Molecular details of ovalbumin solvation by an aqueous solution of xylitol in different pH environment: ultrasonic and molecular simulation studies

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dc.creatorK. Swenthira
dc.creatorKaique Mendes de Souza
dc.creatorLaudelina Ferreira de Andrade
dc.creatorCharles Martins Aguilar
dc.creatorCaroline Honaiser Lescano
dc.creatorIvan Pires de Oliveira
dc.creatorVeerappan Velusamy
dc.date.accessioned2024-09-24T15:40:59Z
dc.date.accessioned2025-09-09T00:47:53Z
dc.date.available2024-09-24T15:40:59Z
dc.date.issued2023
dc.description.sponsorshipFAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Gerais
dc.identifier.doihttps://doi.org/10.1016/j.molliq.2023.122477
dc.identifier.issn0167-7322
dc.identifier.urihttps://hdl.handle.net/1843/76846
dc.languageeng
dc.publisherUniversidade Federal de Minas Gerais
dc.relation.ispartofJournal of Molecular Liquids
dc.rightsAcesso Restrito
dc.subjectOvos -- Proteínas
dc.subjectXilitol
dc.subjectDinamica molecular
dc.subjectTensão superficial
dc.subject.otherOvos -- Proteínas
dc.subject.otherXilitol
dc.subject.otherDinamica molecular
dc.subject.otherTensão superficial
dc.titleMolecular details of ovalbumin solvation by an aqueous solution of xylitol in different pH environment: ultrasonic and molecular simulation studies
dc.typeArtigo de periódico
local.citation.epage9
local.citation.spage1
local.citation.volume386
local.description.resumoArtificial sweetener-protein interactions are playing a major role in enhancing the functional properties of protein-based food and pharmaceutical products. This article discusses the molecular details of ovalbumin (OA) solvation in an aqueous solution of xylitol (XY) in different pH environments. This task can be accomplished by both Ultrasonic and Molecular Simulation studies. In ultrasonic studies, density, ultrasound velocity, viscosity, and surface tension have been measured for OA in various pH of phosphate buffer with and without XY. Further, some of the calculated parameters such as adiabatic compressibility, intermolecular free length, free volume, etc have been worked out. From ultrasonic results, pH dependent preferential hydration of OA was noticed in the presence of XY in an aqueous environment. In Molecular Dynamics Simulation (MDS) studies, water and XY accumulation to OA surface for different pH models were analyzed. The different states of protonation of the OA surface promote two distinct effects on the solvent and cosolvent orientation.
local.publisher.countryBrasil
local.publisher.departmentICA - INSTITUTO DE CIÊNCIAS AGRÁRIAS
local.publisher.initialsUFMG
local.url.externahttps://www.sciencedirect.com/science/article/pii/S0167732223012813

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