http://nopr.niscpr.res.in/handle/123456789/57667 Sat, 10 Oct 2026 21:44:27 GMT 2026-10-10T21:44:27Z http://nopr.niscpr.res.in/handle/123456789/57673 Title: Structural characterization of catena-[bis(μ-4-nitrobenzoato)-diaqua-calcium 4,4'- bipyridine] and catena-[bis(μ-4-nitrobenzoato)-diaqua-calcium 1H-1,2,4-triazole] Authors: Srinivasan, Bikshandarkoil R; Dhavskar, Kiran T; Raghavaiah, Pallepogu Abstract: An attempted incorporation of N-donor ligand in the coordination sphere of Ca in the molecular solid [Ca(H2O)4(4-nba)2] (4-nba=4-nitrobenzoate) resulted in the formation of the one-dimensional (1D) coordination polymers catena-[bis(μ-4- nitrobenzoato)-diaqua-calcium 4,4'-bipyridine] 1 and catena-[bis(μ-4-nitrobenzoato)-diaqua-calcium 1H-1,2,4-triazole] 2 with the N-heterocycle functioning as a solvate. The syntheses, crystal structures and properties of [Ca(H2O)2(4-nba)2]·L (L=4,4′-bipyridine 1; L=1H-1,2,4-triazole 2) are reported. The central Ca(II) in 1 and 2 exhibits eight-coordination and the aqua ligands are terminal, while 4-nitrobenzoate functions as a μ2-bridging ligand. The μ2-η2:η1 tridentate binding mode of the 4-nba ligand results in the formation of an infinite chain of edge-sharing {CaO8} polyhedra flanked by the 4-nitrobenzoates. The solvate 4,4′-bipyridine in 1 (or 1,2,4-triazole in 2) links adjacent polymeric chains with the aid of O-H···N hydrogen bonding interactions. A comparative study of {CaOx} polyhedral linking in structurally characterized calcium coordination polymers based on 4-nitrobenzoate is described. Page(s): 785-796 Tue, 01 Jun 2021 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/57673 2021-06-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/57672 Title: Synthesis, characterization and biological evaluation of heterocyclic triazole derived Schiff base ligands comprising Mn(II) complexes: Implications of their DNA/protein binding docking and anticancer activity studies Authors: V Sangeetha, T; Mohanapriya, S; Bhuvaneswari, N Abstract: Schiff base ligands comprising heterocyclic moieties deserve distinct consideration because of their excellent chemotherapeutic and antioxidant properties as biologically active agents. In present investigation, two novel heterocyclic triazole derived Schiff base ligands have been synthesized using 3-chlorobenzaldehyde (L1), 4-methoxybenzaldehyde (L2) with 1H-1,2,4-triazol-3-amine backbone that are biologically active. Mn(II) complexes have been synthesized by combing ligands in 1:2 molar ratio (metal:ligand), their structure and bonding nature are recognised by respective physical, spectral and analytical data. The ligands (L1 & L2) and their metal complexes are characterized by elemental analyses, electronic, FT-IR, 1H and 13C NMR and EPR spectroscopy techinques. Antimicrobial activity of the synthesized L1, L2 and their metal complexes are tested against Bacillus subtilis (Gram-positive, catalase-positive bacterium) as well as Fungi namely Phylium Aphanidematum, Macrophomina phasiolina, Fusarium oxysporum. Both the ligands and metal complexes exhibit excellent antimicrobial activity under low inhibitory concentration such MIC ≤ 250 μg/mL. Upon co-ordination, antimicrobial properties have been enhanced by 21%. The anticancer activity of the synthesized complex has been investigated against human tumour cell lines (Breast cancer MCF-7 cells) demonstrated that L1M complex displays potent inhibition against MCF-7. Using this molecular docking study, we can predict the complex–biomolecular interaction and it plays vital role in the drug discovery and also it is a step by step process which is used to place synthesised compounds into the binding sites of the DNA molecule. Further, Molecular DNA docking results demonstrated encouraging responses, thereby opening up new avenues for the application of the synthesized inorganic triazole derivative complexes as leads for the development of novel anti-cancer drugs. Page(s): 797-805 Tue, 01 Jun 2021 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/57672 2021-06-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/57671 Title: Nickel(II) chelates with N-phenethyl-iminodiacetate(2-)-like ligands: Synthesis, crystal structure and spectroscopic studies Authors: Patel, Dheerendra Kumar; Choquesillo-Lazarte, Duane; Domínguez-Martín, Alicia; González-Pérez, Josefa María; Niclós-Gutiérrez, Juan Abstract: The stoichiometric reactions between Ni(II) hydroxy-carbonates and N-p-(R)-H2pheida derivatives (R = MeO or F for MOpheida or Fpheida, respectively) yield two binary compounds [Ni(MOpheida)(H2O)3] (1) and [Ni(Fpheida)(H2O)3] (2). The crystal of compounds 1 and 2 are iso-type; space group P21/c. Our crystallographic results revealed that both studied metal-chelates have molecular structure and the used p-R substituents on the pheida skeleton yield the same structural features. The IDA moiety of pheida-like ligands exhibit the fac-NO2 conformation (1 & 2). Crystal structure of H2Fpheida free acid have also been reported herein. Page(s): 806-811 Tue, 01 Jun 2021 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/57671 2021-06-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/57670 Title: Transition metal ion (Ni2+, Cu2+ and Zn2+) doped defect pyrochlore, KTaTeO6: Synthesis, characterization and photocatalytic studies Authors: Sudheera, M; Venkataswamy, P; Ramaswamy, K; Ravi, G; Chittibabu, N; Vithal, M Abstract: One of the strategies to decrease the bandgap energy and increase the optical absorption of the catalysts is to dope with transition metal ions. In this paper, the results obtained for the degradation of methylene blue (MB) pollutant in the presence of M2+ (M = Ni, Cu, and Zn) doped KTaTeO6 (M-KTTO) upon visible light irradiation are presented. The parent KTaTeO6 and the M-KTaTeO6 were prepared by solid-state and ion-exchange methods, respectively. All the samples were characterized by XRD, SEM/EDX, FT-IR, UV-vis DRS, XPS, and PL techniques. The metal ion doping in place of K+ has influenced the electronic and optical properties considerably. The doping of M2+ into KTTO lattice has narrowed the bandgap energy, increased the visible light absorbance leading to higher photocatalytic activity. The M-KTTO materials show higher photocatalytic activity compared to parent KTTO, particularly Cu-KTTO. The scavenging experiments indicate that •OH radicals are the main active species involved in the photodegradation of MB. The Cu-KTTO is chemically stable and can be used for at least up to five cycles. The mechanistic pathway of MB degradation was proposed over Cu-KTTO. Page(s): 812-823 Tue, 01 Jun 2021 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/57670 2021-06-01T00:00:00Z