DFT, molecular docking, antimicrobial activity, dye degradation, and oxygen evolution reaction of functionalized chitosan integrated eudragit-stannous selenide nanostructures

Bibliographic Details
Main Author: Fatima, Areej
Publication Date: 2025
Other Authors: Naz, Misbah, Haider, Ali, Shahzadi, Iram, Ul-Hamid, Anwar, Ullah, Hameed [UNESP], Ali, Ghafar, Moeen, Sawaira, El-Bahy, Salah M., Ikram, Muhammad
Format: Article
Language: eng
Source: Repositório Institucional da UNESP
Download full: http://dx.doi.org/10.1016/j.surfin.2025.105907
https://hdl.handle.net/11449/297790
Summary: A chemical coprecipitation route was employed to synthesize stannous selenide (SnSe) nanostructures (NSs) integrated with a fixed amount of eudragit L100 (Eud) and different concentrations of chitosan (CS). This study aimed to examine rhodamine B (RhB) reduction catalytically, oxygen evolution reaction (OER), and antimicrobial properties of CS/Eud-SnSe. Several characterization techniques were employed for morphological, structural, and optical analysis of prepared NSs. The optimized sample (4 % CS/Eud-SnSe) revealed considerable RhB reduction efficacy in an acidic medium as well as effective antibacterial activity against S. aureus. Molecular docking substantiated the suppressive role of CS/Eud-SnSe against DNA gyraseS. aureus, elaborating on their bactericidal effect. Moreover, 4 % CS/Eud-SnSe proved an efficient material for OER activity, depicting the lowest overpotential, Tafel slope, and Rct value.
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spelling DFT, molecular docking, antimicrobial activity, dye degradation, and oxygen evolution reaction of functionalized chitosan integrated eudragit-stannous selenide nanostructuresAntimicrobialCatalyticMolecular dockingA chemical coprecipitation route was employed to synthesize stannous selenide (SnSe) nanostructures (NSs) integrated with a fixed amount of eudragit L100 (Eud) and different concentrations of chitosan (CS). This study aimed to examine rhodamine B (RhB) reduction catalytically, oxygen evolution reaction (OER), and antimicrobial properties of CS/Eud-SnSe. Several characterization techniques were employed for morphological, structural, and optical analysis of prepared NSs. The optimized sample (4 % CS/Eud-SnSe) revealed considerable RhB reduction efficacy in an acidic medium as well as effective antibacterial activity against S. aureus. Molecular docking substantiated the suppressive role of CS/Eud-SnSe against DNA gyraseS. aureus, elaborating on their bactericidal effect. Moreover, 4 % CS/Eud-SnSe proved an efficient material for OER activity, depicting the lowest overpotential, Tafel slope, and Rct value.HEC MontréalTaif UniversityDepartment of Chemistry Division of Science and Technology University of Education, PunjabDepartment of Clinical Sciences Faculty of Veterinary and Animal Sciences Muhammad Nawaz Shareef University of Agriculture, PunjabSchool of Pharmacy University of Management and TechnologyCore Research Facilities King Fahd University of Petroleum & MineralsDepartment of Physics and Meteorology School of Sciences Sao Paulo State University (UNESP), Sao PauloNanomaterials Research Group (NRG) Physics Division PINSTECHSolar Cell Applications Research Lab Department of Physics Government College University Lahore, PunjabDepartment of Chemistry Turabah University College Taif University, P.O. Box 11099Department of Physics and Meteorology School of Sciences Sao Paulo State University (UNESP), Sao PauloHEC Montréal: NRPU 20-17615Taif University: TU-DSPP-2024-20University of EducationUniversity of AgricultureUniversity of Management and TechnologyKing Fahd University of Petroleum & MineralsUniversidade Estadual Paulista (UNESP)PINSTECHGovernment College University LahoreTaif UniversityFatima, AreejNaz, MisbahHaider, AliShahzadi, IramUl-Hamid, AnwarUllah, Hameed [UNESP]Ali, GhafarMoeen, SawairaEl-Bahy, Salah M.Ikram, Muhammad2025-04-29T18:07:44Z2025-02-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://dx.doi.org/10.1016/j.surfin.2025.105907Surfaces and Interfaces, v. 58.2468-0230https://hdl.handle.net/11449/29779010.1016/j.surfin.2025.1059072-s2.0-85216070480Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengSurfaces and Interfacesinfo:eu-repo/semantics/openAccess2025-04-30T13:53:22Zoai:repositorio.unesp.br:11449/297790Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestrepositoriounesp@unesp.bropendoar:29462025-04-30T13:53:22Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false
dc.title.none.fl_str_mv DFT, molecular docking, antimicrobial activity, dye degradation, and oxygen evolution reaction of functionalized chitosan integrated eudragit-stannous selenide nanostructures
title DFT, molecular docking, antimicrobial activity, dye degradation, and oxygen evolution reaction of functionalized chitosan integrated eudragit-stannous selenide nanostructures
spellingShingle DFT, molecular docking, antimicrobial activity, dye degradation, and oxygen evolution reaction of functionalized chitosan integrated eudragit-stannous selenide nanostructures
Fatima, Areej
Antimicrobial
Catalytic
Molecular docking
title_short DFT, molecular docking, antimicrobial activity, dye degradation, and oxygen evolution reaction of functionalized chitosan integrated eudragit-stannous selenide nanostructures
title_full DFT, molecular docking, antimicrobial activity, dye degradation, and oxygen evolution reaction of functionalized chitosan integrated eudragit-stannous selenide nanostructures
title_fullStr DFT, molecular docking, antimicrobial activity, dye degradation, and oxygen evolution reaction of functionalized chitosan integrated eudragit-stannous selenide nanostructures
title_full_unstemmed DFT, molecular docking, antimicrobial activity, dye degradation, and oxygen evolution reaction of functionalized chitosan integrated eudragit-stannous selenide nanostructures
title_sort DFT, molecular docking, antimicrobial activity, dye degradation, and oxygen evolution reaction of functionalized chitosan integrated eudragit-stannous selenide nanostructures
author Fatima, Areej
author_facet Fatima, Areej
Naz, Misbah
Haider, Ali
Shahzadi, Iram
Ul-Hamid, Anwar
Ullah, Hameed [UNESP]
Ali, Ghafar
Moeen, Sawaira
El-Bahy, Salah M.
Ikram, Muhammad
author_role author
author2 Naz, Misbah
Haider, Ali
Shahzadi, Iram
Ul-Hamid, Anwar
Ullah, Hameed [UNESP]
Ali, Ghafar
Moeen, Sawaira
El-Bahy, Salah M.
Ikram, Muhammad
author2_role author
author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv University of Education
University of Agriculture
University of Management and Technology
King Fahd University of Petroleum & Minerals
Universidade Estadual Paulista (UNESP)
PINSTECH
Government College University Lahore
Taif University
dc.contributor.author.fl_str_mv Fatima, Areej
Naz, Misbah
Haider, Ali
Shahzadi, Iram
Ul-Hamid, Anwar
Ullah, Hameed [UNESP]
Ali, Ghafar
Moeen, Sawaira
El-Bahy, Salah M.
Ikram, Muhammad
dc.subject.por.fl_str_mv Antimicrobial
Catalytic
Molecular docking
topic Antimicrobial
Catalytic
Molecular docking
description A chemical coprecipitation route was employed to synthesize stannous selenide (SnSe) nanostructures (NSs) integrated with a fixed amount of eudragit L100 (Eud) and different concentrations of chitosan (CS). This study aimed to examine rhodamine B (RhB) reduction catalytically, oxygen evolution reaction (OER), and antimicrobial properties of CS/Eud-SnSe. Several characterization techniques were employed for morphological, structural, and optical analysis of prepared NSs. The optimized sample (4 % CS/Eud-SnSe) revealed considerable RhB reduction efficacy in an acidic medium as well as effective antibacterial activity against S. aureus. Molecular docking substantiated the suppressive role of CS/Eud-SnSe against DNA gyraseS. aureus, elaborating on their bactericidal effect. Moreover, 4 % CS/Eud-SnSe proved an efficient material for OER activity, depicting the lowest overpotential, Tafel slope, and Rct value.
publishDate 2025
dc.date.none.fl_str_mv 2025-04-29T18:07:44Z
2025-02-01
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://dx.doi.org/10.1016/j.surfin.2025.105907
Surfaces and Interfaces, v. 58.
2468-0230
https://hdl.handle.net/11449/297790
10.1016/j.surfin.2025.105907
2-s2.0-85216070480
url http://dx.doi.org/10.1016/j.surfin.2025.105907
https://hdl.handle.net/11449/297790
identifier_str_mv Surfaces and Interfaces, v. 58.
2468-0230
10.1016/j.surfin.2025.105907
2-s2.0-85216070480
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Surfaces and Interfaces
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.source.none.fl_str_mv Scopus
reponame:Repositório Institucional da UNESP
instname:Universidade Estadual Paulista (UNESP)
instacron:UNESP
instname_str Universidade Estadual Paulista (UNESP)
instacron_str UNESP
institution UNESP
reponame_str Repositório Institucional da UNESP
collection Repositório Institucional da UNESP
repository.name.fl_str_mv Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)
repository.mail.fl_str_mv repositoriounesp@unesp.br
_version_ 1834482853058969600

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