New triazole-based Schiff base ligands and their Co(II) and Ni(II) complexes as biological potent molecules: Chemical preparation, structural elucidation and biological studies

Preparation of sequence of Co(II) and Ni(II) metal complexes (C1a - C3a and C1b - C3b) of bidentate ligands (L1 - L3) has been resulted from the condensation of substituted 1,2,4-triazole with various substituted 1,3-diphenyl-1H-pyrazole-4-carbaldehyde are described in the present study. The structures of synthesized complexes were established by elemental investigation, IR, mass spectroscopy and TGA examinations. The data confirmed that bonding through the nitrogen atom from imine group and sulfur atom of triazole, ligand get integrated with the metal ions in a bidentate nature, gave an octahedral geometry to the complexes. The antibacterial activities have been tested against S. aureus Gram-positive bacteria and E. coli Gram-negative bacteria. Further, through DPPH radical scavenging capacity assay the antioxidant activity values were quantified; all the compounds demonstrate outstanding antioxidant activities. Using molecular docking and highest binding affinities for biological targets, the ligand and complex interactions have been studied. The in vitro anti-proliferative nature of synthesized ligands and their Ni(II) and Co(II) complexes were appraised with the help of SRB assay against Human hepato carcinoma cell (Hep-G2), Lung cells (A-549), Breast cell (MCF-7), Prostate cell (PC-3). Anti-tubercular studies revealed that the complex demonstrates a greater anti-tubercular activity than the analogous ligands

Novel terephthalaldehyde bis(thiosemicarbazone) Schiff base ligand and its transition metal complexes as antibacterial Agents: Synthesis, characterization and biological investigations

The synthesis and structural characterization of mixed ligand metal complexes from terephthalaldehyde bis(thiosemicarbazone) (TPTSC) (L1) and alanine (L2) by using ultrasonication are reported. The ligand and their transition metal complexes were characterized on the basis of their elemental, FT-IR, magnetic moment, molar conductance, mass spectra, and SEM analysis. The mixed ligand complexes are in the ratio 2:1:2 [M:L1:L2] ratio as found from the elemental analyses and found to have the formulae [M2L1(L2)2].nH2O where M = Co(II), Ni(II), Cu(II), Cd(II) and Zn(II), L1 = TPTSC and L2 = alanine. The molar conductance data show that complexes are non-electrolytes. FT-IR spectra show that the Schiff base is coordinated to the metal ions in a bidentate manner with N and S donor sites of the terephthalaldehyde bis(thiosemicarbazone) and second ligand alanine coordinated to the metal ions via its N and O of amino acid. The geometrical structure of these complexes is found to be tetrahedral. The antimicrobial activity of the synthesized Schiff base ligand and mixed-ligand metal complexes have been screened against gram-positive and gram-negative bacteria and two fungi species were tested. Mixed ligand complexes exhibited significant antibacterial activity against Klebsiella Pneumoniae, Salmonella typhi, Enterococcus Faecalis, Staphylococcus aureus, Escherichia coli and the fungi Aspergillus flavus and Aspergillus niger. Further, these compounds have been screened for their anticancer activity using Human Breast Cancer Cell Line MDA-MB-231

Preparation, Characterization and In Vitro Biological Activities of New Diphenylsulphone Derived Schiff Base Ligands and Their Co(II) Complexes

The present work describes the chemical preparation of Schiff bases derived from 4,4′-diaminodiphenyl sulfone (L1–L5) and their Co(II) metal complexes. The evaluation of antimicrobial and anticancer activities against MCF-7 cell line and human lung cancer cell line A-549 was performed. The aforementioned synthesized compounds are characterized by spectroscopic techniques and elemental analysis confirms successful synthesis. The results from the above analytical techniques revealed that the complexes are in an octahedral geometry. The antimicrobial activity of the synthesized Schiff base ligands and their metal complexes under study was carried out by using the agar well diffusion method. The ligand and complex interactions for biological targets were predicted using molecular docking and high binding affinities. Further, the anticancer properties of the synthesized compounds are performed against the MCF-7 cell line and human lung cancer cell line A-549 using adriamycin as the standard drug

Book of Abstracts of the 2nd International Conference on Applied Mathematics and Computational Sciences (ICAMCS-2022)

It is a great privilege for us to present the abstract book of ICAMCS-2022 to the authors and the delegates of the event. We hope that you will find it useful, valuable, aspiring, and inspiring. This book is a record of abstracts of the keynote talks, invited talks, and papers presented by the participants, which indicates the progress and state of development in research at the time of writing the research article. It is an invaluable asset to all researchers. The book provides a permanent record of this asset. Conference Title: 2nd International Conference on Applied Mathematics and Computational SciencesConference Acronym: ICAMCS-2022Conference Date: 12-14 October 2022Conference Organizers: DIT University, Dehradun, IndiaConference Mode: Online (Virtual