{"title":"Graph Energy Variants and Topological Indices in Platinum Anticancer Drug Design: Mathematical Insights and Computational Analysis with DFT and QTAIM","authors":"S. Wazzan, Nurten Urlu Ozalan","doi":"10.1155/2023/5931820","DOIUrl":"https://doi.org/10.1155/2023/5931820","url":null,"abstract":"In this paper, we present a new approach that explores the application of graph energy variants in chemistry, specifically in the development of platinum anticancer drugs. While previous energy variants have been proposed without considering their direct relevance to chemistry, our study focuses on two key aspects. First, we investigate the correlation between seven degree-based and four distance-based topological indices and their corresponding energies in platinum anticancer drugs. Furthermore, we mathematically analyze the properties of these energies, establishing upper and lower bounds that can be generalized to other structures. Second, we examine the possibility of utilizing the energies of these topological indices as structural descriptors. Our research showcases promising results, suggesting potential improvements in the future manufacturing of anticancer drugs. In addition, we employ density functional theory \u0000 \u0000 \u0000 \u0000 D\u0000 F\u0000 T\u0000 \u0000 \u0000 \u0000 calculations to optimize the molecular structures of platinum anticancer drugs and identify local reactive sites using Fukui functions. Quantum theory of atoms in molecules \u0000 \u0000 \u0000 \u0000 Q\u0000 T\u0000 A\u0000 I\u0000 M\u0000 \u0000 \u0000 \u0000 was carried out at the bond critical point \u0000 \u0000 \u0000 \u0000 B\u0000 C\u0000 P\u0000 \u0000 \u0000 \u0000 , to reveal the nature of the intermolecular interactions in the investigated ten Pt anticancer drugs, especially, the nature of bonds between Pt atoms and their bond atoms. Overall, this study presents an innovative approach that bridges graph energies, topological indices, and DFT with the properties (physical and chemical) of platinum anticancer drugs, offering insights into their molecular properties and potential for enhanced drug design.","PeriodicalId":43667,"journal":{"name":"Muenster Journal of Mathematics","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82888994","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A New Sequence Which Converges Faster towards the Euler–Mascheroni Constant","authors":"Jenica Cringanu","doi":"10.1155/2023/7408231","DOIUrl":"https://doi.org/10.1155/2023/7408231","url":null,"abstract":"The aim of this paper is to propose a new sequence that approximates the Euler–Mascheroni constant which converges faster towards its limit and to establish new inequalities for this constant.","PeriodicalId":43667,"journal":{"name":"Muenster Journal of Mathematics","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87715079","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Retracted: Evaluation of SMEs’ Credit Decision Based on Support Vector Machine-Logistics Regression","authors":"Journal of Mathematics","doi":"10.1155/2023/9809741","DOIUrl":"https://doi.org/10.1155/2023/9809741","url":null,"abstract":"<jats:p />","PeriodicalId":43667,"journal":{"name":"Muenster Journal of Mathematics","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78228288","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Retracted: Automatic Classification Method of Music Genres Based on Deep Belief Network and Sparse Representation","authors":"Journal of Mathematics","doi":"10.1155/2023/9871670","DOIUrl":"https://doi.org/10.1155/2023/9871670","url":null,"abstract":"<jats:p />","PeriodicalId":43667,"journal":{"name":"Muenster Journal of Mathematics","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81740991","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Retracted: Evaluation of the Effect of Ideological and Political Education on Psychological Crisis Intervention for University Students Based on Data Mining Algorithm","authors":"Journal of Mathematics","doi":"10.1155/2023/9868607","DOIUrl":"https://doi.org/10.1155/2023/9868607","url":null,"abstract":"<jats:p />","PeriodicalId":43667,"journal":{"name":"Muenster Journal of Mathematics","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81305227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Retracted: Analysis of Intelligent Translation Systems and Evaluation Systems for Business English","authors":"Journal of Mathematics","doi":"10.1155/2023/9792569","DOIUrl":"https://doi.org/10.1155/2023/9792569","url":null,"abstract":"<jats:p />","PeriodicalId":43667,"journal":{"name":"Muenster Journal of Mathematics","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86747864","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Retracted: Teaching Quality Evaluation of Ideological and Political Courses in Colleges and Universities Based on Machine Learning","authors":"Journal of Mathematics","doi":"10.1155/2023/9869537","DOIUrl":"https://doi.org/10.1155/2023/9869537","url":null,"abstract":"<jats:p />","PeriodicalId":43667,"journal":{"name":"Muenster Journal of Mathematics","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86522035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Retracted: On Multiplicative Topological Invariants of Magnesium Iodide Structure","authors":"Journal of Mathematics","doi":"10.1155/2023/9836426","DOIUrl":"https://doi.org/10.1155/2023/9836426","url":null,"abstract":"<jats:p />","PeriodicalId":43667,"journal":{"name":"Muenster Journal of Mathematics","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91120744","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Retracted: Research on the Integration of Preschool Language Education Resources Based on Metadata Storage","authors":"Journal of Mathematics","doi":"10.1155/2023/9812914","DOIUrl":"https://doi.org/10.1155/2023/9812914","url":null,"abstract":"<jats:p />","PeriodicalId":43667,"journal":{"name":"Muenster Journal of Mathematics","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83214626","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Retracted: Application of Mobile Technology in College English Vocabulary Teaching","authors":"Journal of Mathematics","doi":"10.1155/2023/9756056","DOIUrl":"https://doi.org/10.1155/2023/9756056","url":null,"abstract":"<jats:p />","PeriodicalId":43667,"journal":{"name":"Muenster Journal of Mathematics","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72520307","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}