{"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}
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.
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.