Stability and computational results for chemical kinetics reactions in enzyme

IF 1.7 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Journal of Mathematical Chemistry Pub Date : 2024-07-17 DOI:10.1007/s10910-024-01660-2
M. Sivashankar, S. Sabarinathan, Hasib Khan, Jehad Alzabut, J. F. Gómez-Aguilar
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Abstract

Kinetic chemical reactions find applications across various fields. In industrial processes, they drive the production of essential materials like fertilizers and pharmaceuticals. In environmental science, they are crucial to understanding pollution dynamics. Additionally, in biochemistry, they underpin vital cellular processes, offering insights into disease mechanisms and drug development. In this work, we present a new advancement of a dynamical system for kinetically controlled chemical reactions and the dependency of its solution on the initial conditions using mathematical techniques for fractional orders. By utilizing this fixed-point approach, we can derive the existence and uniqueness theorem of the proposed model. We further show that the chemical kinetics of the fractional model are stable through the Hyers-Ulam stability condition. We finally run a numerical simulation to verify our conclusions. The manuscript concludes with demonstrative examples.

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酶中化学动力学反应的稳定性和计算结果
动力学化学反应应用于各个领域。在工业过程中,它们驱动着肥料和药品等基本材料的生产。在环境科学中,它们对了解污染动态至关重要。此外,在生物化学中,它们支撑着重要的细胞过程,为疾病机理和药物开发提供见解。在这项工作中,我们利用分数阶数学技术,对动力学控制的化学反应动力学系统及其解与初始条件的关系进行了新的研究。利用这种定点方法,我们可以推导出所提模型的存在性和唯一性定理。我们进一步证明,通过 Hyers-Ulam 稳定条件,分数模型的化学动力学是稳定的。最后,我们通过数值模拟来验证我们的结论。手稿最后还列举了一些示例。
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来源期刊
Journal of Mathematical Chemistry
Journal of Mathematical Chemistry 化学-化学综合
CiteScore
3.70
自引率
17.60%
发文量
105
审稿时长
6 months
期刊介绍: The Journal of Mathematical Chemistry (JOMC) publishes original, chemically important mathematical results which use non-routine mathematical methodologies often unfamiliar to the usual audience of mainstream experimental and theoretical chemistry journals. Furthermore JOMC publishes papers on novel applications of more familiar mathematical techniques and analyses of chemical problems which indicate the need for new mathematical approaches. Mathematical chemistry is a truly interdisciplinary subject, a field of rapidly growing importance. As chemistry becomes more and more amenable to mathematically rigorous study, it is likely that chemistry will also become an alert and demanding consumer of new mathematical results. The level of complexity of chemical problems is often very high, and modeling molecular behaviour and chemical reactions does require new mathematical approaches. Chemistry is witnessing an important shift in emphasis: simplistic models are no longer satisfactory, and more detailed mathematical understanding of complex chemical properties and phenomena are required. From theoretical chemistry and quantum chemistry to applied fields such as molecular modeling, drug design, molecular engineering, and the development of supramolecular structures, mathematical chemistry is an important discipline providing both explanations and predictions. JOMC has an important role in advancing chemistry to an era of detailed understanding of molecules and reactions.
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