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Silver-Based 3D-Supramolecular Metal–Organic Framework: Crystallographic Evaluation, Antibiotic, Anticancer, and Visible-Light-Driven Photocatalytic Activity

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Abstract

A new dinuclear two-dimensional metal–organic framework (MOF) Ag(I) complex of 4-amino-N-pyridin-2yl-benzenesulfonamide (Ag-sprd) was successfully synthesized and characterized by 1H-NMR, FT-IR, and single-crystal X-ray diffraction (SCXRD) analysis. The Ag(I) complex crystallizes in monoclinic space group P21/n. The crystal structure shows an Ag(I) metal coordinated with the secondary ligand tetrahydropyrrole (THP). The molecular structure of the dinuclear [Ag2(C11H9N3O2S)2.(C4H8N)2]n displays the two-dimensional polymeric chain linked via Ag1 metal atom to amino nitrogen N1(Ag1-N1 = 2.831 Å). The crystal structure of Ag(I) complex reveals an argentophilic interaction with Ag1-Ag1a distance of 2.9625(4) Å, showing distorted pyramidal shape and geometry index τ5 = 0.51 for Ag1. The Ag1a forms distorted tetrahedral coordination behavior and geometry index τ4 = 0.54. The Ag(I) complex exhibited remarkable photo-degradation of 98.49% within 120 min against the methylene blue (MB) in visible light radiation. Furthermore, we explored interconnects and interaction energy in crystal packing, complex’s active and non-active surfaces, the Hirshfeld surfaces (HS), and energy framework analysis. The stability of the molecule was assessed using DFT calculations like MEP, MPA, HOMO–LUMO energy, and global reactivity descriptors parameters. The Kb (binding constant) value was obtained for the binding behavior of the Ag(I) complex towards CT-DNA by UV–Vis. absorption titration, confirming the intercalation mode of binding. The Ag(I) complex shows higher inhibitory activity and lower toxicity tendencies than the sprd ligand against a panel of gram (+ ve) and gram (− ve) organisms, according to data of minimum inhibitory concentration (MIC) and cytotoxicity, respectively. Bioinformatics prospecting of biological activities of a compound was carried out using Molinspirational and ADMET-SAR studies.

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Acknowledgements

We are thankful to DST-FIST, New Delhi for funding the single crystal diffractometer facility at the Department of Physics, Sardar Patel University, Vallabh Vidyanagar. Bhavesh N. Socha is thankful to UGC CPEPA-II/2018-19/2442(11) program of P.G. Department of Chemistry, Sardar Patel University, Vallabh Vidyanagar, for the project fellowship. We are thankful for SICART, Vallabh Vidyanagar for NMR, and IR studies. The authors are also thankful to the Department of Chemistry, Sardar Patel University, for DNA binding studies. We are also thankful to the Department of Materials Science for Uv-Vis spectroscopy to analyze the degradation rate.

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Authors and Affiliations

  1. Department of Physics, Sardar Patel University, Vallabh Vidyanagar, Gujarat, 388120, India

    Bhavesh N. Socha, Sachin B. Pandya & Urmila H. Patel

  2. Department of Materials Science, Sardar Patel University, Vallabh Vidyanagar, 388120, Gujarat, India

    Bhavesh N. Socha & R. H. Patel

  3. Department of Chemistry, Sardar Patel University, Vallabh Vidyanagar, Gujarat, 388120, India

    Bhupesh S. Bhatt

  4. Vivekanand P.G. College, Govind Guru Tribal University, Banswara, Rajasthan, India

    Sachin B. Pandya

  5. Bapubhai Desaibhai Patel Institute of Paramedical Sciences, Charotar University of Science and Technology, Changa, Gujarat, India

    Parth Thakor

  6. P. G. Department of Applied and Interdisciplinary Sciences (IICISST), Sardar Patel University, Vallabh Vidyanagar, Gujarat, India

    Anjali B. Thakkar

  7. P. G. Department of Biosciences, Sardar Patel University, Gujarat, India

    Anjali B. Thakkar

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Contributions

BNS: Investigation, Conceptualization, Writing-original draft, Software, Formal analysis, Photocatalyst activity. UHP: Conceptualization, Editing, Supervision, Methodology. SBP: Data curation, Software, Formal analysis. RHP: Supervision., Formal analysis BSB: DNA interactions studies. Parth Thakor: Anticancer activity, Formal analysis ABT: Anticancer activity, Formal analysis

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Socha, B.N., Pandya, S.B., Patel, U.H. et al. Silver-Based 3D-Supramolecular Metal–Organic Framework: Crystallographic Evaluation, Antibiotic, Anticancer, and Visible-Light-Driven Photocatalytic Activity. J Inorg Organomet Polym (2023). https://doi.org/10.1007/s10904-023-02946-9

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