Immobilization of pectinase on chitosan-alginate-clay composite beads: Experimental, DFT and molecular docking studies

dc.authoridhttps://orcid.org/0000-0001-5705-6839tr
dc.contributor.authorAksu, Aysun; Çetinkaya, Serap; Yenidünya, Ali Fazıl; Çetinus, Şenay Akkuş; Gezegen, Hayreddin; Tüzün, Burak
dc.date.accessioned2024-03-06T09:40:33Z
dc.date.available2024-03-06T09:40:33Z
dc.date.issued2023tr
dc.departmentFen Fakültesitr
dc.description.abstractPectinase was immobilized on chitosan-alginate-clay (CAC) beads using epichlorohydrin (ECH) as the crosslinker. Prepared beads and immobilization product were analyzed by Fourier Transform Infrared Spectrophotometry (FTIR) and Scanning Electron Microscopy (SEM). Experimental data covered some hydrolytic properties of the immobilized enzyme, such as pH, temperature, reusability, concentration, and storage time. The immobilization procedure increased the optimal temperature to 60 ◦C and maximum activity was obtained at pH (6.0). After 5 cycles of reuse, approximately 45% of the initial activity of the immobilized enzyme remained. Free pectinase, CAC, and immobilization product were also investigated by Gaussian calculations, the HF/6-31g basis set. Furthermore, Aspergillus niger proteins (PDB ID: 3K4P and 7BLY) and Staphylococcus aureus (PDB ID: 1JIJ) were examined for molecular docking calculations, and ADME/T calculations were made to examine the effects and reactions of these molecules in human metabolism.tr
dc.identifier.doi10.1016/j.molliq.2023.122947en_US
dc.identifier.endpage12tr
dc.identifier.scopus2-s2.0-85169978708en_US
dc.identifier.scopusqualityN/A
dc.identifier.startpage1tr
dc.identifier.urihttps://hdl.handle.net/20.500.12418/14743
dc.identifier.volume390tr
dc.identifier.wosWOS:001074607400001en_US
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElseviertr
dc.relation.ispartofJOURNAL OF MOLECULAR LIQUIDSen_US
dc.relation.publicationcategoryUluslararası Hakemli Dergide Makale - Kurum Öğretim Elemanıtr
dc.rightsinfo:eu-repo/semantics/openAccesstr
dc.subjectAlginate, Chitosan, DFT, Immobilization, Molecular docking, Pectinasetr
dc.titleImmobilization of pectinase on chitosan-alginate-clay composite beads: Experimental, DFT and molecular docking studiesen_US
dc.typeArticleen_US

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