Biosorption of rhodamine B and sunset yellow dyes on cross-linked chitosan-alginate biocomposite beads: Experimental and theoretical studies

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dc.contributor.authorSenol, Zeynep Mine
dc.contributor.authorArslanoglu, Hasan
dc.contributor.authorKeskin, Zehra Seba
dc.contributor.authorMehmeti, Valbone
dc.contributor.authorEl Messaoudi, Noureddine
dc.date.accessioned2025-05-04T16:47:12Z
dc.date.available2025-05-04T16:47:12Z
dc.date.issued2025
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractThis research explores the biosorption of Rhodamine B (Rd-B) and Sunset Yellow (SY) dyes using cross-linked chitosan-alginate (Ch-A) biocomposite beads, combining experimental investigations with theoretical studies to elucidate the biosorption mechanisms. The biocomposite beads were synthesized through an eco-friendly cross-linking method, and their structural properties were characterized using various characterization techniques. Complementary theoretical studies using Monte Carlo (MC) simulations and molecular dynamics (MD) calculations provided insights into the molecular interactions between the dyes and the biocomposite beads. ChA maximal biosorption capacity for Rd-B and SY was determined using the Langmuir model to be 43.6 mg g- 1 and 25.1 mg g- 1, respectively. Kinetic analysis elucidated that the biosorption process for Rd-B followed the pseudo first order (PFO) model and SY followed the pseudo second order (PSO) model. According to the thermodynamic characteristics, Rd-B and SY adsorb spontaneously and endothermically on Ch-A. In conjunction, MC and MD calculations were applied to probe the interactions between Rd-B and SY molecules and the Ch-A biocomposite beads, providing compelling evidence of robust binding interactions such as hydrogen bonds, electrostatic attractions, and it-it interactions. These theoretical insights were subsequently aligned with empirical observations, affirming a significant relation between the theoretical and experimental data. This study highlights the significance of combining experimental data with theoretical models to advance the development of environmentally friendly materials for water purification.
dc.description.sponsorshipSivas Cumhuriyet University Projects Commission [SBF-2023-101]
dc.description.sponsorshipThe present study was supported by the Sivas Cumhuriyet University Projects Commission (Project number: SBF-2023-101) .
dc.identifier.doi10.1016/j.ijbiomac.2024.139264
dc.identifier.issn0141-8130
dc.identifier.issn1879-0003
dc.identifier.pmid39824421
dc.identifier.scopus2-s2.0-85215411052
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.ijbiomac.2024.139264
dc.identifier.urihttps://hdl.handle.net/20.500.12418/35527
dc.identifier.volume298
dc.identifier.wosWOS:001405568400001
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofInternational Journal of Biological Macromolecules
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250504
dc.subjectChitosan
dc.subjectAlginate
dc.subjectBiocomposite
dc.subjectRhodamine B
dc.subjectSunset yellow, biosorption, wastewater treatment
dc.titleBiosorption of rhodamine B and sunset yellow dyes on cross-linked chitosan-alginate biocomposite beads: Experimental and theoretical studies
dc.typeArticle

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