Results 51 to 60 of about 4,029,571 (205)

Una guía para la estimación de la tensión interfacial y el espesor de la interface de un sistema agua/hidrocarburo usando el programa gromacs-4.5.4

open access: yesEducación Química, 2021
La dinámica molecular es una herramienta muy útil para estudiar los fenómenos interfaciales. Aquí se presenta un procedimiento usando el programa GROMACS-4.5.4, el cual es empleado en el laboratorio de fisicoquímica, para estimar la tensión interfacial y
José Gregorio Parra Figueredo   +2 more
doaj   +1 more source

Carbon/TiO2 Materials From Textile Waste: A Sustainable Approach for Dye Removal

open access: yesEnvironmental Quality Management, Volume 35, Issue 3, Spring 2026.
ABSTRACT This study synthesized carbon/TiO2 composites from textile waste through titanium isopropoxide impregnation and calcination to address dye contamination in wastewater. The composites exhibited enhanced specific surface area and pore volume with higher TiO2 content.
Brendah Isabelly Moreira Santos   +4 more
wiley   +1 more source

Anti‐Inflammatory and Lipid Metabolism Modulatory Effects of Lantana camara L. Extract, With Enhanced Fibroblast Migration

open access: yesChemistry &Biodiversity, Volume 23, Issue 2, February 2026.
This graphical abstract represents the main results of the study. It highlights the plant species under investigation: Lantana camara L. ABSTRACT Inflammation is a complex process associated with various chronic diseases. Lantana camara L., widely used in traditional medicine, exhibits diverse bioactivities, though its effects on lipid metabolism ...
Ari S. de O. Lemos   +8 more
wiley   +1 more source

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

open access: yes, 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   +5 more
semanticscholar   +1 more source

Preferential Solvation by Trifluoroethanol Drives α‐Helical Folding in the Disordered S2 Region of the Escargot Protein

open access: yesChemPhysChem, Volume 27, Issue 3, February 2026.
A disordered S2 region of the Escargot protein forms helices which are stabilized by TFE and are correlated with molecular recognition. The N‐terminal domain of the Drosophila melanogaster Escargot transcription factor (Esg) is an intrinsically disordered region (IDR) that complements the DNA‐binding activity of its C‐terminal zinc fingers. Within this
Vinicius Piccoli   +5 more
wiley   +1 more source

ORIGEN DE LA ANOMALÍA EN EL ESPECTRO DE FONONES DEL La2CuO4

open access: yesAnales (Asociación Física Argentina), 2013
En este trabajo mostramos que la excitación adicional observada en el espectro de fonones del La2CuO4 puede tener su origen en las fluctuaciones de carga del Cu.
A. Dobry   +3 more
doaj  

MODELAGEM TERMODINÂMICA DE SISTEMAS ASSOCIATIVOS: AVALIAÇÃO DA EXTENSÃO DA AUTO-ASSOCIAÇÃO DE ÁLCOOIS EM MISTURAS COM COMPOSTOS INERTES POR MEIO DE DINÂMICA MOLECULAR

open access: yes, 2017
RESUMO – Este trabalho tem por objetivo estudar, do ponto de vista de modelagem termodinâmica, a auto-associação de um álcool em mistura com componentes inertes. Neste contexto, entende-se auto-associação como a capacidade das moléculas de um composto em
H. M. Martins   +2 more
semanticscholar   +1 more source

Valorization of Green Coconut Husk Powder for the Sustainable Production of Levulinic Acid

open access: yesChemistrySelect, Volume 11, Issue 6, 12 February 2026.
Green coconut husk powder, an abundant agroindustrial waste, is valorized into levulinic acid through aluminum sulfate catalysis. The sustainable process achieves 42.9% yield under mild conditions, contributing to circular bioeconomy principles and waste‐to‐chemical strategies.
Poliana Pinheiro da Silva   +6 more
wiley   +1 more source

Patterns of Interploidy Admixture in Polyploid Complexes: Insights From Thymus Sect. Mastichina (Lamiaceae)

open access: yesMolecular Ecology, Volume 35, Issue 3, February 2026.
ABSTRACT Understanding gene flow between ploidy levels in polyploid complexes is essential for species delimitation and conservation. This study explores evolutionary dynamics in the polyploid complex Thymus sect. Mastichina (Lamiaceae), comprising three taxa: T. mastichina subsp. mastichina, T. mastichina subsp.
Francisco José García‐Cárdenas   +7 more
wiley   +1 more source

PROPIEDADES TERMODINÁMICAS DE SISTEMAS METÁLICOS UTILIZANDO SIMULACIONES DE DINÁMICA MOLECULAR

open access: yesAnales (Asociación Física Argentina), 2013
Mediante simulaciones de dinámica molecular estudiamos el comportamiento térmico de diferentes sistemas metálicos tales como: Al, Cu, Ni, Ti y Zr, cohesionados con potenciales interatómicos de átomo embebido con excepción del Cu, para el que se utilizó ...
M. García Ortega   +2 more
doaj  

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