is the transformation of dead organic matter into its inorganic constituents. In most biomes, decomposition rates can be accurately predicted with simple mathematical models, but these models have long under‐predicted decomposition in globally extensive ...
Heather L. Throop, Jiwei Li, Daryl L. Moorhead, Sasha C. Reed, Katherine E. O. Todd‐Brown, Alexi C. Besser, Dellena Evelyn Bloom, Thomas C. Ingalls, Alejandro Cueva   +8 more
wiley   +1 more source

La Era Digital en la Química Farmacéutica: Transformando el Diseño de Medicamentos con Métodos Computacionales

Revista de Química, 2023
El diseño de medicamentos se ha beneficiado significativamente de los avances en la química computacional y las redes neuronales. En este artículo, exploramos el papel fundamental que desempeñan técnicas de la química computacional como la Teoría del ...
Jesus Valdiviezo
doaj   +1 more source

Physicochemical characterization of etch‐and‐rinse adhesive system doped with catechin‐loaded polymeric microparticles

European Journal of Oral Sciences, EarlyView.
Abstract This study evaluated the incorporation of epigallocatechin‐3‐gallate (EGCG)‐loaded poly(lactide‐co‐glycolide) (PLGA) microparticles into a two‐step etch‐and‐rinse adhesive and their effects on physicochemical properties and EGCG release. EGCG was added to Single Bond 2 either directly (0.01% and 0.1% w/w) or encapsulated in PLGA 50:50 or 75:25
Jiovanne Rabelo Neri, Nadine Luisa Guimarães Albuquerque, Marcelo Victor Sidou Lemos, Monica Yamauti, Francisco Fábio Oliveira de Sousa, Vanara Florêncio Passos, Sérgio Lima Santiago   +6 more
wiley   +1 more source