najoNanosystems: Physics, Chemistry, MathematicsНаносистемы: физика, химия, математика2220-80542305-7971Университет ИТМО10.17586/2220-8054-2021-12-6-664-671najo-540Research ArticleMATHEMATICSМАТЕМАТИКАDomination topological properties of polyhydroxybutyrate and polycaprolactone with QSPR analysisДоминирование топологических свойств полигидроксибутирата и поликапролактона с помощью QSPR-анализаАхмедХананAhmedHanan

Кафедра математики, Колледж Ювараджас

Майсур

Mysore.

hananahmed1a@gmail.comАльвардиАнварAlwardiAnwar

Кафедра математики

Aden.

a_wardi@hotmail.comВаззанСуха А.WazzanSuha A.

Кафедра математики, факультет естественных наук

Джидда

Jeddah.

swazzan@kau.edu.saМайсурский университетDepartment of Mathematics, Yuvarajas College, University of MysoreАденский университетDepartment of Mathematics, University of AdenУниверситет короля Абдель АзизаDepartment of Mathematics, Science Faculty, King Abdulaziz University202107082025126664671Copyright © Ahmed H., Alwardi A., Wazzan S.A., 20252025Ахмед Х., Альварди А., Ваззан С.А.Ahmed H., Alwardi A., Wazzan S.A.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://nanojournal.ifmo.ru/jour/article/view/540

Polyhydroxyalkanoates (PHAs) are biopolymers, which are stored inside cells as energy storage materials by various microorganisms. PHAs are plastic materials that have a positive environmental impact when compared to regular plastics in terms of production methods and recyclabillity. In addition, PHAs are characterized by biocompatibility, biodegradability and thus have a wide range of applications such as biomedicine, surgery, etc. The most common PHAs are Polyhydroxybutyrate, Polyhydroxyvalerate, and copolymer. In this paper, we calculate the domination topological indices of these polymers; also, we discuss the quantitative structure property relationships (QSPR) analysis of these domination topological indices.

Further, we show that the characteristics have a good correlation with the physico-chemical characteristics of polymers

Полигидроксиалканоаты (ПГА) представляют собой биополимеры, которые хранятся внутри клеток в качестве материалов для хранения энергии различными микроорганизмами. PHA — это пластиковые материалы, которые оказывают положительное воздействие на окружающую среду по сравнению с обычными пластиками с точки зрения методов производства и возможности вторичной переработки. Кроме того, ПГА характеризуются биосовместимостью, биоразлагаемостью и, таким образом, имеют широкий спектр применения, например, в биомедицине, хирургии и т. д. Наиболее распространенными ПГА являются полигидроксибутират, полигидроксивалерат и сополимер. В данной работе мы вычисляем топологические индексы доминирования этих полимеров; Кроме того, мы обсуждаем анализ количественных отношений структуры и свойств (QSPR) этих топологических индексов доминирования. Далее показано, что характеристики имеют хорошую корреляцию с физико-химическими характеристиками полимеров.

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