零级动力学可逆结合过程的精确解

IF 1.7 4区 化学 Q4 CHEMISTRY, PHYSICAL
Alejandro Pérez Paz
{"title":"零级动力学可逆结合过程的精确解","authors":"Alejandro Pérez Paz","doi":"10.1007/s11144-025-02803-5","DOIUrl":null,"url":null,"abstract":"<div><p>An explicit solution is presented for the two-step consecutive kinetics problem consisting of a reversible association process followed by a zeroth-order decay. This problem models the kinetically reversible combination of two molecules to yield a complex dimer which is then processed by an enzyme provided that we are under substrate saturation conditions. The exact solution, which involves a linear combination of Airy functions of the first and second kind and its derivatives, is valid for general initial conditions. This closed-form expression was obtained via a suitable transformation of the original non-linear differential equation and matches the numerical solution of the latter. A full analysis that includes a discussion of the phase portrait, asymptotic behavior and the effect of parameters is presented. Both the homo and cross associations between molecules are considered and the passage to the purely irreversible limit is also investigated. The newly developed equations are applied for the dissociation of tubulin heterodimer under various constant injection rates thereof. Other situations where these novel solutions could be useful are discussed.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 2","pages":"673 - 688"},"PeriodicalIF":1.7000,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Exact solution to the reversible association process followed by zeroth-order kinetics\",\"authors\":\"Alejandro Pérez Paz\",\"doi\":\"10.1007/s11144-025-02803-5\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>An explicit solution is presented for the two-step consecutive kinetics problem consisting of a reversible association process followed by a zeroth-order decay. This problem models the kinetically reversible combination of two molecules to yield a complex dimer which is then processed by an enzyme provided that we are under substrate saturation conditions. The exact solution, which involves a linear combination of Airy functions of the first and second kind and its derivatives, is valid for general initial conditions. This closed-form expression was obtained via a suitable transformation of the original non-linear differential equation and matches the numerical solution of the latter. A full analysis that includes a discussion of the phase portrait, asymptotic behavior and the effect of parameters is presented. Both the homo and cross associations between molecules are considered and the passage to the purely irreversible limit is also investigated. The newly developed equations are applied for the dissociation of tubulin heterodimer under various constant injection rates thereof. Other situations where these novel solutions could be useful are discussed.</p></div>\",\"PeriodicalId\":750,\"journal\":{\"name\":\"Reaction Kinetics, Mechanisms and Catalysis\",\"volume\":\"138 2\",\"pages\":\"673 - 688\"},\"PeriodicalIF\":1.7000,\"publicationDate\":\"2025-02-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Reaction Kinetics, Mechanisms and Catalysis\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s11144-025-02803-5\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Reaction Kinetics, Mechanisms and Catalysis","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s11144-025-02803-5","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

摘要

给出了由可逆关联过程和零阶衰变过程组成的两步连续动力学问题的显式解。这个问题模拟了两个分子的动力学可逆结合,产生一个复杂的二聚体,然后在底物饱和条件下由酶处理。精确解是一类和二类Airy函数及其导数的线性组合,对一般的初始条件是有效的。该封闭表达式通过对原非线性微分方程进行适当的变换得到,并与原非线性微分方程的数值解相匹配。给出了一个完整的分析,包括相位肖像,渐近行为和参数的影响的讨论。考虑了分子之间的同属和交叉结合,并研究了通往纯不可逆极限的通道。将新建立的方程应用于微管蛋白异二聚体在不同恒定注射速率下的解离。讨论了这些新颖解决方案可能有用的其他情况。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Exact solution to the reversible association process followed by zeroth-order kinetics

An explicit solution is presented for the two-step consecutive kinetics problem consisting of a reversible association process followed by a zeroth-order decay. This problem models the kinetically reversible combination of two molecules to yield a complex dimer which is then processed by an enzyme provided that we are under substrate saturation conditions. The exact solution, which involves a linear combination of Airy functions of the first and second kind and its derivatives, is valid for general initial conditions. This closed-form expression was obtained via a suitable transformation of the original non-linear differential equation and matches the numerical solution of the latter. A full analysis that includes a discussion of the phase portrait, asymptotic behavior and the effect of parameters is presented. Both the homo and cross associations between molecules are considered and the passage to the purely irreversible limit is also investigated. The newly developed equations are applied for the dissociation of tubulin heterodimer under various constant injection rates thereof. Other situations where these novel solutions could be useful are discussed.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
CiteScore
3.30
自引率
5.60%
发文量
201
审稿时长
2.8 months
期刊介绍: Reaction Kinetics, Mechanisms and Catalysis is a medium for original contributions in the following fields: -kinetics of homogeneous reactions in gas, liquid and solid phase; -Homogeneous catalysis; -Heterogeneous catalysis; -Adsorption in heterogeneous catalysis; -Transport processes related to reaction kinetics and catalysis; -Preparation and study of catalysts; -Reactors and apparatus. Reaction Kinetics, Mechanisms and Catalysis was formerly published under the title Reaction Kinetics and Catalysis Letters.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信