Theory for nanoscale curvature induced enhanced inactivation kinetics of SARS-CoV-2

التفاصيل البيبلوغرافية
العنوان: Theory for nanoscale curvature induced enhanced inactivation kinetics of SARS-CoV-2
المؤلفون: Rama Kant, Gaurav Kumar Mishra, null Neha
المصدر: Nanoscale. 14(14)
سنة النشر: 2022
مصطلحات موضوعية: Kinetics, Energy Transfer, Metals, SARS-CoV-2, Spike Glycoprotein, Coronavirus, Temperature, COVID-19, Humans, Metal Nanoparticles, General Materials Science, Copper
الوصف: We develop a novel theory for the nanomorphology dependent outer sphere heterogeneous electron transfer (ET) rate constant () based on an energy level alignment approach. is modelled through the activation free energy, which is a product of the water monolayer covered metal work function (WF) and the fractional electronic charge exchanged at the transition state (attained through the alignment of the metal Fermi and HOMO/LUMO energy levels of the electroactive species). The theory shows that is an exponentially increasing and decreasing function of the mean curvature in concave and convex nanomorphologies, respectively, for electroactive species or proteins involving their HOMO energy. For the specific spike protein of SARS-CoV-2, we have estimated the half lifetime (
تدمد: 2040-3372
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6ba3d2b86462409b6d1a251b58030107
https://pubmed.ncbi.nlm.nih.gov/35348150
حقوق: CLOSED
رقم الأكسشن: edsair.doi.dedup.....6ba3d2b86462409b6d1a251b58030107
قاعدة البيانات: OpenAIRE