http://nopr.niscpr.res.in/handle/123456789/59568 Sat, 10 Oct 2026 06:16:15 GMT 2026-10-10T06:16:15Z http://nopr.niscpr.res.in/handle/123456789/60880 Title: Sonocatalytic degradation of direct blue dye using semiconductor nanocatalyst Authors: Bhavani, R; Sivasamy, A Abstract: The toxic pollutants present in water should be treated by advanced oxidation processes (AOP). This investigation deals with study of sonocatalytic degradation of the prepared zinc oxide nanorods (ZnONR) under ultrasonic (US) irradiation for the degradation of Direct blue (DB71) dye molecule. ZnONR has been prepared by sol-gel method using zinc acetate and ammonia. The prepared ZnONR have been characterized using FT-IR, XRD, FE-SEM, HR-TEM, EDAX, AFM and BET techniques and found that the prepared catalyst is highly crystalline with hexagonal structured nano rods with Wurtzite crystal phase. In-situ generation of the OH. radicals has been analyzed by EPR technique. Preliminary experiments are conducted such as effects of pH, catalyst loading, dye concentration and effect of energy input to optimize suitable experimental conditions. Kinetics of sonocatalytic degradation of dye molecules have also been carried out and the reaction followed pseudo first-order kinetics. The interference of electrolytes on the degradation of dye molecules has also been carried out. Degradation of the dye molecules are examined by UV-Visible absorption, COD and TOC measurements. The by-products formation of the degraded samples has been analyzed by ESI-MS+ technique. The reusability of the catalyst for its efficiency and the degradation of real dye house effluents have also been tested Page(s): 599-615 Tue, 01 Nov 2022 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/60880 2022-11-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/60879 Title: Molecular docking and computational studies investigation on a bioactive anti-cancer drug: Thiazole derivatives Authors: Viji, A; Vijayakumar, R; Balachandran, V; Vanasundari, K; Janaki, M Abstract: In the present work, the 1-Benzyl-3-[2-(3-(4-chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5(4H)-ylidene]-2,3-dihydro-1H-indol-2-one (BCPOT) anticancer candidates to treatment of breast cancer based on B3LYP level 6-31G(d,p) and LanL2DZ basis sets calculations and molecular docking. BCPOT have been proposed as potential stabilization energies, and topological properties have been evaluated as a function of acceptors and donor groups present in their structures. Detailed interpretation of the vibrational spectral assignments has been carried out using the Potential energy distribution (PED) analysis. The evaluation of the Fukui functions has also been carried out to describe the activity of the sites in the title compound. The non-covalent interaction (NCI) of the molecule has been explained by a reduced density gradient. Molecular electrostatic potential explains the nucleophilic and electrophilic reaction of the molecule. Molecular orbital interaction has been explained by Frontier molecular orbitals. For a better prediction of the anticancer properties of the proposed compound, molecular docking calculations are performed by using four structures of breast cancer activity. Docking results have been discussed based on binding affinities and the interaction types among ligands and different amino acid residues, indicating the powerful ability of ligands in front of the novel cancer disease. Page(s): 616-634 Tue, 01 Nov 2022 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/60879 2022-11-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/60878 Title: Designing efficient metal complex catalysts for acylation: A comparative study with soluble and insoluble catalysts systems Authors: Murugan, E; Arunachalam, P Abstract: New soluble and insoluble Nb, Ta, Mo, and Sb complex catalysts have been developed using pyridine and polymersupported cross-linked (poly-4-vinyl pyridine) bead (PSCPVP), and characterized using FT-IR, SEM, EDAX, elemental analysis (CHN), and TGA. Their ability to catalyze the acylation of ethanol with acetic anhydride at 303K has been proven. Both soluble and insoluble chemicals have the same order of activity: MoCl5, TaCl5, NbCl5, and SbCl5. The insoluble catalyst outperformed in terms of activity by complex catalysts, although they have significant limitations in terms of solubility and recyclability and soluble homogeneous catalysts in terms of lowest cost and recyclability, whereas all soluble Py-MCl5 catalysts exhibit better activity than insoluble PSCPVP-MCl5 catalysts according to the computed kobs values. Insoluble catalysts are preferable than soluble homogeneous catalysts in terms of recyclability, although all the soluble catalysts of Py-MCl5, M= Nb, Ta, Mo, and Sb have exhibited better activity than insoluble PSCPVP-MCl5 (kobs= 6.51, 6.98, 7.48 & 1.73 x103 min-1) based on the computed kobs values. For acylation process, it has been found that the soluble Py- NbCl5, Py-TaCl5, Py-MoCl5, and Py-SbCl5 catalysts whereas 1.47, 1.63, 1.59, and 1.67 folds more active than PSCPVPNbCl5, PSCPVP-TaCl5, PSCPVP-MoCl5, and PSCPVP-SbCl5 correspondingly. Page(s): 635-646 Tue, 01 Nov 2022 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/60878 2022-11-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/60877 Title: Biocompatible dendrimer for the solubility enhancement and sustained release of piroxicam Authors: Murugan, E; Yogaraj, V; Geetharani, D P Abstract: Piroxicam (PRM) a nonsteroidal anti-inflammatory medication is an oxicam-class used orally to treat gout, arthritis, and other inflammatory diseases. However, its poor aqueous solubility and bioavailability has hampered further clinical applications in health industries. This work emphasize on development of four types of functionalised biocompatible dendrimer with generation 0 and 1and examine its solubility, drug release and antibacterial activity. The maximum solubility enhancement of PRM up to 48 folds has been achieved by PAMAM (G1)-CH3 at a concentration of 9.9×10-4 M. The in vitro release gets sustained up to 450 mins for releasing 90% of drug from PAMAM (G1)-COCH3 compared to its parent dendrimer which is 120 min. The anti-bacterial studies reflected that when dendrimers are used as drug carriers, the inherent property of drug is not disturbed, instead the activity has been increased. The activity interms of zone of inhibition results in 1.5-2.0 folds increase and it is more pronounced in the case of B. subtilis rather than E.coli. This observation indicates evidence that dendrimer and their derivatives are promising candidates for drug solubility enhancer and effective delivery of drugs with drastic reduction in side effect and improved efficiency. Page(s): 647-657 Tue, 01 Nov 2022 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/60877 2022-11-01T00:00:00Z