Computational and experimental approaches for chitosan-based nano PECs design: Insights on a deeper comprehension of nanostructure formation

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.contributorUniversidade Estadual Paulista (Unesp)-
Autor(es): dc.contributorFederal Institute of Mato Grosso (IFMT)-
Autor(es): dc.creatorBoni, Fernanda Isadora [UNESP]-
Autor(es): dc.creatorCury, Beatriz Stringhetti Ferreira [UNESP]-
Autor(es): dc.creatorFerreira, Natália Noronha [UNESP]-
Autor(es): dc.creatorTeixeira, Deiver Alessandro-
Autor(es): dc.creatorGremião, Maria Palmira Daflon [UNESP]-
Data de aceite: dc.date.accessioned2022-02-22T00:52:44Z-
Data de disponibilização: dc.date.available2022-02-22T00:52:44Z-
Data de envio: dc.date.issued2021-06-25-
Data de envio: dc.date.issued2021-06-25-
Data de envio: dc.date.issued2021-02-14-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1016/j.carbpol.2020.117444-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/208215-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/208215-
Descrição: dc.descriptionNanostructured polyelectrolyte complexes (nano PECs) based on biopolymers are an important technological strategy to target drugs to the action and/or absorption site in a more effective way. In this work, computational studies were performed to predict the ionization, spatial arrangement and interaction energies of chitosan (CS), hyaluronic acid (HA), and hypromellose phthalate (HP), for the design of nano PEC carriers for methotrexate (MTX). The optimal pH range (5.0–5.5) for preparing nano PECs was selected by experimental and computational methodologies, favoring the polymers interactions. CS, HA, HP and MTX addition order was also rationalized, maximizing their interactions and MTX entrapment. Spherical nano-sized particles (256–575 nm, by dynamic light scattering measurement) with positive surface charge (+25.5 to +29.2 mV) were successfully prepared. The MTX association efficiency ranged from 20 to 32 %. XRD analyses evidenced the formation of a new material with an organized structure, in relation to raw polymers.-
Descrição: dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)-
Descrição: dc.descriptionSchool of Pharmaceutical Sciences São Paulo State University (UNESP), Araraquara, Road Araraquara–Jaú, Km 01-
Descrição: dc.descriptionFederal Institute of Mato Grosso (IFMT), Cuiabá Campus, Bela Vista, Juliano Costa Marques Avenue-
Descrição: dc.descriptionSchool of Pharmaceutical Sciences São Paulo State University (UNESP), Araraquara, Road Araraquara–Jaú, Km 01-
Descrição: dc.descriptionFAPESP: 17/16324-0-
Descrição: dc.descriptionFAPESP: 17/26349-0-
Idioma: dc.languageen-
Relação: dc.relationCarbohydrate Polymers-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subjectHyaluronic acid-
Palavras-chave: dc.subjectHypromellose phthalate-
Palavras-chave: dc.subjectMethotrexate-
Palavras-chave: dc.subjectNanometric polyelectrolyte complex-
Palavras-chave: dc.subjectQuantum chemical calculations-
Palavras-chave: dc.subjectSemi-empirical parametric method level-
Título: dc.titleComputational and experimental approaches for chitosan-based nano PECs design: Insights on a deeper comprehension of nanostructure formation-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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