Квантове, молекулярне і континуальне моделювання в нелінійній механіці вірусів
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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Вісник Харківського національного університету імені В. Н. Каразіна, серія Медицина має такі умови авторського права:
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