Квантове, молекулярне і континуальне моделювання в нелінійній механіці вірусів

  • Alexander Zolochevsky зав. лабораторії, НВО «Політех» https://orcid.org/0000-0001-6632-4292
  • Sophia Parkhomenko НВО «Політех»
  • Alexander Martynenko Харківський національний університет імені В. Н. Каразіна https://orcid.org/0000-0002-0609-2220
Ключові слова: вірус, механіка, атомно-силова мікроскопія, напруга, деформація, пошкодження, загоєння, моделювання, симуляція

Анотація

Вступ. Віруси – це велика група патогенів, які, як було встановлено, заражають тварин, рослини, бактерії та навіть інші віруси. Новий коронавірус 2019 року SARS-CoV-2 залишається постійною загрозою для населення. Віруси – біологічні об'єкти з нанометричними розмірами, зазвичай від кількох десятків до кількох сотень нанометрів. Вони розглядаються як біомолекулярні структури, що складаються з генетичного матеріалу (РНК або ДНК), білкової оболонки (капсида) із захисною функцією, а іноді і додаткової оболонки поверх капсида. Мета. Мета даного огляду – допомогти спрогнозувати реакцію і навіть деструкцію вірусів з урахуванням впливу різних факторів навколишнього середовища, таких як механічні навантаження, температурні зміни, електромагнітне поле, хімічні зміни та зв’язування з рецептором мембрани клітини-господаря. Ці фактори навколишнього середовища значно впливають на вірус.

Матеріали та методи. Дослідження вірусів і вірусоподібних структур проаналізовано з використанням моделей і методів нелінійної механіки. У зв'язку з цим розглянуті квантові, молекулярні і континуальні описи в механіці вірусів. Застосування методів маніпулювання окремими молекулами, таких як атомно-силова мікроскопія, оптичний пінцет і магнітний пінцет, обговорюється для визначення механічних властивостей вірусів. Особливу увагу приділено континуальній механіці пошкоджень–загоєння пошкоджень вірусів, білків і вірусоподібних структур. Також представлено конститутивне моделювання вірусів при великих деформаціях. Враховувалися нелінійна пружність, пластична деформація, повзучість, викликане навколишнім середовищем набухання (або усадка) і п’єзоелектричний відгук вірусів. Обговорюється інтеграція конститутивної моделі в ABAQUS, ANSYS і програмне забезпечення власної розробки. Результати і висновки. Зв’язок між структурою вірусу, навколишнім середовищем, інфекційністю і механікою вірусу може бути корисний для прогнозування відгуку і деструктуризації вірусів з урахуванням впливу різних чинників навколишнього середовища. Обчислювальний аналіз з використанням такого зв'язку може бути корисний для чіткого розуміння того, як нейтралізуючі антитіла і Т-клітини взаємодіють з новим коронавірусів 2019 року SARS-CoV-2.

Завантаження

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Біографії авторів

Alexander Zolochevsky, зав. лабораторії, НВО «Політех»

вул. O. Яроша, 14, Харків, Україна, 61145

Sophia Parkhomenko, НВО «Політех»

вул. O. Яроша, 14, Харків, Україна, 61145

Alexander Martynenko, Харківський національний університет імені В. Н. Каразіна

майдан Свободи, 6, Харків, Україна, 61022

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Опубліковано
2022-04-13
Як цитувати
Zolochevsky, A., Parkhomenko, S., & Martynenko, A. (2022). Квантове, молекулярне і континуальне моделювання в нелінійній механіці вірусів. Вісник Харківського національного університету імені В. Н. Каразіна. Серія «Медицина», (44). https://doi.org/10.26565/2313-6693-2022-44-01