Kamran, Ujala Gul, Fahad M. Alotaibi, K. Shah, T. Abdeljawad
{"title":"Computational Approach for Differential Equations with Local and Nonlocal Fractional-Order Differential Operators","authors":"Kamran, Ujala Gul, Fahad M. Alotaibi, K. Shah, T. Abdeljawad","doi":"10.1155/2023/6542787","DOIUrl":"https://doi.org/10.1155/2023/6542787","url":null,"abstract":"Laplace transform has been used for solving differential equations of fractional order either PDEs or ODEs. However, using the Laplace transform sometimes leads to solutions in Laplace space that are not readily invertible to the real domain by analytical techniques. Therefore, numerical inversion techniques are then used to convert the obtained solution from Laplace domain into time domain. Various famous methods for numerical inversion of Laplace transform are based on quadrature approximation of Bromwich integral. The key features are the contour deformation and the choice of the quadrature rule. In this work, the Gauss–Hermite quadrature method and the contour integration method based on the trapezoidal and midpoint rule are tested and evaluated according to the criteria of applicability to actual inversion problems, applicability to different types of fractional differential equations, numerical accuracy, computational efficiency, and ease of programming and implementation. The performance and efficiency of the methods are demonstrated with the help of figures and tables. It is observed that the proposed methods converge rapidly with optimal accuracy without any time instability.","PeriodicalId":43667,"journal":{"name":"Muenster Journal of Mathematics","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75876427","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":"Analysis of Zigzag and Rhombic Benzenoid Systems via Irregularity Indices","authors":"M. Awais, Zulfiqar Ahmed, W. Khalid, E. Bonyah","doi":"10.1155/2023/4833683","DOIUrl":"https://doi.org/10.1155/2023/4833683","url":null,"abstract":"<jats:p>Topological indices are numerical quantities associated with the molecular graph of a chemical structure. These indices are used to predict various properties of chemical structures. Imbalance-based analysis is an advanced technique used for chemical compounds with irregular characteristics. The molecular graphs of zigzag benzenoid systems <jats:inline-formula>\u0000 <math xmlns=\"http://www.w3.org/1998/Math/MathML\" id=\"M1\">\u0000 <mfenced open=\"(\" close=\")\" separators=\"|\">\u0000 <mrow>\u0000 <msub>\u0000 <mrow>\u0000 <mi>Z</mi>\u0000 </mrow>\u0000 <mrow>\u0000 <mi>p</mi>\u0000 </mrow>\u0000 </msub>\u0000 </mrow>\u0000 </mfenced>\u0000 </math>\u0000 </jats:inline-formula> and rhombic benzenoid systems <jats:inline-formula>\u0000 <math xmlns=\"http://www.w3.org/1998/Math/MathML\" id=\"M2\">\u0000 <mfenced open=\"(\" close=\")\" separators=\"|\">\u0000 <mrow>\u0000 <msub>\u0000 <mrow>\u0000 <mi>R</mi>\u0000 </mrow>\u0000 <mrow>\u0000 <mi>p</mi>\u0000 </mrow>\u0000 </msub>\u0000 </mrow>\u0000 </mfenced>\u0000 </math>\u0000 </jats:inline-formula> are inherently irregular. Therefore, applying the imbalance technique to these molecular structures plays an important role in predicting different properties. In this paper, we calculate sixteen irregularity indices for both <jats:inline-formula>\u0000 <math xmlns=\"http://www.w3.org/1998/Math/MathML\" id=\"M3\">\u0000 <msub>\u0000 <mrow>\u0000 <mi>Z</mi>\u0000 </mrow>\u0000 <mrow>\u0000 <mi>p</mi>\u0000 </mrow>\u0000 </msub>\u0000 </math>\u0000 </jats:inline-formula> and <jats:inline-formula>\u0000 <math xmlns=\"http://www.w3.org/1998/Math/MathML\" id=\"M4\">\u0000 <msub>\u0000 <mrow>\u0000 <mi>R</mi>\u0000 </mrow>\u0000 <mrow>\u0000 <mi>p</mi>\u0000 </mrow>\u0000 </msub>\u0000 </math>\u0000 </jats:inline-formula> systems. By examining these indices, we aim to provide insights into the properties of these structures and ultimately contribute to a","PeriodicalId":43667,"journal":{"name":"Muenster Journal of Mathematics","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75839286","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}
Shahid Zaman, M. Salman, Asad Ullah, S. Ahmad, Mohammed Salaheldeen Abdelgader Abas
{"title":"Three-Dimensional Structural Modelling and Characterization of Sodalite Material Network concerning the Irregularity Topological Indices","authors":"Shahid Zaman, M. Salman, Asad Ullah, S. Ahmad, Mohammed Salaheldeen Abdelgader Abas","doi":"10.1155/2023/5441426","DOIUrl":"https://doi.org/10.1155/2023/5441426","url":null,"abstract":"Topological characterization of 3D molecular structures is an emerging study area in theoretical and computational chemistry. These structural descriptors are used in a variety of domains, including chemical graph theory, drug delivery, and nanomaterial characterization. Quantitative structural descriptors can be used to characterize the chemical and physical properties of a given compound. Topological indices of molecular graphs are numerical quantities that allow us to collect information about the chemical structure and reveal its hidden qualities without performing experiments. Due to the low cost of implementation, zeolite networks are considered popular chemical networks. Zeolites are widely used networks with applications in chemistry, medicine, and commercial production owing to their excellent chemical features. The sodalite network is composed of a very unique type of zeolite framework called sodalite. It is a three-dimensional network of interconnected cages and tunnels that provide an ideal environment for a wide range of chemical and physical processes. This paper deals with the sodalite material network’s degree-based and reverse degree-based irregularity indices. These indices provide a quantitative measure of the irregular behaviour of the sodalite material network. It can be used to identify areas of the network where irregular behaviour is occurring and to compare different networks to determine which is more irregular. Additionally, these indices can be used to monitor changes in irregularity over time, allowing us to measure the impact of any interventions that are implemented.","PeriodicalId":43667,"journal":{"name":"Muenster Journal of Mathematics","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73814054","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}
Muhammad Kamran, Muhammad Farman, Seyma Ozon Yildirim, Sadik Delen, I. Naci Cangul, Maria Akram, M. Pandit
{"title":"Novel Degree-Based Topological Descriptors of Fenofibrate Using M-Polynomial","authors":"Muhammad Kamran, Muhammad Farman, Seyma Ozon Yildirim, Sadik Delen, I. Naci Cangul, Maria Akram, M. Pandit","doi":"10.1155/2023/2037061","DOIUrl":"https://doi.org/10.1155/2023/2037061","url":null,"abstract":"Chemical graph theory is currently expanding the use of topological indices to numerically encode chemical structure. The prediction of the characteristics provided by the chemical structure of the molecule is a key feature of these topological indices. The concepts from graph theory are presented in a brief discussion of one of its many applications to chemistry, namely, the use of topological indices in quantitative structure-activity relationship (QSAR) studies and quantitative structure-property relationship (QSPR) studies. This study uses the M-polynomial approach, a newly discovered technique, to determine the topological indices of the medication fenofibrate. With the use of degree-based topological indices, we additionally construct a few novel degree based topological descriptors of fenofibrate structure using M-polynomial. When using M-polynomials in place of degree-based indices, the computation of the topological indices can be completed relatively quickly. The topological indices are also plotted. Using M-polynomial, we compute novel formulas for the modified first Zagreb index, modified second Zagreb index, first and second hyper Zagreb indices, SK index, \u0000 \u0000 S\u0000 \u0000 \u0000 K\u0000 \u0000 \u0000 1\u0000 \u0000 \u0000 \u0000 index, \u0000 \u0000 S\u0000 \u0000 \u0000 K\u0000 \u0000 \u0000 2\u0000 \u0000 \u0000 \u0000 index, modified Albertson index, redefined first Zagreb index, and degree-based topological indices.","PeriodicalId":43667,"journal":{"name":"Muenster Journal of Mathematics","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2023-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76975595","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}