European Journal of Chemistry

Metal(II) triazole complexes: Synthesis, biological evaluation, and analytical characterization using machine learning-based validation

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Published: Mar 31, 2023
DOI: https://doi.org/10.5155/eurjchem.14.1.155-164.2396
Keywords:
Complexes, Fungal strains, Transition metal, Machine learning, K-Nearest neighbors
Section
Research Article
Issue
Vol. 14 No. 1 (2023): March 2023
Dates
Received 2022-12-24
Accepted 2023-02-06
Published 2023-03-31
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Main Article Content

Muhammad Yousaf Arshad
Department of Chemical Engineering, Faculty of Chemical and Petroleum Engineering, University of Engineering and Technology, Lahore, 54000, Pakistan
https://orcid.org/0000-0002-2081-0057
Aqsa Rashid
Department of Chemistry, Faculty of Applied Sciences, Government College Women University, Faisalabad, 38000, Pakistan
https://orcid.org/0000-0002-6913-917X
Faisal Mahmood
Department of Energy Systems Engineering, Faculty of Agricultural Engineering and Technology, University of Agriculture, Faisalabad, 38000, Pakistan
https://orcid.org/0000-0003-4833-9225
Salaha Saeed
Institute of Environmental Engineering and Research, Faculty of Civil Engineering, University of Engineering and Technology, Lahore, 54000, Pakistan
https://orcid.org/0000-0002-4892-0581
Anam Suhail Ahmed
Mud-Logging and Well Drilling Department, Halliburton Company, Delaware, 19720, United States of America
https://orcid.org/0000-0001-5481-2539

Abstract

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.


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Arshad, M. Y.; Rashid, A.; Mahmood, F.; Saeed, S.; Ahmed, A. S. Metal(II) Triazole Complexes: Synthesis, Biological Evaluation, and Analytical Characterization Using Machine Learning-Based Validation. Eur. J. Chem. 2023, 14, 155-164.

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