Results 71 to 80 of about 4,704,792 (166)

ESTUDO DE POTENCIAIS INIBIDORES DA SUBTILISINA 1 DE PLASMODIUM FALCIPARUM POR DINÂMICA MOLECULAR

Anais dos Seminários de Iniciação Científica, 2019
A malária é uma doença infecciosa caracterizada por episódios febris, causada peloprotozoário do gênero Plasmodium ssp. P. falciparum é o principal responsável pelaforma mais grave da doença, a malária cerebral (BLACKMAN et al., 2012) que podelevar a ...
T. D. Cardoso
semanticscholar   +1 more source

Synthesis and Characterization of Novel Silylated Sm3+ and Eu3+ Complexes Incorporated Into Mesoporous Silica Nanoparticles

European Journal of Inorganic Chemistry, Volume 29, Issue 19, 2 July 2026.
The strategy of incorporating the Eu(tta‐Si)3(phen) and Sm(tta‐Si)3(phen)2 complexes prevented leaching of the complexes and preserved their intrinsic optical properties. Preliminary studies of silylated Ln3+ complexes and nanoparticles loaded with these complexes demonstrated cytotoxicity against cancer cells, with minimal cytotoxic effect on nontumor
Juliana Jorge, Jaqueline Rodrigues da Silva, Diego Boldo, Kristiane Fanti Del Pino Santos, Luana da Silva Oliveira, Adriana Pereira Duarte, Gustavo Rocha de Castro, Ariadna Lafourcade Prada, Jesús Rafael Rodríguez Amado, Marc Verelst, Vasilii Khripun, Marco Antonio Utrera Martines   +11 more
wiley   +1 more source

DINÂMICA MOLECULAR DA ADSORÇÃO DE PREDNISOLONA EM UM MODELO DE SURFACTANTE PULMONAR

, 2018
A simulacao da adsorcao da prednisolona em um modelo de surfactante pulmonar foi realizada com sucesso usando dinâmica molecular coarse grained a uma temperatura de 310 K.
E. Lopez
semanticscholar   +1 more source

Dinâmica molecular: teoria e aplicações em planejamento de fármacos

Eclética Química, 2018
Molecular dynamics (MD) is a powerful computational tool used for rational drug design in medicinal chemistry. MD is an extension of Molecular Mechanics, where the dynamic behavior of a molecular system is simulated through numerical integration of the ...
Adriana Mieco Namba, Vinícius Barreto da Silva, Carlos Henrique Tomich de Paula da Silva   +2 more
doaj   +1 more source

Atomic Layer Deposition Processes: Versatile Platforms for Engineering ZnO‐Chitosan Biointerfaces

Advanced Healthcare Materials, Volume 15, Issue 26, 10 July 2026.
Vapour phase metalation (VPM), multiplied pulsed vapour phase infiltration (MPI), and O2 plasma‑enhanced atomic layer deposition (PEALD) tailor Zn–chitosan (Zn‑CS) films. PEALD improves wettability and biocompatibility. MPI enhances semiconductor behavior. Antiseptic selectivity: VPM → E. coli; MPI → H. pylori.
Mabel Moreno, Anjana Devi, David Zanders, Miryam Arredondo, Davide Mariotti, Ruairi McGlynn, Sindy Devis, Simón Guerrero, Eglantina Benavente, Matias Alegría, Yusser Olguin, Lorena Lobos‐Gonzalez, Kevin Guzmán, Elizabeth Rivas‐Yañez, Paula Solar, Valentin Cepus, Michael Krause, Luis Velásquez   +17 more
wiley   +1 more source

La dinámica molecular es una película a escala nanoscópica

Educación Química
Las simulaciones de dinámica molecular se han vuelto cada vez más accesibles a la comunidad científica, permitiendo el estudio detallado de sistemas a escala nanoscópica con una resolución comparable a una "película" en tiempo real.
Adrián Durán Vargas, Juan Felipe Avellaneda Tamayo, José Luis Medina Franco, Enrique García Hernández   +3 more
doaj   +3 more sources

Comportamiento del SDS localizado en la región interfacial del sistema agua/n-octano. Un estudio usando dinámica molecular

ACI Avances en Ciencias e Ingenierías, 2016
En este trabajo, usando dinámica molecular se determinaron las propiedades interfaciales y el comportamiento del Dodecil Sulfato de Sodio (SDS) ubicado en la región interfacial de los sistemas vacío/agua y agua/n-octano.
José Gregorio Parra, Yosslen R. Aray
doaj   +1 more source

Manganese‐Doped Mesoporous Bioactive Glasses

International Journal of Ceramic Engineering &Science, Volume 8, Issue 4, July 2026.
Mn‐containing, P2O5‐free 85S mesoporous bioactive glasses (MBGs) with the composition (85SiO2–(15 − x)CaO–xMnO mol%, x = 1, 2, 3, and 4) were synthesized and characterized. The glasses retained mesoporosity, enabling rapid hydroxycarbonate apatite formation and supporting cytocompatibility.
Emanuela C. Luna, Eunice P. N. Lima, Patrícia M. Sampaio, Suédina M. L. Silva, Ricardo D. Castro, Fábio C. Sampaio, Marcus V. L. Fook, Maziar Montazerian   +7 more
wiley   +1 more source

Estudo Teórico dos Parâmetros Estruturais da Cafeína no Vácuo Usando Dinâmica Molecular de Car-Parrinello

, 2017
A cafeina e uma das substâncias mais utilizadas no mundo. E classificada como um alcaloide que pertence ao grupo das metilxantinas (1,3,7 - timetilxantina).
E. Toledo, Andressa Siqueira, Tatiane V. Santosa, F. S. Ribeiro, A. J. Camargo, S. Oliveira   +5 more
semanticscholar   +1 more source

Fine‐scale patterns of genetic structure in three species of forest birds reveal dynamic Pleistocene history within an Amazonian interfluve

Ibis, Volume 168, Issue 3, Page 972-984, July 2026.
Phylogeographical studies of Amazonian birds have revealed large intraspecific diversity, even within recognized areas of endemism. To understand the origin and organization of Amazonian diversity, including the influence of current and historical landscapes, we need to evaluate fine‐scale patterns of genetic diversity in relation to detailed ...
Affonso Henrique Nascimento de Souza, Camila Duarte Ritter, João Marcos Guimarães Capurucho, Juliana Menger, Camila Cherem Ribas   +4 more
wiley   +1 more source