Please use this identifier to cite or link to this item: http://earsiv.odu.edu.tr:8080/xmlui/handle/11489/3332
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dc.contributor.authorGulcu, Ozgehan Cansu-
dc.contributor.authorUstun, Elvan-
dc.date.accessioned2023-01-06T08:41:40Z-
dc.date.available2023-01-06T08:41:40Z-
dc.date.issued2021-
dc.identifier.citationGulcu, OC., Ustun, E. (2021). A simple theoretical approach o converging of Myoglobin-Assay with different pH values. Acta Chimica Slovaca, 14(1), 97-104. Doi:10.2478/acs-2021-0012en_US
dc.identifier.isbn1337-978X-
dc.identifier.urihttp://dx.doi.org/10.2478/acs-2021-0012-
dc.identifier.urihttps://www.webofscience.com/wos/woscc/full-record/WOS:000736082900002-
dc.identifier.urihttp://earsiv.odu.edu.tr:8080/xmlui/handle/11489/3332-
dc.descriptionWoS Categories : Chemistry, Multidisciplinary Web of Science Index : Emerging Sources Citation Index (ESCI) Research Areas : Chemistry Open Access Designations : golden_US
dc.description.abstractMany metal carbonyl complexes have been synthesized and analyzed as CO-releasing agents. As in many bioactivity assays, differences between in-vitro and in-vivo studies in Myoglobin Assay have been observed. Adjustment of in-vitro conditions to in-vivo conditions is one way to overcoming this problem. Changing the conditions of each in-vivo assay is not possible considering the available grant, material, and labor facilities. In-silico methods are suitable as they provide better in-vitro conditions before experimental procedures. A method which is easy to employ on a basic computer could be more suitable to observe the assay convergence. In this study, global reactivity descriptors were used as an approach to investigate pH differences in myoglobin assay. Global reactivity descriptors of the molecules were compared with myoglobin assay results at different pH values and molecular docking results performed with optimized molecules in different solvents. The following complexes were studied: [Mn(CO)(3)(bpy)(L)]PF6 (bpy: 2,2-bipyridyl, L: benzylberrzimidazole, 4-chlorobenzylbenzimidazole).en_US
dc.description.sponsorshipFunding Orgs : Scientific and Technological Research Council of Turkey (TUBITAK) [112T320] Funding Name Preferred : Scientific and Technological Research Council of Turkey (TUBITAK)(Turkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK)) Funding Text : The support of Scientific and Technological Research Council of Turkey (TUBITAK, Project No: 112T320) is gratefully acknowledged.en_US
dc.language.isoengen_US
dc.publisherSCIENDO WARSAWen_US
dc.relation.isversionof10.2478/acs-2021-0012en_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectMONOXIDE-RELEASING MOLECULES; CARBON-MONOXIDE; ELECTRONIC-TRANSITIONS; REACTIVITY DESCRIPTORS; METAL-CARBONYLS; CO; COMPLEXES; RU(CO)(3)CL(GLYCINATE); CORM-A1; DFTen_US
dc.subjectCORMs; DFT/TDDFT; manganese complexes; molecular docking; Myoglobin Assayen_US
dc.titleA simple theoretical approach o converging of Myoglobin-Assay with different pH valuesen_US
dc.typearticleen_US
dc.relation.journalACTA CHIMICA SLOVACAen_US
dc.contributor.departmentOrdu Üniversitesien_US
dc.identifier.volume14en_US
dc.identifier.issue1en_US
dc.identifier.startpage97en_US
dc.identifier.endpage104en_US
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