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  • Open Access

    ARTICLE

    Analysis of Eigenvalues for Molecular Structures

    Muhammad Haroon Aftab1, Kamel Jebreen2,*, Mohammad Issa Sowaity3, Muhammad Hussain4

    CMC-Computers, Materials & Continua, Vol.73, No.1, pp. 1225-1236, 2022, DOI:10.32604/cmc.2022.029009

    Abstract In this article, we study different molecular structures such as Polythiophene network, for and , Orthosilicate (Nesosilicate) , Pyrosilicates (Sorosilicates) , Chain silicates (Pyroxenes), and Cyclic silicates (Ring Silicates) for their cardinalities, chromatic numbers, graph variations, eigenvalues obtained from the adjacency matrices which are square matrices in order and their corresponding characteristics polynomials. We convert the general structures of these chemical networks in to mathematical graphical structures. We transform the molecular structures of these chemical networks which are mentioned above, into a simple and undirected planar graph and sketch them with various techniques of mathematics. The matrices obtained from these… More >

  • Open Access

    ARTICLE

    Synthesis, Pharmacological Evaluation, and In-Silico Studies of Thiophene Derivatives

    Raghav Mishra1,2,*, Nitin Kumar3, Neetu Sachan2

    Oncologie, Vol.23, No.4, pp. 493-514, 2021, DOI:10.32604/oncologie.2021.018532

    Abstract The relevance of Retinoic acid receptor-related orphan receptors in cancer progression has sparked interest in developing multifunctional therapeutics. In the search for potentially active novel compounds with anticancer characteristics, the Gewald reaction was employed to develop different thiophene derivatives (8a–8i). Physicochemical and spectroanalytical investigations verified the molecular structures of the synthesized derivatives. Using an in vitro primary anticancer assay, NCI chose all of the synthesized molecules as prototypes and assessed their anticancer efficacy against a panel of various cancer cell lines representing nine distinct neoplasms. The compounds were found to have a wide range of anticancer activity. Following significant anticancer… More >

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