Optimized PVP/CTAB-NiZnS nanostructures served as an efficient dye degrader and antibacterial agent with computational validation

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MetadadosDescriçãoIdioma
Autor(es): dc.contributorFaisalabad-
Autor(es): dc.contributorUniversity of Agriculture-
Autor(es): dc.contributorLahore Campus-
Autor(es): dc.contributorGovernment College University Lahore-
Autor(es): dc.contributorKing Fahd University of Petroleum & Minerals-
Autor(es): dc.contributorUniversidade Estadual Paulista (UNESP)-
Autor(es): dc.contributorKing Khalid University-
Autor(es): dc.creatorAftab Ali Saeed, Muhammad-
Autor(es): dc.creatorImran, Muhammad-
Autor(es): dc.creatorHaider, Ali-
Autor(es): dc.creatorShahzadi, Anum-
Autor(es): dc.creatorMoeen, Sawaira-
Autor(es): dc.creatorUl-Hamid, Anwar-
Autor(es): dc.creatorUllah, Hameed-
Autor(es): dc.creatorAbd-Rabboh, Hisham S.M.-
Autor(es): dc.creatorIkram, Muhammad-
Data de aceite: dc.date.accessioned2025-08-21T18:35:59Z-
Data de disponibilização: dc.date.available2025-08-21T18:35:59Z-
Data de envio: dc.date.issued2025-04-29-
Data de envio: dc.date.issued2025-08-05-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1016/j.molstruc.2025.142119-
Fonte completa do material: dc.identifierhttps://hdl.handle.net/11449/299343-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/299343-
Descrição: dc.descriptionA co-precipitation strategy was employed to synthesize PVP/CTAB-NiZnS NSs (polyvinylpyrrolidone/cetyltrimethylammonium bromide-nickel zinc sulfide nanostructures) with fixed (4 wt. %) CTAB and varying weight ratios (2 ad 6 wt. %) of PVP. This research aimed to enhance the Rhodamine B reduction and bactericidal activity towards S. aureus using the synthesized NSs, with theoretical validation through molecular docking. CTAB and PVP provide surface modification, structural stability, electron transfer properties, good physiological compatibility, and electron transfer efficacy that increase the dye reduction and bactericidal activity of NiZnS. Comprehensive characterizations were employed to examine the structural, optical properties, vibrational modes, chemical composition, and morphological features of PVP/CTAB-NiZnS. The bandgap energy (Eg) of NiZnS was increased from 3.17 to 3.22 eV with CTAB and PVP addition. The formation of nanowires (NWs) with a few rods of NiZnS was confirmed through TEM analysis. The study findings indicate that the optimized sample (6 % PVP/CTAB-NiZnS) outperformed all other prepared samples, achieving a maximum dye reduction of 76.36 % in a neutral medium within 10 min. Additionally, this highly doped sample displayed bactericidal activity, evidenced by a maximum inhibition zone of 6.05 mm against Staphylococcus aureus. A molecular docking study was conducted to provide theoretical support for the bactericidal activities of PVP/CTAB-doped NiZnS nanostructures against DNA gyrase in S. aureus. The docking studies indicate that these NSs may function as inhibitors of DNA gyrase.-
Descrição: dc.descriptionDepartment of Chemistry Government College University Faisalabad, Pakpattan Road, Punjab-
Descrição: dc.descriptionDepartment of Clinical Sciences Faculty of Veterinary and Animal Sciences Muhammad Nawaz Shareef University of Agriculture, Punjab-
Descrição: dc.descriptionDepartment of Pharmacy COMSAT University Islamabad Lahore Campus-
Descrição: dc.descriptionSolar Cell Applications Research Lab Department of Physics Government College University Lahore, Punjab-
Descrição: dc.descriptionCore Research Facilities Research Institute King Fahd University of Petroleum & Minerals-
Descrição: dc.descriptionDepartment of Physics and Meteorology School of Sciences Sao Paulo State University (UNESP) Bauru-
Descrição: dc.descriptionChemistry Department Faculty of Science King Khalid University, PO Box 9004-
Descrição: dc.descriptionDepartment of Physics and Meteorology School of Sciences Sao Paulo State University (UNESP) Bauru-
Idioma: dc.languageen-
Relação: dc.relationJournal of Molecular Structure-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subjectAntimicrobial activity-
Palavras-chave: dc.subjectCatalytic activity-
Palavras-chave: dc.subjectMolecular docking-
Palavras-chave: dc.subjectNanostructures-
Palavras-chave: dc.subjectPVP-CTAB/NiZnS-
Palavras-chave: dc.subjectRhB-
Palavras-chave: dc.subjectS. aureus-
Título: dc.titleOptimized PVP/CTAB-NiZnS nanostructures served as an efficient dye degrader and antibacterial agent with computational validation-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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