http://nopr.niscpr.res.in/handle/123456789/66190 Sat, 10 Oct 2026 22:21:22 GMT 2026-10-10T22:21:22Z http://nopr.niscpr.res.in/handle/123456789/66200 Title: Design, synthesis, characterization and biological evaluation, of novel N-substituted 1,2,3,4-tetrahydropyrimidines-5-carboxamide derivatives Authors: J Solanki, Manish; R Vaccharajani, P; B Audichya, Vipul Abstract: Pyrimidine and its derivatives play a significant role in bioactive heterocyclic compounds especially for antibacterial and as well as antifungal activities. By keeping these as central facts, some newly designed pyrimidine derivatives of 5-[N- (substitutedphenyl)]-carboxamido-1,2,3,6-tetrahydro-1,4-dimethyl-2-oxo-6-(m-phenoxyphenyl)-pyrimidines 4a-j have been synthesized by the condensation of m-phenoxybenzaldehyade, N-(4-substitutedphenyl)-oxobutanamides and N-methyl urea in presence of catalytic amount of acid. The structure of these synthesized novel compounds have been confirmed by methods like IR, NMR and mass spectroscopy, and screened for their antibacterial activities. Page(s): 657-662 Tue, 01 Jul 2025 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/66200 2025-07-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/66199 Title: Synthesis, characterization, PASS prediction, molecular docking and ADME study of benzo[b]thiophen-5-amine based biologically active Schiff bases Authors: V Zala, Raksha; S Vaya, Chandresh; Jani, Rakesh Abstract: Adopting the potentiality of benzo[b]thiophene moiety and Schiff base compounds, a series of Schiff base compounds namely, 2-{[(1-benzothiophen-5-yl)imino]methyl}phenol i.e. 5a, 3-{[(1-benzothiophen-5-yl)imino]methyl}benzene-1,2-diol i.e. 5b, 2-{[(1-benzothiophen-5-yl)imino]methyl}-6-methoxyphenol i.e. 5c, 2-{[(1-benzothiophen-5-yl)imino]methyl}-5- methoxyphenol i.e. 5d, 2-{[(1-benzothiophen-5-yl)imino]methyl}-4-nitrophenol i.e. 5e and 2-{[(1-benzothiophen-5- yl)imino]methyl}-4-chlorophenol i.e. 5f have been synthesized in good yields and characterized by FT-IR, 1H and 13C NMR, and mass spectroscopy. Biological activity has been checked after performing antimicrobial and antifungal activity studies of synthesized compounds using the Minimum Inhibitory Concentration (MIC) determination technique. Computational studies like PASS (Prediction of Activity Spectra for Substances) prediction, molecular docking, and an ADME (Absorption, Distribution, Metabolism, Excretion) study have been performed to gain insight into the synthesized molecules’ in silico properties. Page(s): 663-669 Tue, 01 Jul 2025 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/66199 2025-07-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/66198 Title: Greener synthesis, molecular docking, antimicrobial and antimalarial activities of some unsaturated ketones Authors: Gayathri, P; Divya, J; Muthuvel, I; Usha, V; Retna, Malar; Thirunarayanan, G Abstract: A series of α,β-unsaturated ketones including isoquinoline enones have been synthesised by fly-ash:sulphated SnO2 catalyzed Crossed-Aldol condensation of various aryl methyl ketones and aldehydes under solvent-free microwave irradiation technique. In this synthetic methodology, the obtained yield of the unsaturated ketones is more than 90%. The synthesised ketones have been characterized by their physical constants, micro analysis and spectroscopic data. The molecular docking and, in vitro antimicrobial and antimalarial activities of the synthesised ketones have been studied. Page(s): 670-681 Tue, 01 Jul 2025 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/66198 2025-07-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/66197 Title: Effect of role of industrially important solvents on excess thermodynamic functions of non-electrolyte solutions Authors: Hari Krishna, N; M Prasuna, K; Baby, T; Venkateswarlu, P; Ramachandra, B Abstract: The density (ρ) with displacements (u) for mixtures of binary compounds containing 1,3-dichlorobenzene containing o-, m-, and p-cresol have been experimentally determined and has an expression within the temperature span of 303.15, 308.15 and 313.15K in addition to over the entire mixture span. The evaluation for all aqueous integrates has been utilized for calculating surplus volumes (VE), surplus isotropic compressibility (KsE), along with isotropic compressible material (Ks). The Redlich-Kister expression has been fitted using the estimated surplus variables. The outcomes have been studied in the light of chemical mechanisms and structural implications among individual compounds. Various theoretical models have been employed for evaluating the obtained aqueous integrates based on noise data, particularly a collision aspect hypothesis. For identical configurations, compressibilities and surplus fractional molecular quantities have been evaluated Page(s): 682-687 Tue, 01 Jul 2025 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/66197 2025-07-01T00:00:00Z