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oai:ojs.www.eurjchem.com:article/2396 2023-06-30T02:16:04Z eurjchem:ART driver

Metal(II) triazole complexes: Synthesis, biological evaluation, and analytical characterization using machine learning-based validation Arshad, Muhammad Yousaf Rashid, Aqsa Mahmood, Faisal Saeed, Salaha Ahmed, Anam Suhail Complexes Fungal strains Transition metal Machine learning K-Nearest neighbors The synthesis of many transition metal complexes containing 3,5-diamino-1,2,4-triazole (Hdatrz) as a ligand with different counter anions Br⎺, Cl⎺, ClO4⎺ and SO42- has been studied extensively, but the chemistry of transition metal nitrate and acetate compounds and their reactivity are relatively unexplored. In this research work, two new series of metal(II) complexes (M = Ni, Co, and Zn) {[Ni3(Hdatrz)6(H2O)6](NO3)6 (1), [Co3(Hdatrz)6(H2O)6](NO3)6 (2), [Zn3(Hdatrz)6(H2O)6](NO3)6 (3), [Ni3(Hdatrz)6(H2O)6](OAc)6 (4), [Co3(Hdatrz)6(H2O)6] (OAc)6 (5) and [Zn3(Hdatrz)6(H2O)6](OAc)6 (6)} have been synthesized. These synthesized complexes were characterized by various physicochemical techniques such as UV-vis spectroscopy, Fourier transform infrared spectroscopy, and magnetic susceptibility measurements. All six complexes were found to be trinuclear and bridged through the Hdatrz ligand. Spectral data suggested a distorted octahedral environment around the central metal ions in these complexes. It also revealed that the NH and OH groups are involved in hydrogen bonding. These complexes were tested against the fungal strains Colletotrichum gloeosporioides and Aspergillus niger. These synthesized complexes have not been observed to have antifungal activities. The machine learning K-nearest neighbours evaluates the analytical characteristics and solubility behavior of the metal complexes. Machine learning models provide results with 75% precision. Atlanta Publishing House LLC 2023-03-31 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion application/pdf https://www.eurjchem.com/index.php/eurjchem/article/view/2396 10.5155/eurjchem.14.1.155-164.2396 European Journal of Chemistry; Vol. 14 No. 1 (2023): March 2023; 155-164 2153-2257 2153-2249 eng https://www.eurjchem.com/index.php/eurjchem/article/view/2396/pdf_2396 Copyright (c) 2023 Authors