Degradation reactions of Covid-19 active ingredients by molecular modeling method

Basit Öğe Kaydı
dc.authorscopusid57942343200
dc.authorscopusid54911752000
dc.contributor.authorPandır, Begüm
dc.contributor.authorGürkan, Yelda Yalçın
dc.date.accessioned2023-05-06T17:20:48Z
dc.date.available2023-05-06T17:20:48Z
dc.date.issued2022
dc.departmentFakülteler, Fen Edebiyat Fakültesi, Kimya Bölümü
dc.description.abstractThe coronavirus (Covid) is a large family of viruses known to cause a variety of illnesses, from the common cold to acute respiratory infections. The severity of the infection can be seen as pneumonia, acute respiratory syndrome and even death. This group of viruses was largely ignored until the SARS epidemic. However, since the SARS and MERS outbreaks, these viruses have been studied in more detail to advance vaccine research. On December 31, 2019, mysterious cases of pneumonia were detected in the city of Wuhan in China's Hubei Province. On January 7, 2020, the cause was identified as a novel coronavirus (2019-nCovid), and the disease was later named Covid-19 by WHO. In this study, possible reaction pathways of Afzelin, Delta Viniferin and Hesperidin molecules between OH radical were determined. Optimized geometries were plotted with Gauss View 5. Then, the lowest energy states were found by geometric optimization with the Gaussian 09 program. © 2022 Bulgarian Academy of Sciences, Union of Chemists in Bulgaria.
dc.identifier.doi10.34049/bcc.54.3.F008
dc.identifier.endpage267
dc.identifier.issn0861-9808
dc.identifier.issue3en_US
dc.identifier.scopus2-s2.0-85140586018
dc.identifier.scopusqualityQ4
dc.identifier.startpage263
dc.identifier.urihttps://doi.org/10.34049/bcc.54.3.F008
dc.identifier.urihttps://hdl.handle.net/20.500.11776/11956
dc.identifier.volume54
dc.indekslendigikaynakScopus
dc.institutionauthorPandır, Begüm
dc.institutionauthorGürkan, Yelda Yalçın
dc.language.isoen
dc.publisherBulgarska Akademiya na Naukite
dc.relation.ispartofBulgarian Chemical Communications
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectCovid-19
dc.subjectDFT
dc.subjectGaussian 09W
dc.subjectOH radical
dc.titleDegradation reactions of Covid-19 active ingredients by molecular modeling method
dc.typeArticle

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
Küçük Resim Yok
İsim:
11956.pdf
Boyut:
702.8 KB
Biçim:
Adobe Portable Document Format
Açıklama:
Tam Metin / Full Text
İndir

Koleksiyon

Scopus İndeksli Yayınlar Koleksiyonu
Fen Edebiyat Fakültesi Koleksiyonu