ntvНаучно-технический вестник информационных технологий, механики и оптикиScientific and Technical Journal of Information Technologies, Mechanics and Optics2226-14942500-0373Университет ИТМО10.17586/2226-1494-2026-26-3-607-616ntv-628Research ArticleМАТЕМАТИЧЕСКОЕ И КОМПЬЮТЕРНОЕ МОДЕЛИРОВАНИЕMODELING AND SIMULATIONМодель биодеградации полимерных нитей, изготовленных из поли-3-гидроксибутирата (P3HB) и поли-3-гидроксибутирата-со-3-гидроксивалерата (P3HB-со-3HV)A model for biodegradation of polymer fibers made of poly-3-hydroxybutyrate poly(3HB)https://orcid.org/0000-0003-4127-6209ФотинА. Д.FotinA. D.

Фотин Алексей Дмитриевич — аспирант

sc 59207966600

Санкт-Петербург, 197101

Aleksei D. Fotin — PhD Student

sc 59207966600

Saint Petersburg, 197101

pavel.zun@itmo.ruhttps://orcid.org/0000-0001-6176-1143ЗунП. С.ZunP. S.

Зун Павел Сергеевич — PhD, доцент, научный сотрудник

Санкт-Петербург, 197101

Pavel S. Zun — PhD, Associate Professor, Scientific Researcher

Saint Petersburg, 197101

pavel.zun@itmo.ruhttps://orcid.org/0000-0003-0888-1693ШишацкаяЕ. И.ShishatskayaE. I.

Шишацкая Екатерина Игоревна — доктор биологических наук, профессор

 sc 6603600632

Красноярск, 660041

Ekaterina I. Shishatskaya — D.Sc. (Biology), Full Professor

sc 6603600632

Krasnoyarsk, 660041

e.shishatskaya@gmail.comhttps://orcid.org/0000-0003-0888-1693СкорбЕ. В.SkorbE. V.

Скорб Екатерина Владимировна — доктор химических наук, доцент, заведующий лабораторией, профессор, ведущий научный сотрудник, директор, директор мегафакультета

sc 22981610200

Санкт-Петербург, 197101

Ekaterina V. Skorb — D.Sc. (Chemistry), Associate Professor, Head of Laboratory

Saint Petersburg, 197101

skorb@itmo.ruУниверситет ИТМОРоссияITMO UniversityRussian FederationСибирский федеральный университетРоссияSiberian Federal University Polytechnic InstituteRussian Federation202609072026263607616Copyright © Фотин А.Д., Зун П.С., Шишацкая Е.И., Скорб Е.В., 20262026Фотин А.Д., Зун П.С., Шишацкая Е.И., Скорб Е.В.Fotin A.D., Zun P.S., Shishatskaya E.I., Skorb E.V.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://ntv.elpub.ru/jour/article/view/628

Введение. Биодеградация медицинских изделий зависит от множества факторов, начиная от методов синтеза полимеров и заканчивая концентрацией активных ферментов в среде. Математическое моделирование биодеградации полигидроксиалканоатов (ПГА) имеет большое практическое значение, поскольку позволяет анализировать деградацию материала с различными параметрами и рассматривать разные формы изделий без необходимости проведения множества длительных экспериментов. Метод. Рассматривая кинетику и механизмы ферментативной деградации ПГА, можно выделить два основных процесса: адсорбцию и гидролиз. В предлагаемой конечно-элементной модели адсорбция описывается уравнением гомогенной диффузии на поверхности, гидролиз — уравнением реакции, аналогично моделям для полилактидов. Для поиска неизвестных параметров модели решается задача нелинейной оптимизации с помощью Sparse Nonlinear OPTimizer и экспериментальных данных биодеградации полимерных нитей из poly(3HB) и poly(3HB-co 3HV) в трех биологических средах (человеческая кровь, сыворотка крови и in vivo). Основные результаты. По результатам моделирования проведено сравнение численных и экспериментальных результатов, проанализировано влияние параметров модели на профиль биодеградации. Разработанная модель применена для оценки биодеградации полимерных медицинских изделий, таких как сосудистый стент и костный имплантат. Обсуждение. Предложенная конечно-элементная модель позволяет оценить биодеградацию полимерных медицинских изделий из ПГА в различных биологических средах.  Результаты моделирования биодеградации хорошо согласуются с экспериментальными данными. Модель является первым шагом к моделированию биодеградации ПГА и не включает изменение кристалличности, характеристики фермента в процессе деградации, что может стать целью дальнейшей работы.

Biodegradation of medical devices is a complex process that depends on many factors, ranging from the methods of polymer synthesis to the concentration of active enzymes in the medium. Mathematical modeling of the biodegradation of polyhydroxyalkanoates (PHAs) is of great practical importance as it allows the degradation of the material to be analyzed with different parameters and different product forms to be considered without the need for many lengthy experiments. Considering the kinetics and mechanisms of enzymatic degradation of PHA, two main processes can be distinguished: adsorption and hydrolysis. The first step is the adsorption of the enzyme onto the polymer surface, and the second step is the hydrolysis of the polymer chain. In finite element modeling, adsorption can be described by surface homogeneous diffusion and hydrolysis by a reaction equation, similar to models for polylactides. To find the unknown model parameters, a nonlinear optimization problem is solved using Sparse Nonlinear OPTimizer (SNOPT) and experimental data on the biodegradation of poly(3HB) and poly(3HB-co-3HV) polymer fibers in three biological environments (human blood, blood serum, and in vivo). Based on the simulation results, numerical and experimental results were compared, and the influence of model parameters on the biodegradation profile was analyzed. The model was also applied to assess the biodegradation of other polymeric medical devices such as a vascular stent and a bone implant. The proposed finite element model allows for assessing the biodegradation of polymeric medical devices made from PHA in various biological environments. The biodegradation simulation results are in good agreement with experimental data. This model is the first step towards modeling the biodegradation of PHA and does not include the change in crystallinity, the characteristics of the enzyme during degradation, which may be a further aim of the work.

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The authors declare that there are no conflicts of interest present.