Forced Degradation Studies of Nateglinide by the First-Order Derivative Spectrophotometric Method and the Density Functional Theory of the Nateglinide Molecule

Basit Öğe Kaydı
dc.authorscopusid55235059200
dc.authorscopusid54911752000
dc.contributor.authorKarasakal, Ayça
dc.contributor.authorGürkan, Yelda Yalçın
dc.date.accessioned2022-05-11T14:31:07Z
dc.date.available2022-05-11T14:31:07Z
dc.date.issued2022
dc.departmentFakülteler, Fen Edebiyat Fakültesi, Kimya Bölümü
dc.description.abstractNateglinide (NAT) is an oral antihyperglycemic agent used for the treatment of noninsulin-dependent diabetes mellitus. We evaluated the NAT stability under various forced degradation tests (acidic, basic) and predicted the degradation mechanism of the NAT molecule in the gaseous phase and aqueous media. A first-order derivative spectrophotometric method was used for the identification of NAT and the products of its degradation. NAT appeared to be stable in acidic but not in basic media. A probable reaction path of the NAT molecule with OH radicals was analyzed. The optimized geometry was calculated with Gauss View 5. Subsequently, the lowest energy status was determined through geometric optimization using Gaussian 09 software. Aiming to determine the intermediates in the photocatalytic degradation mechanism, the geometric optimization of the molecule was realized using the density functional theory method. The activation energy for the probable reaction path was calculated, and their most stable state from the thermodynamic perspective was determined for the gaseous phase and aqueous media. The predicted mechanism was confirmed by comparison with the experimental results on simple structures reported in the literature.
dc.description.sponsorshipResearch Fund of the University of Namik Kemal [NKUBAP.00]
dc.description.sponsorshipThis work was supported by the Research Fund of the University of Namik Kemal (Project No. NKUBAP.00.GA.19.217).
dc.identifier.doi10.1007/s10812-022-01297-6
dc.identifier.endpage1188
dc.identifier.issn0021-9037
dc.identifier.issn1573-8647
dc.identifier.issue6en_US
dc.identifier.scopus2-s2.0-85123020645
dc.identifier.scopusqualityQ4
dc.identifier.startpage1183
dc.identifier.urihttps://doi.org/10.1007/s10812-022-01297-6
dc.identifier.urihttps://hdl.handle.net/20.500.11776/7323
dc.identifier.volume88
dc.identifier.wosWOS:000742605500017
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthorKarasakal, Ayça
dc.institutionauthorGürkan, Yelda Yalçın
dc.language.isoen
dc.publisherSpringer
dc.relation.ispartofJournal of Applied Spectroscopy
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectnateglinide
dc.subjectforced degradation study
dc.subjectdensity functional theory
dc.subjectfirst-order derivative spectrophotometric method
dc.titleForced Degradation Studies of Nateglinide by the First-Order Derivative Spectrophotometric Method and the Density Functional Theory of the Nateglinide Molecule
dc.typeArticle

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
Küçük Resim Yok
İsim:
7323.pdf
Boyut:
684.17 KB
Biçim:
Adobe Portable Document Format
Açıklama:
Tam Metin / Full Text
İndir

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
Fen Edebiyat Fakültesi Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu