A topological index is a real number obtained from the chemical graph structure. It can predict the physicochemical and biological properties of many anticancer medicines like blood, breast and skin cancer. This can be done through degree-based topological indices.. In this article, the drugs, azacitidine, buslfan, mercaptopurine, tioguanine, nelarabine, etc. which are used in order to cure blood cancer are discussed and the purpose of the QSPR study is to determine the mathematical relation between the properties under investigation (eg, boiling point, flash point etc.) and different descriptors related to molecular structure of the drugs. It is found that topological indices (TIs) applied on said drugs have a good correlation with physicochemical properties in this context.
A topological index is a real number derived from the structure of a chemical graph. It is helpful to determine the physicochemical and biological properties of a wide range of drugs, and it better reflects the theoretical properties of organic compounds. This is accomplished using degree‐based topological indices. Vitiligo is a common, acquired skin pigmentation disorder that significantly impacts the quality of life. It frequently embodies a therapeutic challenge, resulting in interest in alternative treatments based on vitamin and herbal supplements. In this article, azathioprine, clobetasol, desonide, hydrocortisone valerate, and other drugs utilized to cure vitiligo have discoursed, and the goal of QSPR revision is to determine the mathematical relationship between properties under investigation (e.g., polarity and enthalpy) and diverse descriptors associated with the drugs’ molecule. The QSPR model will help to predict physical properties. In this study, topological indices (TIs) imposed on said drugs were found to have a good correlation with physicochemical properties in this course. Finally, this work can be helpful to design and synthesize new vitiligo treatments and other disease drugs.
15 February 2022 in Mathematical Problems in Engineering
In this work, we applied the modified Chun-Hui He’s algorithm to evaluate for estimation of flow friction factor for value of friction factor by using Colebrook–White relation. The speedy, precise, and consistent evaluation of flow friction factor are essential for evaluation of pressure dips and streams in complex network prototypes at distinct values of diameters of pipes. Friction factor estimated outcomes are applied in everyday engineering routine. Numerous computational systems tested for distinguishing of water pipe networks resolution, such as Hardy Cross method (HCM), Newton method (NM), and modified Newton method (MNM), are presented. As a novelty, a modified Newton method tabulated data, graphical results, and comparisons that are presented with different numerical schemes.
25 November 2023 in Discrete Dynamics in Nature and Society
A topological index is a real number derived from the structure of a chemical graph. It helps determine the physicochemical and biological properties of a wide range of drugs, and it better reflects the theoretical properties of organic compounds. This is accomplished using degree-based topological indices. We examined some of the physiochemical characteristics of thirteen HIV therapy medications and created a QSPR model utilizing nine of the medication’s topological indices. The melting point, boiling point, flash point, complexity, surface tension, etc., of HIV medicines are closely related according to this QSPR model. This work can help to design and synthesize new HIV treatments and other disease drugs.
A topological index of a graph is a single numeric quantity which relates the chemical structure with its underlying physical and chemical properties. Topological indices of a nanosheet can help us to understand the properties of the material better. This study deals with computation of degree-dependent topological indices like the Randic index, first Zagreb index, second Zagreb index, geometric arithmetic index, atom bond connectivity index, sum connectivity index and hyper Zagreb index of nanosheet covered by C3 and C6. Furthermore, M-polynomial of the nanosheet is also computed, which provides an alternate way to express the topological indices.
Octa Graphene is a carbon nanosheet constructed by octagons and squares to build a unit cell. Topological properties of nano sheets based on Octa graphene are investigated in this article for the first time. Octa Graphene play a role as a Nano carrier for drug delivery and plays vital role in cell base drug delivery applications. Two structures, Namely Octa‐Grayphyne and Octa‐Graphdine are investigated topically in this article. Mechanically Octa‐Grayphyne and Octa‐Graphdine are of immense interest in Nano structural batteries and other Nano devices. The ultimate value of these Nano sheets in nano electronics can be interpreted by observing their electronic structure and vibrational properties.