Indian Journal of Chemistry (IJC) https://or.niscpr.res.in/index.php/IJC <p>Started in 1963, Indian Journal of Chemistry was bifurcated into two independent journals, Sections A and B, in 1976. Indian Journal of Chemistry, Sec A (IJC-A) published papers from the fields of inorganic, bio-inorganic chemistry, theoretical and analytical chemistry whereas Indian Journal of Chemistry, Sec B (IJC-B) published papers from organic and medicinal chemistry. From January 2022 onwards, IJC-A has been merged with IJC-B and the combined entity is now published as the monthly journal, Indian Journal of Chemistry.</p> <p><strong>Being a Diamond Open Access Journal, we neither levy any article processing charge (APC) to the authors nor subscription charges to the readers.</strong></p> CSIR-NIScPR en-US Indian Journal of Chemistry (IJC) 0019-5103 Energy-efficient synthesis of ZnO nanoparticles using White Ash Gourd Fruit Extract for their medicinal and environmental applications https://or.niscpr.res.in/index.php/IJC/article/view/13833 <p>This work reported the green synthesis of ZnO nanoparticles (NPs) using white ash gourd fruit juice. The synthesized NPs were characterized by various spectroscopic techniques like UV–visible, FTIR, Powder XRD and FE-SEM. These NPs displayed a prominent absorbance at 357 nm in UV–visible spectra. X-ray diffraction studies confirmed the formation of crystalline ZnO NPs with the wurtzite phase. The average particle size (D) of the synthesized ZnO NPs is found to be 40.48 nm. FE-SEM images revealed that synthesized ZnO NPs have nano-flaky structures. The prepared ZnO NPs achieved 99% photodegradation efficiency against MB dye in 90 min of irradiation of UV light. These synthesized NPs were also examined for three biological activities: Antimicrobial, antioxidant and anti-diabetic. Antimicrobial activity was found to be good to moderate. The synthesized ZnO NPs showed excellent anti-diabetic activity (α-amylase activity) compared to standard with IC<sub>50</sub> value equal to 1.21µg/mL. For α-glucosidase, green synthesized ZnO NPs (IC<sub>50</sub> value 0.23 µg/mL) exhibited excellent inhibition activity compared to standard Acarbose (IC<sub>50</sub> value 0.24 µg/mL). ZnO NPs showed better antioxidant capability as well.</p> RAVI KANT Monika Anuj Mittal Seema Copyright (c) 2025 Indian Journal of Chemistry (IJC) 2025-01-30 2025-01-30 64 1 13 21 10.56042/ijc.v64i1.13833 LIGAND BASED PHARMACOPHORIC DISCOVERY OF NEW CLK1 INHIBITORS https://or.niscpr.res.in/index.php/IJC/article/view/13952 <p>CLK1 has been recognized as an optimistic target against an array of diseases, including cancer due to their pre-mRNA splicing function. In this study, Ligand-based pharmacophore approach has been employed to identify new CLK1 inhibitors from Kinase and FDA approved drug libraries. Two ligands, <strong>K6</strong> and <strong>D1</strong> were extracted, which established consistent interactions with hinge residues while maintaining a web of interactions in DFG region. Additionally, their stable protein dynamics comparable with reference CLK1 inhibitor (<strong>T24</strong>) and Apo ratify them as aspiring CLK1 inhibitors. Further, <strong>D1</strong>, has been identified as a CLK1 binder and <strong>K6</strong> as a potential kinase inhibitor by Swiss target prediction server. Moreover, their adequate pharmacokinetic and toxicity profiles make them worth future investigations.</p> Vidya Jyothi Alli Swapnil Anil Sule Mounika Darna Sai Satya Sri Pulla Pawan Yadav Surender Singh Jadav Copyright (c) 2025 Indian Journal of Chemistry (IJC) 2025-01-30 2025-01-30 64 1 22 37 10.56042/ijc.v64i1.13952 THE SYNTHESIS, CHARACTERIZATION AND FLUORESCENCE SPECTRAL STUDIES OF POLY (DIPHENYLAMINE - AMINOPHENOL) COPOLYMERS USING A REACTIVE SURFACTANT https://or.niscpr.res.in/index.php/IJC/article/view/13995 <p>Poly (para- diphenylamine-co-ortho-aminophenol) copolymers were synthesized through oxidative polymerization with sodium dodecylsulphate as the emulsifying agent. The synthesized copolymer was characterized using UV- visible spectroscopy, FT-IR, XRD, SEM and TG-DTA and DSC. The UV-Vis shows the peak 273 nm is due to the π →π* transition which is related to the extent of conjugation between the adjacent phenylene rings in the polymeric chain. A broad peak that shows in the area of 3850cm <sup>−1</sup> is due to hydrogen-bonded –OH and –NH<sub> 2</sub> groups. Two main peaks between 1564 and 1484 cm<sup> −1 </sup>refer to the ring stretching vibrations of the quinoid and benzenoid rings respectively. The XRD studies confirm the polymer has semicrystalline nature. The SEM analysis of the copolymer exhibited cluster like arrangement on the rough surfaces and wide dispersion, without any regularity in shape.&nbsp; The TGA illustrate there exists three stages of weight loss. The polymer was found to be thermally stable till 518⁰C with the residual mass of 0.48%. The fluorescence spectroscopy data shows that synchronous scanning for both excitation and emission peaks at 399nm.</p> Vetriselvi Jeyakumar Copyright (c) 2025 Indian Journal of Chemistry (IJC) 2025-01-30 2025-01-30 64 1 38 42 10.56042/ijc.v64i1.13995 Synthesis, Spectral Characterization, DFT Calculations and Investigation of Anticancer Properties of Carbothioamide and Metal (FeII and CrIII) Complexes https://or.niscpr.res.in/index.php/IJC/article/view/14056 <p>Schiff base and its metal complexes have a broad application area such as medicine, pharmacy, cosmetics, agriculture, plastic industry, dyestuff production. Recently, the anticancer activities of these compounds have been investigated, and it is a matter of curiosity how the effectiveness changes with complexation. 2-(1-(2-hydroxyphenyl)ethylidene)hydrazine-1-carbotioamide (HL) and its metal (Fe<sup>II</sup> and Cr<sup>III</sup>) complexes were synthesized and investigated by computationally and experimentally. In the calculations, B3LYP-D3/6-31+G(d) for HL and B3LYP-D3/6-31+G(d)(LANL2DZ) for metal complexes were used. Anticancer properties of them were investigated against three different cell lines which are breast cancer (MCF-7), colorectal cancer (HT-29) and gastric cancer (SNU-16). XTT test were used in the cell viability assays. It was found that studied compounds has been found active only breast cancer and Fe(II) complex has the best activity. Structural properties of compound were examined by computationally and experimentally. Electronic properties of the studied compounds (for HL) was investigated by Hirsfeld surface analyses and MEP maps. Anticancer properties of studied compounds were investigated cell viability assays. It was found that synthesized compounds are only active against breast cell line, MCF-7. The best compound was found as [FeL<sub>2</sub>] due to the fact that its IC<sub>50</sub> was calculated as 1.62 µM.</p> Elif GÜNEY Koray SAYIN Hayreddin GEZEGEN Copyright (c) 2025 Indian Journal of Chemistry (IJC) 2025-01-30 2025-01-30 64 1 43 53 10.56042/ijc.v64i1.14056 Synthesis of novel ricinoleic acid-based 1, 2, 3-triazoles and their anticancer activity https://or.niscpr.res.in/index.php/IJC/article/view/14396 <p>A series of novel chiral 1, 4-disubstituted 1<em>H</em>-1, 2, 3-triazole derivatives <strong>8(a-i) </strong>has been accomplished using (<em>Z</em>)-methyl-12-azidooctadec-9-enoate, which is a derivative of castor oil fatty acid ester, methyl ricinoleate. The 1, 2, 3-triazole analogues were synthesized regioselectively by the Cu-catalysed azide-alkyne cycloaddition (CUAAC) <em>via </em>Huisgen “Click Chemistry”. The target 1, 2, 3-triazole derivatives' structure was characterized by FT-IR, <sup>1</sup>HNMR, <sup>13</sup>CNMR, and Mass Spectral Studies. The dipole moment of the triazole derivatives exhibited 4.8-5.6 Debye units, indicating their stability towards different environments. The synthesized compounds <strong>8 (a-i)</strong>&nbsp;were evaluated for their anticancer activity against four different cancer cell lines such as human lung cancer cell line&nbsp;(A549), human cervical cancer cell line (HeLa), human prostate cancer cell line (DU145), and human breast cancer cell line (MDA-MB-231) and doxorubicin was used as a standard reference drug. &nbsp;All the compounds exhibited moderate anticancer activity except compound <strong>8g </strong>bearing phenylalanine against the four cancer cell lines. Among these compounds, <strong>8c, </strong>i.e., valine substituted-1, 2, 3-triazole displayed superior anticancer activity against A549 (<strong>IC</strong><strong><sub>50</sub></strong>, 12.3 ± 0.24µM); DU145 (<strong>IC</strong><strong><sub>50</sub></strong>, 15.6±0.24µM); MDA-MB-231 (<strong>IC</strong><strong><sub>50</sub></strong><sub>,</sub>&nbsp;17.8±0.20µM) cancer cell line compared to the other tested compounds.<strong>&nbsp;</strong>Further, the triazole derivatives were found to be quite safe towards the normal cell, as they did not exhibit any activity towards HLF-Human lung fibroblast.</p> Mohini Y. Kunduru K. R. HariKrishna Madiga Karuna M.S.L. Mallampalli Poornachandra Y. C. Chandrasekhar Sudhakar Podha Copyright (c) 2025 Indian Journal of Chemistry (IJC) 2025-01-30 2025-01-30 64 1 54 67 10.56042/ijc.v64i1.14396 Quinazoline Fused 1,2,4-triazoles: PIDA-Mediated Synthesis, Characterization, Anti-Breast Cancer Agents, ABTS Radical Scavenging Efficacy, Molecular Docking, and DFT Studies https://or.niscpr.res.in/index.php/IJC/article/view/14219 <p>The present work demonstrates the PIDA-mediated mild synthesis of 3-aryl-5-phenyl-[1,2,4] triazolo[4,3-c]quinazolines <strong>5a-5n</strong> through an intramolecular oxidative-cyclization of twelve electronically dissimilar and newly prepared (<em>E</em>)-4-(2-benzylidenehydrazineyl)-2-phenyl- quinazolines <strong>4a-4n </strong>as key precursors. Structural confirmation of quinazoline-hydrazone and triazole has been established based on <sup>1</sup>H &amp; <sup>13</sup>C-NMR, IR, and HRMS data. Antiproliferative activity examination led to the identification of 5-phenyl-3-(2,3,4-trimethoxyphenyl)-[1,2,4] triazolo[4,3-c]quinazoline <strong>(5g) </strong>and 3-(2,3-dichlorophenyl)-5-phenyl-[1,2,4]triazolo[4,3-c] quinazoline <strong>(5j)</strong>, as most active (less than and comparable to standard), which exhibits cytotoxicity with IC<sub>50</sub>&nbsp;value of 1.14 mM and 1.39 mM respectively against MCF-7 cell line. <strong>5g </strong>and <strong>5j</strong> also shows significant potential against MDA-MB231 cell line with IC<sub>50</sub> of 2.79 mM and 1.95 mM respectively. Additionally, molecular modeling studies have been conducted to support the results and to study the binding interaction of the compound <strong>5g</strong> and <strong>5j</strong> with VEGFR-2 kinase enzyme (PDB ID:3U6J). Furthermore, systematically screening of <strong>5a-5n</strong> for ABTS radical scavenging activity, displays that 3-(4-fluorophenyl)-5-phenyl-[1,2,4]triazolo [4,3-c] quinazoline <strong>5h</strong>, has highest antioxidant efficacy, with IC<sub>50</sub> = 11.2 ± 0.14 µg/ml. The antioxidant efficacy of <strong>5a-5n</strong> was also supported by DFT studies.</p> Ravinder Kumar Parul Kaushik Gulshan Kumar Rasdeep Kour Sheikh Showkat Ahmad Dr. Satwinderjeet Kaur Dr. Raj Kamal Copyright (c) 2025 Indian Journal of Chemistry (IJC) 2025-01-30 2025-01-30 64 1 68 84 10.56042/ijc.v64i1.14219 "Structural and Optical Properties of Manganese-Doped Cobalt Thin Films Prepared by Spray Pyrolysis" https://or.niscpr.res.in/index.php/IJC/article/view/14909 <p>This paper presents the deposition of manganese-doped cobalt ferrite (CoMnF) thin films on FTO substrates using spray pyrolysis. Optimization of the crucial growth parameters, along with annealing at 450°C for 2 hours, led to a single-phase cubic spinel structure without any extraneous peaks confirmed by X-ray diffraction. The films had interplanar distances between 4.896 to 1.484 Å, crystallite sizes were small: FWHM: 0.338° to 0.497°, and the lattice constant was 8.418 Å. FTIR identified a peak at 431 cm⁻¹, with implications for the presence of the ferrite phase due to the existence of octahedral metal-oxygen stretching. The UV-Vis spectra revealed strong absorption in 215 nm and 347 nm. The direct bandgap was found to be 5.6 eV. Raman vibrational modes were affected due to Mn doping. These Mn-doped Co-ferrite thin films have properties that are well suited for application in supercapacitors, sensors, and energy storage devices.</p> Amol Mandle Copyright (c) 2025 Indian Journal of Chemistry (IJC) 2025-01-30 2025-01-30 64 1 85 92 10.56042/ijc.v64i1.14909 Electrocatalytic activity of LaCoO3 on Ni-electrode for oxygen evolution reaction in 1M KOH at 25℃ https://or.niscpr.res.in/index.php/IJC/article/view/15027 <p>The alginic acid sol-gel (AA) method was used to synthesize perovskite-type oxide (LaCoO<sub>3</sub>) for the electrocatalysis of water in an alkaline solution. The extra pure nitrate salts of lanthanum, and cobalt and alginic acid were used in this process. The TGA, FT-IR, and XRD techniques established the formation of perovskite-type oxide. The catalytic performance of fabricated oxide electrodes towards the electrochemical formation of oxygen by the splitting of water in an alkaline medium was explored using the Tafel polarization and cyclic voltammetry techniques. Based on the electrochemical investigation, fabricated LaCoO<sub>3</sub>/Ni electrode exhibited comparatively better electrocatalytic activity for the oxygen evolution reaction (OER) in 1M KOH solution due to its higher value of oxide roughness factor (R<sub>F </sub>≈ 16) and with slightly lower Tafel slope (b ≈ 85 mV dec<sup>–1</sup>) than those prepared by the conventional routes. The OER followed a first-order reaction mechanism that occurred by the adsorption of reaction intermediates.</p> Pankaj Chauhan Copyright (c) 2025 Indian Journal of Chemistry (IJC) 2025-01-30 2025-01-30 64 1 93 97 10.56042/ijc.v64i1.15027 Synthesis of a redox-active pyrene-FLFL-dopamine amphiphile and investigation of their self-assembly at different pH leading to microfibrous formation https://or.niscpr.res.in/index.php/IJC/article/view/15086 <p><em>N</em>-(1-((1-((3,4-dihydroxyphenethyl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)-4-(pyren-1-yl)butanamide (Py-F<sub>L</sub>-F<sub>L</sub>-DP) was synthesised using the traditional amide coupling reactions of 1-pyrene butyric acid, boc-l-phenyl alanine, l-phenyl alanine methyl ester and dopamine. Py-F<sub>L</sub>-F<sub>L</sub>-DP shows a pH dependant aggregation between pH 4 and 10 which can be monitored spectroscopically, resulting in a reversible quinol/hydroquinone oxidation – reduction transformation of the dopamine moiety. The photoexcitation of Py-F<sub>L</sub>-F<sub>L</sub>-DP at λ<sub>ex</sub> 345 nm at higher pH preferentially results in AIE photorelaxation mechanism in comparison to thermal relaxation or intramolecular charge transfer (ICT). SEM micrographs show the formation of fibrillar nanostructure with increasing pH specially at pH 10. The CD experiment offered deeper insights into the chirality that developed in the nanofiber self-assemblies at pH levels 7 to 10, which is attributed to the twisted conformations of the pyrene moieties within the self-assembled structure. The unique pH-dependent self-assembly and redox behavior of Py-FL-FL-DP, particularly its reversible optical and structural changes in response to pH variations, make it a promising candidate for real-time pH monitoring in biomedical applications, such as intracellular imaging and the design of controlled drug delivery systems targeting pH-sensitive environments.</p> Shailesh S. Birajdar Kerba More Prabhat K. Singh Avinash L. Puyad Mohammad Al Kobaisi Sheshanath Bhosale Sidhanath Vishwanath Bhosale Copyright (c) 2025 Indian Journal of Chemistry (IJC) 2025-01-30 2025-01-30 64 1 98 105 10.56042/ijc.v64i1.15086 Phytochemical investigation of Pelargonium graveolens and isolation of flavonol derivative https://or.niscpr.res.in/index.php/IJC/article/view/13707 <p>The compound 5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-4<em>H</em>-chromen-4-one (flavonol derivative) has been isolated from <em>Pelargonium graveolens</em> for the first time. The isolated bio-active compound was obtained from the chloroform extract of the <em>Pelargonium</em>. The compound was analysed by spectral data and confirmed by X-ray crystallography analysis.&nbsp; &nbsp;&nbsp;</p> Laxmi Chaitanya Neeladri Sridhar Balasubramanian China Raju Bhimapaka Copyright (c) 2025 Indian Journal of Chemistry (IJC) 2025-01-30 2025-01-30 64 1 106 108 10.56042/ijc.v64i1.13707