Covid-19'un etken maddelerinin moleküler modelleme yöntemiyle parçalanma reaksiyonları
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Dosyalar
Tarih
2022
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Yayıncı
Tekirdağ Namık Kemal Üniversitesi
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
Koronavirüs (Covid), soğuk algınlığından akut solunum yolu enfeksiyonuna kadar çeşitli hastalıklara neden olduğu bilinen geniş bir virüs ailesidir. Enfeksiyonun ciddiyeti zatürre, akut solunum sendromu ve hatta ölüm olarak görülebilir. Bu virüs grubu, SARS salgınına kadar büyük ölçüde göz ardı edildi. Bununla birlikte, SARS ve MERS salgınlarından bu yana, bu virüsler, aşı araştırmalarını ilerletmek için daha ayrıntılı olarak incelenmiştir. 31 Aralık 2019'da, Çin'in Hubei Eyaletindeki Wuhan şehrinde gizemli zatürre vakaları tespit edildi. 7 Ocak 2020'de, neden olan yeni bir koronavirüs (2019-nCovid) olarak tanımlandı ve hastalık daha sonra DSÖ tarafından Covid-19 olarak adlandırıldı. Bu çalışmada, Afzelin, Delta Viniferin ve Hesperidin moleküllerinin OH radikali arasındaki meydana getireceği olası reaksiyon yolları belirlenmiştir. Optimize geometrileri Gauss View 5 ile çizilmiştir. Daha sonra, Gaussian 09 programı ile geometrik optimizasyon yapılarak en düşük enerjili halleri bulunmuştur. Bu sonuçlar deneysel çalışmalara yol gösterecek olup parçalanma mekanizmasını belirlemektedir.
The 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. These results will guide experimental studies and determine the fragmentation mechanism.
The 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. These results will guide experimental studies and determine the fragmentation mechanism.
Açıklama
Anahtar Kelimeler
Kimya, Chemistry
