Asian Journal of Chemistry, a Multidisciplinary Chemistry Journal is a Peer Reviewed International Journal publishes from India. ISSN: 0975-427X (Online) |ISSN: 0970-7077 (Print) |CODEN: AJCHEW Prof. (Dr.) R. K. AGARWAL Editor-in-Chief Dr. HIMANSHU AGARWAL Executive Editor Dr. Bimal K. Banik Associate Editor
Polymer Immobilised Mn(II) Complex as Efficient Catalyst for High-Value Fuel Production from Hydrodeoxygenation of Bisphenol A
A polymer-supported manganese(II) complex, PS-[Mn(L-H)(Cl)2], along with its unsupported analogue [Mn(L-H2)2(Cl)2], was synthesised and systematically characterised using elemental analysis, FT-IR, UV-Vis diffuse reflectance spectroscopy, EDAX, magnetic susceptibility measurements and thermogravimetric analysis. Spectroscopic and magnetic data indicated a tetrahedral geometry for the polymer-supported complex and an octahedral environment for the unsupported analogue, with the ligand coordinating in a bidentate chelating mode. The catalytic performance of both complexes was evaluated in the selective hydrodeoxygenation of substituted phenols, with 4,4'-(propane-2,2-diyl)diphenol (BPA) employed as a model substrate. Reaction parameters such as solvent, temperature, catalyst loading, hydrogen pressure, reaction time and substrate concentration were systematically optimised. The polymer-supported catalyst exhibited superior activity, achieving up to 99% BPA conversion with high selectivity toward propane-2,2-diyldicyclohexane under mild conditions, while the unsupported complex showed lower activity and poor recyclability. The enhanced catalytic performance is attributed to effective metal immobilisation, improved accessibility of active sites and the heterogeneous nature of the supported system. Catalyst reusability studies confirmed stable performance over multiple cycles with negligible manganese leaching, supported by ICP-OES analysis and hot filtration tests. A plausible reaction pathway for BPA hydrodeoxygenation was proposed based on control experiments and product distribution.
Copyright (c) 2026 Priya Vimal, V. Gayathri https://creativecommons.org/licenses/by/4.0
Effect of Green Silver Nanoparticle Synthesised by W. coagulans on Carbapenamse Resistant Gene Down Regulation Antibacterial Efficacy
The present study investigates the phytochemical profile, phylogenetic relationships and antibacterial activity of Withania coagulans, along with the green synthesis of silver nanoparticles (AgNPs) and their effects on cytotoxicity and the downregulation of pathogenicity-related genes. Phytochemicals were extracted using Soxhlet extraction and AgNPs were synthesized via a one-step green synthesis approach. The synthesized nanoparticles were characterized using UV-Visible, FTIR and TEM techniques. The antibacterial efficacy of AgNPs against imipenem-resistant pathogens was evaluated, followed by cytotoxicity assessment. The results revealed that methanolic and chloroform extracts were rich in bioactive phytochemicals, which likely contributed to the enhanced antibacterial activity and biocompatibility of the synthesized AgNPs. These extracts also showed notable antibacterial activity at 100 µg/mL, producing inhibition zones of 13-22 mm especially against Klebsiella pneumoniae and Streptococcus pneumoniae. UV-Visible spectrophotometry confirmed characteristic peak at 210-230 nm attributed by phytochemical reducing agents. Size of AgNP were 20 to 95 nm and spherical in nature. The biosynthesised AgNPs demonstrated strong antibacterial effects, with inhibition zones of 17-21 mm across all tested clinical isolates. The qPCR analysis further showed substantial down-regulation (70-95%) of resistance associated genes, with fold-change values ranging from 0.045 to 0.51, indicating potent transcriptional suppression. Cytotoxicity assessment on A549 cells showed mild toxicity, maintaining high viability (91.8-95%) up to 100 µg/mL with preserved cell morphology confirming the biocompatibility of the nanoparticles. The findings establish W. coagulans as a genetically authenticated and phytochemically rich source for biosynthesised AgNPs with significant antibacterial and gene inhibitory activities and limited cytotoxicity, supporting its potential for biomedical applications.
Copyright (c) 2026 J. Ishwarya, D. Sangeetha https://creativecommons.org/licenses/by/4.0
Evaluation of Antioxidant Activities of Novel Tetralone-Derived Triazoles Derivatives: Synthesis and in silico Studies
In present study, twelve novel tetralone-linked triazole derivatives (6a-l) were synthesised and structurally characterised using 1H NMR, 13C NMR and mass spectrometric techniques. The antioxidant potential of the synthesised compounds was evaluated through 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging and lipid peroxidation (LPO) inhibition assays. Among the tested derivatives, compounds 6e, 6h, 6d and 6i consistently exhibited the strongest antioxidant activities. In the DPPH assay, compound 6e demonstrated the highest radical-scavenging capacity with 79.9% inhibition at 120 µM, followed by 6h (64.3%), 6d (56.18%) and 6i (51.8%), reflecting a clear dose-dependent response. These findings were further supported by the LPO assay, where the same four derivatives showed significant protection against oxidative damage to lipid membranes. At 120 µM, compound 6e displayed the most potent activity with showing 79.9% inhibition, while 6h, 6d and 6i exhibited 64.3%, 60.1% and 52.12% inhibition, respectively. The corresponding IC50 values (24-30 µM) further confirmed their strong ability to suppress the chain-propagation phase of lipid peroxidation. Moreover, the molecular docking studies were performed to investigate the interactions of the synthesised derivatives with the oxidoreductase protein (PDB ID: 3NM8) and their pharmacokinetic profiles were predicted using in silico absorption, distribution, metabolism, excretion and toxicity (ADMET) analysis.
Copyright (c) 2026 Pushpalatha Vodgalayya, A.D. Sathisha, B.B. Prabhudeva, H.R. Shashank Gowda, S. Nydile, K.M. Anil Kumar, Y.B. Basavaraju https://creativecommons.org/licenses/by/4.0
Synthesis, Characterisation, Molecular Docking and Biological Response of Some New Xylenol Analogues
Owing to the versatile biochemical properties of xylenols, the current study was intended to synthesize and characterize some new xylenol analogues (NXAs). The NXAs were evaluated for in vitro inhibitory activity against osteomyelitis triggering pathogens (S. aureus and E. coli), followed by in silico AutoDock studies against their key proteins. The NXAs synthesis involved substituted xylenol (1) esterification, hydrazination and subsequent treatment with 4-aminoacetophenone to yield intermediate N-(1-(4-aminophenyl)ethylidene)-2-(2,3-dimethyl-phenoxy)acetohydrazide (4), which was further treated with different aromatic aldehydes to yield N-(1-(4-((substituted benzylidene)-amino)phenyl)ethylidene)-2-(2,3-dimethylphenoxy)acetohydrazide (5a-g) following condensation reaction. The synthesised NXAs were characterised using ATR-IR, 1H NMR, 13C NMR and mass spectrometry. The characterised NXAs were further evaluated for their in vitro inhibitory activity against the osteomyelitis-triggering pathogens S. aureus and E. coli, followed by in silico binding affinity studies using AutoDock against their respective key proteins, DNA gyrase B (PDB ID: 4URM) and UDP-N-acetylglucosamine enolpyruvyl transferase (PDB ID: 1UAE). Present investigation concludes synthesis and characterisation success of NXAs and high inhibitory potential against osteomyelitis triggering pathogens and binding affinity with their respective proteins 4URM and 1UAE. Present study recommends that in future the synthesised NXAs of this study should be further subjected to preclinical evaluation for osteomyelitis treatment.
Copyright (c) 2026 A. Sarah Grace, L. Thangavelu, M. Rubasrigayathri, T. Vijayalakshmi, S.A. Sri Harish, T.A. Shireen Farzhana, M. Pavithra, S. Fuloria https://creativecommons.org/licenses/by/4.0
Design, Synthesis, Characterization and Molecular Docking Evaluation of Dual-Imino Benzopyran Analogues as Potential VEGFR2 and EGFR Inhibitors for Breast Cancer Therapy
The side effects associated with currently available chemotherapeutics for breast cancer treatments, intended present study to perform synthesis, characterization and molecular docking of novel benzopyrone analogues (NBPAs) against VEGFR2 (PDB: 6GQO) and EGFR (PDB: 3W32). The study involved the synthesis of some novel benzopyran analogues (NBPAs) by first treating 4-aminoacetophenone with a hydrazide derivative 5 of substituted benzopyrone (1), followed by treatment with different aromatic aldehydes to offer NBPAs (6a-e). NBPAs were characterized using ATR-IR, NMR (1H & 13C) and mass spectrometric analysis. The NBPAs were also subjected to molecular docking studies (using AutoDock 4.2) against VEGFR2 and EGFR. The results of the synthesis experiment and characterization study revealed successful synthesis of NBPAs and their structural elucidation. The docking study results also revealed NBPAs exhibit good binding affinity with 6GQO and 3W32. NBPAs exhibits good binding affinity against the targeted proteins 6GQO and 3W32. Present study concludes that synthesized novel NBPAs to exhibit high anticancer potential; however additional pre-clinical investigations are essential to support their clinical importance.
Copyright (c) 2025 Y. Manogaran, S. Fuloria, S. Karupiah, V. Ravichandran, V. Balakrishnan, N.K. Fuloria https://creativecommons.org/licenses/by/4.0
Synthesis, Characterization, Molecular Docking, Cell Viability and Biological Activity of New Cresol Analogues against Monilial Vulvovaginitis Triggering Pathogen
High biological potential of existing cresols and azomethine scaffolds considers them as promising leads for antimicrobial therapy, however the development of resistance and side effects limits their application in treatment of monilial vulvovaginitis. In present study, new cresols derivatives (NCDs) were designed, synthesized and characterized using ATR-IR, 1H/13C NMR and direct-mass spectrometry. All the synthesized were initially screened through molecular docking against C. albicans CYP51 (PDB ID: 5TZ1) and S. aureus DNA Gyrase B protein (PDB ID: 4URM). Study involved molecular docking of NCDs against 5TZ1 and 4URM proteins of C. albicans and S. aureus respectively, followed by synthesis of NCDs via imination and Schiff reaction of hydrazide analogue of cresol, in-vitro antibacterial and antifungal activity using disk diffusion method and cytotoxicity evaluation towards HEK-293 cells with the MTT assay. Novel NCDs exhibited high docking score against 5TZ1 and 4URM, high in vitro antibacterial and antifungal activity against C. albicans and S. aureus, and minimal cytotoxicity at 7.81 µg/mL. Overall, the study presents chemically validated and biologically promising NBA candidates for future development as peri-implantitis inhibitors. Based on the experimental results, this study concludes successful synthesis of NCDs as antibacterial and antifungal activity with negligible toxicity. This research also proposed that, these NCDs in future needs further evaluation for preclinical and clinical significance in monilial vulvovaginitis treatment.
Copyright (c) 2025 N.K. Fuloria, L. Thangavelu, P. Kishore, S. Faridha, N. Sundaresan, T. Bhuvaneshwari, K. Arthi, S. Fuloria https://creativecommons.org/licenses/by/4.0
Synthesis and Evaluation of (2,5-Dimethylthiophen-3-yl)pyrimidin-2-amine Derivatives as Antidepressants by In silico and In vivo Methods
The present study involves the design, synthesis, in silico evaluation and biological assessment of a new series of (2,5-dimethylthiophen-3-yl)pyrimidin-2-amine derivatives (4a7-4h7) as potential antidepressant agents. The synthesis followed a two-step route first, (2,5-dimethyl-thiophen-3-yl)prop-2-en-1-one derivatives (4a-7) were synthesized via Claisen–Schmidt condensation, followed by cyclization with guanidine to obtain the target pyrimidin-2-amine derivatives (4a7-4h7). The designed molecules were evaluated using Swiss-ADME,Molinspiration, Protox-II and SwissTargetPrediction to predict drug-likeness, ADME properties, toxicity and target profiles. All compounds satisfied Lipinski’s rule of five and showed favourable pharmacokinetic and safety profiles. Molecular docking against the serotonin transporter (SERT, PDB ID: 1KUV) revealed that compounds 4e7 (Glide score -7.8) and 4h7 (Glide score -8.0) exhibited the strongest binding affinities, outperforming the reference drug imipramine. Molecular dynamics simulations using GROMACS further confirmed the stability of ligand–protein complexes, with compound 4h7 displaying excellent structural stability throughout the simulation. The synthesized derivatives were characterized by IR, 1H NMR, 13C NMR and mass spectroscopy. Their antidepressant potential was evaluated using the Forced Swim Test (FST) and Tail Suspension Test (TST) in mice, where compounds 4e7 and 4h7 significantly reduced immobility time, showing activity comparable to imipramine. Among all tested compounds, compound 4h7 demonstrated the highest level of potency.
Copyright (c) 2025 Palupanuri Naveena, Konda Swathi https://creativecommons.org/licenses/by/4.0
Comparative Studies of Chemically and Green Synthesized CoFe2O4, Ni0.5Co0.5Fe2O4, Li0.5Co0.75Fe2O4 Nanoparticles via Sol-Gel Method for Electrical and Antibacterial Applications
This study investigates the electrical and antibacterial properties of cobalt ferrite (CoFe2O4) nickel-doped cobalt ferrite (NixCo1-xFe2O4) and lithium-doped cobalt ferrite (LixCo1-x/2Fe2O4) where x = 0.5 synthesized via sol-gel technique using Allium sativum extract (green route) and citric acid (chemical route). The synthesized nanoparticles were characterized by XRD, SEM, EDS and FTIR to analyze their structural and morphological properties. The XRD analysis confirmed that Ni0.5Co0.5Fe2O4, Li0.5Co0.75Fe2O4 and CoFe2O4 compounds are well-crystallized and adopt a cubic spinel structure. The SEM images show distinct morphological changes between the variation of materials synthesis namely, chemically synthesized nanoparticles exhibit well-structured cubic phase, whereas green-synthesized nanoparticles display encapsulated and some irregular morphologies, probably due to the capping effect of the bioactive compound A. sativum extract used as chelating agent. The study on EDS confirmed the presence of all expected constituent elements in their stoichiometric ratios, verifying the successful synthesis of ferrite nanoparticles in the pure form. The analysis of synthesized samples through impedance spectroscopy confirmed that the green synthesis has lower bulk resistance and enhanced electrical conductivity comparative to chemically synthesized compounds. Among all compositions, Ni-doped cobalt ferrite (sol-gel route) exhibited the highest electrical conductivity, while green-synthesized Li0.5Co0.75Fe2O4 showed promising electrochemical behaviour, indicating its potential as an efficient anode material for lithium-ion batteries. Moreover, the antibacterial examines against both Gram-positive and Gram-negative bacterial strains confirmed that the green-synthesized nanoparticles demonstrate a significant and greater antimicrobial activity across all compounds. Therefore, this study highlights the benefits of plant-mediated green synthesis as a sustainable and effective alternative to conventional sol-gel techniques for fabricating multifunctional ferrite nanomaterials with improved electrical and antibacterial routine.
Copyright (c) 2025 G. Gowri Shanmugapriya, C. Yogambal, S. Umamaheswari, R. Rajikha, S. Analisa, C. Subramaniyan, V. Sathana https://creativecommons.org/licenses/by/4.0
Synthesis and Evaluation of Novel 5-{[2-Cyano-3-(substituted phenyl)prop-2-enoyl]amino}-2-hydroxy Benzoic Acid
5-Aminosalicylic acid (5-ASA), also known as mesalamine is extensively used for the treatment of inflammatory conditions like ulcerative colitis (UC), inflammatory bowel disease (IBD) and colorectal cancer. Hence, the current work aimed at the synthesis of some novel derivatives of 5-ASA involving cyanoacetylation and subsequent Knoevenagel condensation reaction. The compounds were then characterized using physical and spectral data and screened for in vitro antioxidant and anti-inflammatory activities. The compounds showed promising in vitro antioxidant and anti-inflammatory activities among which compound 4e (3,4-OCH3) exhibited superior dual antioxidant activity in DPPH and nitric oxide assays greater than ascorbic acid and 5-ASA. Meanwhile, compound 4l (-Cl) showed the strongest inhibition of protein denaturation and 4m (-F) exhibited highest protection of HRBC membrane. Further, PASS analysis identified 4j (4-CH(CH3)2), 4c (3,4-OH) and 4m (4-F) as promising anti-inflammatory candidates with favourable safety profiles when compared to 5-ASA. Overall, these derivatives showed good to moderate biological activity, suggesting for further evaluation under inflammatory conditions.
Copyright (c) 2025 Ch. Soujanya, K. Madhavi https://creativecommons.org/licenses/by/4.0
Thermo-Electrical Performance of Ferrite-Doped Chitosan Nanocomposites Modified with Graphene Oxide
The growing demand for renewable, multifunctional materials has spurred interest in nanocomposites for energy, biomedical and environmental uses. In this study, magnetic chitosan (MCS) and magnetic chitosan–graphene oxide (MCS/GO) nanocomposites were synthesized via a simple coprecipitation method. The structural, thermal and electrochemical properties were analyzed using XRD, FESEM-EDAX, TGA and impedance spectroscopy. XRD confirmed nanocrystalline phases (7.6 nm) with uniform magnetite dispersion in the polymer–GO matrix. TGA showed a residual mass of ~88% at 800 ºC for MCS/GO, indicating high thermal stability. Impedance analysis showed easier charge movement through the bulk at higher frequencies; both resistance and reactance decreased with temperature, confirming thermally activated transport. The activation energy (~168 meV) indicates efficient GO-assisted carrier hopping, making MCS/GO nanocomposites promising for energy-efficient sensors, solid-state batteries and thermally stable electronic devices.
Copyright (c) 2025 Sanjeeta Rani, Priti Goyal, Laishram Saya, Sunita Hooda, Manisha Verma https://creativecommons.org/licenses/by/4.0
Synthesis and Antibacterial Evaluation of Novel Cyanoacrylamide Derivatives of 4-Aminosalicylic Acid
In this study, novel 4-[2-cyano-3-(substituted phenyl)acrylamido]-2-hydroxybenzoic acid derivatives were synthesized starting from 4-(2-cyanoacetamido)-2-hydroxybenzoic acid. The latter was obtained through the cyanoacetylation of 4-aminosalicylic acid, leading to the formation of 4-(2-cyanoacetamido)-2-hydroxybenzoic acid as a key intermediate. The Knoevenagel condensation of the active methylene group of 4-(2-cyanoacetamido)-2-hydroxybenzoic acid was done with substituted benzaldehydes in toluene by using piperidine and glacial acetic acid as catalyzing agents. The procedure mentioned above was used to synthesize fifteen final compounds (5a-o). All the synthesized compounds were characterized by physico-chemical and spectral data. The synthesized compounds were tested for in vitro antibacterial activity by the cup-plate technique, using 0.1 mL of test solution at a concentration of 1000 µg/mL, against two Gram-positive organisms (Bacillus subtilis, Staphylococcus aureus) and two Gram-negative organisms (Escherichia coli, Proteus vulgaris). The outcomes of antibacterial activity were then compared to those obtained with the standard drug streptomycin and 4-aminosalicylic acid. Among all, the compounds 5l and 5h exhibited good antibacterial activity when compared with the standard drug.
Copyright (c) 2025 D. Sherisha Bhavani, K. Madhavi, K. Swathi https://creativecommons.org/licenses/by/4.0
Enhanced Photocatalytic Degradation of Eosin Yellow Dye using Fe3O4 Nanoparticles from S. prostrata Leaf Extract and their Cytotoxicity against MCF-7 Cell Line
In this study, superparamagnetic iron oxide nanoparticles (SPR-Fe3O4 NPs) were successfully synthesized via green route using Suaeda prostrata leaf extract as a natural reducing and stabilizing agent. The phytochemicals in the extract facilitated the formation of uniformly distributed, crystalline nanoparticles under eco-friendly conditions. Comprehensive characterization using XRD, FTIR, UV-Vis, SEM-EDX, HRTEM, XPS and VSM techniques confirmed the structural integrity, surface morphology, elemental composition, magnetic properties and functional groups involved in the bioreduction process. The average crystalline size of SPR-Fe3O4 NPs is 21.3 nm, exhibits superparamagnetic nature (14999.92 Oe) and characteristic type IV isotherm with a prominent H3-type hysteresis loop suggests monolayer-multilayer adsorption. The SPR-Fe3O4 NPs exhibited excellent photocatalytic performance in the degradation of eosin yellow (EY) dye under visible light, with degradation efficiency influenced by catalyst dosage (50 mg) and dye concentration (10 mg/L) in 80 min. Kinetic studies indicated a pseudo-first-order reaction mechanism. Notably, the catalyst maintained over 85% degradation efficiency after five consecutive cycles, with minimal structural changes as confirmed by XRD analysis, demonstrating outstanding reusability and stability. These results confirm that SPR-Fe3O4 NPs exhibit concentration-dependent cytotoxic activity against MCF-7 cells (128.67 mean), making them potentially useful in cancer nanomedicine applications, particularly in targeted therapy or drug delivery systems.
Copyright (c) 2025 Muripinti Balakrishna, Gopi Mamidi, Sathish Mohan Botsa, G. Pavan Kumar https://creativecommons.org/licenses/by/4.0
Synthesis, Characterization and in silico Evaluations of Novel Chalcone Derivatives Containing Oxindole Ring
In this study, a new series of chalcone derivatives containing an oxindole moiety to evaluate their physico-chemical properties, pharmacokinetic profiles and in silico biological potential. The designed derivatives 3a-d were obtained via a condensation reaction between 5-halo-isatin and substituted acetophenones using sodium ethoxide under moderate reaction conditions. The structures of the synthesized chalcone derivatives were confirmed using 1H NMR, 13C NMR and HRMS. The in silico evaluations were performed using established database platforms, including SwissADME and admetLAB 3.0, to assess their absorption, distribution, metabolism, excretion and toxicity (ADMET) properties. All the compounds exhibited favourable drug-likeness, low predicted toxicity and compliance with Lipinski’s rule of five, suggesting their potential as orally active therapeutic agents. Molecular docking studies were also carried out to assess the binding affinities of compounds 3a-d against cancer-related target proteins such as PDGFRα (PDB ID: 9GZH) and VEGFR2 (PDB ID: 4ASD). Compounds 3b and 3d demonstrated the most promising binding energies (–11.973 and –7.726 kcal/mol, respectively), outperforming the reference drug, sunitinib. The docking results revealed key hydrogen bonding and hydrophobic interactions, offering insights into the stability of the compounds within the active sites of the target proteins.
Copyright (c) 2025 Atif Husain, Waseem Ahmad Ansari, Abdul Rahman Khan, Mohd Arsh Khan, Malik Nasibullah https://creativecommons.org/licenses/by/4.0
Polymers and Functionalized Polymer Catalysts in Organic Synthesis: A Mini Review
Polymeric materials, especially poly(ethylene glycol) (PEG)-based systems, play an essential role in biomedical applications due to their biocompatibility and tunable surface properties, which improve blood compatibility and reduce biofouling. Beyond biomedical uses, PEG and PEG-supported catalysts have become valuable in organic synthesis because of their hydrophilicity, broad solubility, low toxicity and ease of functionalization, aligning well with green chemistry principles. This review summarizes key PEG-assisted synthetic methodologies for organophosphorus compounds including dialkyl/aryl phosphonates, α-amino phosphonates and α-hydroxy phosphonates as well as PEG-catalyzed routes for diverse heterocyclic frameworks. These include coumarins, acylals, indazole-triones, dihydropyrimidinones, oxadiazoles, thiadiazoles, pyrroles, bis(indolyl)alkanes, bis(pyrazolyl)methanes and xanthenes. PEG-based protocols typically offer mild conditions, shorter reaction times, high yields and simplified purification. Overall, incorporating Brønsted or Lewis acidic moieties into PEG matrices provides efficient, recyclable and environmentally benign catalytic systems that support sustainable organic synthesis and combinatorial chemistry.
Copyright (c) 2025 Babu Pejjai, M. Varalakshmi, P. Sreevani, K. Jamuna, Reddi Mohan Naidu Kalla https://creativecommons.org/licenses/by/4.0
Cationic Iron Half-Sandwich Complexes of Aminopyridines: Synthesis and Characterisation
The reaction of [(η5-C5H5)Fe(CO)2]+, with the aminopyridine ligands lead to formation of cationic organometallic complexes of the general formula [(η5-C5H5)Fe(CO)2L]+ (where L = 2-Apy, 3-Apy, 4-Apy and Apy = aminopyridine). These ligands have the ability to coordinate to a metal center in monodentate fashion via the pyridine ring or amine nitrogen atoms, can form chelate complexes with one metal center or bridge two metal ions. Spectroscopic data (FTIR, 1H and 13C NMR and elemental analysis) collected for the five metal complexes is consistent with monodenate coordination mode through the pyridyl nitrogen in complexes 2, 3 and 4 atoms and amine nitrogen in complexes 1 and 4.
Copyright (c) 2025 Kingsley Michieka https://creativecommons.org/licenses/by/4.0
From Equilibrium to Emergence: The Physical Foundations of Chemical Order – A Conceptual Framework Linking Thermodynamics, Quantum Mechanics and Systems Chemistry
Chemistry has evolved from empirical pattern recognition to a unified, physics-informed science governed by universal principles. This perspective traces the conceptual progression of chemical thought from Mendeleev’s periodic classification to thermodynamics, quantum mechanics and the emerging systems view of self-organisation and complexity. By dividing this trajectory into four historical phases viz. (i) thermodynamic and kinetic universality, (ii) nonideal solution theory and ionic interactions, (iii) quantum-mechanical interpretation of matter and bonding, and (iv) self-organisation in far-from-equilibrium systems. Each phase contributed to a deeper understanding of matter-energy relationships and strengthened the theoretical foundations of chemistry. Emphasis is placed on the interplay between the macroscopic laws and microscopic models, with recurring themes of order, symmetry and energy flow serving as unifying principles across both equilibrium and non-equilibrium phenomena. This conceptual synthesis illustrates the natural convergence of thermodynamics, statistical mechanics, and quantum theory, giving rise to systems chemistry and the modern study of emergent behaviour. Beyond its historical narrative, the work asserts that an analysis of chemistry through its evolving paradigms reveals a coherent scientific continuum integrating atomic theory, information and complexity, thereby positioning chemistry as a central discipline for elucidating organisational principles in natural systems.
Copyright (c) 2026 Dr. Harasit Kumar Mandal Harasit https://creativecommons.org/licenses/by/4.0
HR-LCMS based Metabolic Profiling, in vitro Analysis and Computational Insight of Tabernaemontana divaricata Hydroalcoholic Extract: A Multitargeted Approach to Combat Asthma
Tabernaemontana divaricata (L.) is a prevalent horticultural species in Southeast Asia, also occurring in Australia, tropical Asia and Polynesia shows a diverse range of activities. To explore the molecular mechanisms and targets for prospective and effective therapeutic approaches, molecular docking enables the identification of the most promising targets in asthma. The present study investigates the multitargeted anti-asthmatic potential of phytocompounds isolated from T. divaricata by docking analysis. The hydroalcoholic extract of T. divaricata (TDHE) was obtained using the Soxhlet extraction and analysed for antiasthmatic activity. Chemical profiling of the extract was carried out using HR LC-MS/MS, which revealed the presence of 19 distinct phytocompounds. All the isolated 19 phytocompounds were docked against prime modulators in asthma such as histamine H1 (PDB: 3RZE), human interleukin-6 (PDB: 1ALU), IL4-IL4R-IL13Ra ternary complex (PDB: 3BPN), IL-25-IL-17RB-IL-17RA ternary complex (PDB: 7UWL), as well as IL-13 (PDB: 5KNH) receptors. The results demonstrated that TDHE possesses significant antiasthmatic potential, primarily through anti-inflammatory and antihistaminic mechanisms. Among the screened phytocompounds, kaempferol-3-O-rutinoside, 8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one and selaginpulvilin T exhibited strong binding affinities across all targeted receptors. In addition, ADMET profiling of the identified compounds supported their favourable pharmacokinetic and safety profiles. This study highlights the medicinal potential of T. divaricata phytocompounds as alternative or adjunctive therapeutic agents for asthma, offering a multitargeted strategy to modulate immune responses and alleviate disease symptoms. Future investigations should focus on clinical evaluation of the isolated phytocompounds to validate their efficacy and safety in asthma management.
Copyright (c) 2026 Uma Mali, Rita Charde https://creativecommons.org/licenses/by/4.0
Study on Adsorption Efficiency of Low-Cost Hemp Seed Oil Cake (Cannabis sativa L.) as Adsorbent for the Removal of Reactive Black 5 Dye from Aqueous Solution
Driven by the need for sustainable and economical water treatment solutions, this study explores the use of agricultural byproduct adsorbents, specifically hemp seed oil cake (HSOC), for the removal of reactive black 5 (RB5) dye. Batch experiments identified the ideal conditions for the adsorption process, resulting in a maximum removal efficiency of 99.94%. The process, identified as spontaneous and exothermic through thermodynamic analysis, was most effective under the following conditions: an initial RB5 dye concentration of 10 mg/L, 1.5 g of HSOC adsorbent, a pH of 4 (acidic condition), 45 min of contact time, 100 rpm agitation and a temperature of 50 ºC. These results collectively affirm HSOC’s promise as a highly efficient, bio-based material for the remediation of dye-contaminated water.
Copyright (c) 2026 Türkan Börklü Budak, Ms. https://creativecommons.org/licenses/by/4.0
GC-MS Profiling of Phytocompounds in White Pumpkin Seed Extract, Pharmacokinetic and Toxicity Properties by ADME/Tox Analysis
White pumpkin (Benincasa hispida) seeds contain diverse phytocompounds with medicinal relevance. This study profiled metabolites in the methanolic seed extract by gas chromatography–mass spectrometry (GC-MS) and assessed pharmacokinetic and toxicity properties using in silico ADME/Tox tools. Twenty-one phytocompounds were identified, conquered by fatty-acid esters and phytosterols; the most abundant were 9,12-octadecadienoic acid, methyl ester (20.9%) and γ-sitosterol (14.0%). Predicted drug-likeness and oral developability were generally favourable for the fatty-acid esters (high gastrointestinal absorption, limited safety liabilities), whereas sterols showed lower gastrointestinal absorption but acceptable toxicity signals.
Copyright (c) 2026 Ranganathan T, Balaji Raju https://creativecommons.org/licenses/by/4.0
Probing the Effect of Adulterants on the UV-Visible Absorption Behaviour of Fruit Extracts
The effect of adulterants on the UV-visible absorption behaviour of pomegranate and orange fruit extracts has been investigated. It was observed that adulterated fruit extracts exhibited significant changes in their peak absorption wavelengths and intensities. The intensity of the characteristic absorption peak of the pomegranate extract was observed to increase almost linearly with the mixing proportion of apple extract. However, the two characteristic absorption peaks of pomegranate exhibited opposite trend: the peak at lower (higher) wavelength side was increased (decreased) on increasing the mixing proportion of apple extract. The orange extract when adulterated by the extract of sweet lime, the change in its UV-visible profile was appeared weaker in comparison to that of pomegranate and apple mixtures. Prominently, the UV-visible absorption-based distinction has been observed to be significantly affected by the proportions of water content present in the fruit extracts. On changing the concentration of water content, remarkable changes in the intensity/peak positions of UV-visible absorption of fruit extracts were observed. The present results would be helpful in the estimation of adulteration in the edible horticultural extracts for quality assessments.
Copyright (c) 2026 Yogita Sagar, Dharmendra Singh, Amit Chaudhary, Ajay Kumar https://creativecommons.org/licenses/by/4.0
Emerging Approaches in Membrane Preparation from Phase Separation to 3D Printing: A Mini Review
Membrane technologies are receiving increasing attention as effective solutions to global challenges such as water treatment, energy efficiency and environmental protection. This mini-review summarizes advances in polymeric materials and membrane fabrication methods. A wide variety of polymeric and non-polymeric materials, ranging from natural clays to synthetic polymers like polysulfone, are used to fabricate membranes for applications including reverse osmosis and ceramic separations. Fabrication techniques such as non-solvent induced phase separation (NIPS), thermally induced phase separation (TIPS), vapour-induced phase separation (VIPS), and liquid-induced phase separation (LIPS) enable the production of microporous membranes, while electrospinning is employed to create ultrathin fibrous structures. In addition, emerging 3D printing technologies allow precise control over membrane architecture, including pore size and porosity, supporting the development of next-generation membrane systems.
Copyright (c) 2026 Chitrakara Hegde, Ms., Mrs https://creativecommons.org/licenses/by/4.0
Design, X-Ray Diffraction and in silico Analysis of Schiff Base Targeting HIV Reverse Transcriptase and Bacterial DNA Gyrase
A green, catalyst-free synthesis yielded a new Schiff base, (E)-2-(((4-chlorophenyl)imino)methyl)-6-methoxyphenol, as orange single crystals suitable for X-ray diffraction. The compound crystallised in an orthorhombic lattice (space group P212121), with a robust framework stabilised by intramolecular O–H···N hydrogen bonding and extended C–H···O/Cl contacts. Molecular docking revealed strong affinities toward HIV-1 reverse transcriptase (-8.4 kcal/mol) and bacterial DNA gyrase B (-7.1 kcal/mol), dominated by π–π stacking and hydrophobic interactions. Remarkably, even at low concentrations (50 µg mL–1), the Schiff base displayed significant antibacterial efficacy against Staphylococcus aureus (11.35 ± 0.21 mm) and Escherichia coli (13.35 ± 0.21 mm), with higher inhibition zones than gentamicin at elevated doses. Its high gastrointestinal absorption, blood-brain barrier permeability and low predicted toxicity further endorse its drug-likeness. The combination of crystal stability, low-dose antibacterial efficiency and favourable docking profile identifies this Schiff base as a structurally and pharmacologically valuable scaffold for multifunctional antimicrobial development.
Copyright (c) 2026 Pradeepalakshmi Mathiazhagan, Valarmathy Govindaraj, Subramanian Ramasamy https://creativecommons.org/licenses/by/4.0
Development and Validation of Sensitive, Specific and Stability-Indicating LC-MS/MS Method for Simultaneous Quantification of Metformin and Becalutamide in Human Plasma
Metformin, an oral anti-hyperglycaemic drug belongs to the biguanide class and is traditionally known as an insulin sensitizer which lowers the blood glucose levels by activating AMPK (adenosine monophosphate protein kinase). Metformin has shown anti-neoplastic effects in various tumour models, including prostate, ovarian, breast, colorectal and endometrial cancers, by activating AMPK, which in turn blocks the mTOR/S6 kinase pathway and inhibits insulin/insulin-like growth factor (IGF)-mediated cellular proliferation. Bicalutamide, is a non-steroidal anti-androgen class agent, binds to androgen receptors, thus blocking the effects of androgenic hormones such as testosterone and dihydrotestosterone. Previous reports on in vivo and in vitro studies suggests the combination of metformin and biclutamide dramatically decreases prostate cancer cell proliferation more than either drug alone. This work was undertaken to examine the effect of metformin on bicalutamide pharmacokinetic parameters, which may further aid in dose adjustment when administered concurrently to treat prostate cancer. So, for the simultaneous quantitation of metformin and becalutamide in spiked human plasma by LC-MS/MS method was used. The preconcentration of the analyte was done using Protein precipitation using acetonitrile. Separations were done on Agilent 1290 infinity II LC system paired with an Agilent 6470 triple quadrupole mass spectrometer with positive and negative ionization modes. The mobile phase comprised 0.1% acetic acid in MilliQ water as solvent A and 100% methanol as solvent B with gradient flow at 0. 6 mL/min. column, column oven and degasser with a Zorbax Eclipse plus C8 column (4.6 × 100 mm, 3.5 µm) was utilized. The retention times for metformin, bicalutamide and the IS (propranolol and tolbutamide) were 3.6 min, 4.7 min, 5.9 min and 6.1 min, respectively. For the samples, subsequent Q1/Q3 transitions: bicalutamide, ESI– m/z 427.2 > 184.5 (10 eV); metformin, ESI+ m/z 130.10 > 60.2 (12 eV); tolbutamide, ESI– m/z 269.09 > 170 (16 eV); and propranolol, ESI+ m/z 260.2 > 183.0 (32 eV). Data acquisition and instrument control were operated with Mass Hunter workstation (version 10.1). The established method was validated by following USFDA bioanalytical guidelines, Linear regression equations for metformin and biclutamide were 0.0822x + 0.00848 and 0.09588 x + 0.02635, respectively, with (1/x) weighting factor, the regression coefficients for metformin and biclutamide are 0.9963 and 0.9971, respectively. Mean extraction recoveries for metformin was 85.04% and for biclutamide was 86.23% all QCs. Solifenacin’s stability in plasma was confirmed through rigorous testing, including bench-top exposure (17 h), injector residence, six freeze-defrost cycles and long-term storage at –20 ± 5 ºC for over 7 days. The compound exhibited consistent integrity under all conditions. The analytical method underwent full validation and met qualification standards, supporting its reliability for routine bioanalysis and pharmacokinetic profiling in biological matrices.
Copyright (c) 2025 Parimala Kolli https://creativecommons.org/licenses/by/4.0
Comparative Studies of Antioxidant Activities of Herbal Formulation of Curcuma longa L. and Cannabis sativa L. Plant Extracts: A Phytochemical Approach
The present study investigates the comparative antioxidant potential of Curcuma longa L. and Cannabis sativa L. extracts, individually and in combination, with the aim of developing novel herbal formulations. Multiple extraction techniques were employed for C. longa, including aqueous, heated, ethanol and Soxhlet methods, while C. sativa extracts were obtained via hydro-distillation of essential oil and cold pressing of hemp seed oil. Phytochemical screening confirmed the presence of phenolics, flavonoids, alkaloids, curcuminoids, terpenoids, cannabinoids and fatty acids, which are known contributors to antioxidant and antimicrobial activities. Characterization using UV-vis, TLC, HPLC, FTIR and GC-MS validated the presence of key functional groups and bioactive metabolites. Antioxidant capacity was determined using the DPPH radical scavenging assay, with ascorbic acid serving as the standard (IC50 = 12.68 µg/mL). Results indicated that C. longa ethanolic extract exhibited strong radical scavenging activity (IC50 = 21.01 µg/mL; 85.2% inhibition at 320 µg/mL), whereas C. sativa hemp seed oil showed weak activity (maximum 10.01% inhibition at 320 mg/mL; IC50 > 320 µg/mL) and essential oil demonstrated moderate potential. Importantly, the combined formulation of C. longa ethanolic extract with C. sativa essential oil displayed significantly enhanced antioxidant capacity (up to 85.2% scavenging at 100 µg/mL with an IC50 of 45.6 µg/mL), suggesting synergistic interactions among phytoconstituents. GC-MS profiling further revealed that C. longa ethanolic extract was rich in dehydrozingerone (35.82%), turmerones (18.29%) and curlone (8.60%), whereas hemp seed oil was dominated by linoleic acid (56.11%), α-linolenic acid (17.02%) and oleic acid (13.64%), reflecting a complementary balance of phenolic antioxidants and polyunsaturated fatty acids. These findings emphasize the chemical and biological complementarity of turmeric and cannabis, supporting their integration in polyherbal formulations aimed at mitigating oxidative stress. The study highlights the potential of turmeric–cannabis combinations as natural alternatives for antioxidant therapy, providing a basis for further pharmacological and nutraceutical applications.
Copyright (c) 2025 Sumitra Pandey, A.K. Sarkar, Ritu Chauhan https://creativecommons.org/licenses/by/4.0
Biogenic Synthesis and Characterization of Ag-Zn-CuO Nanoparticles using Peels of Citrus limetta: Evaluation of Dyes Degradation and Antibacterial Activity
The synthesis of green nanomaterials by sustainable routes is gaining more attention as they hold potential for catalysis, environmental clean-up and biomedical applications. Herein, Ag-Zn-CuO trimetallic nanoparticles were green synthesised using Citrus limetta (mosambi) peel extract as a bioreducing and stabilizing agent. Phytoconstituents such as phenolics, flavonoids and tannins were present in the peels and help to reduce metal ions and shows capping properties. The formation of nanoparticles was reflected by a clear colour change and further established through UV-Vis spectroscopy, which showed typical SPR absorption bands at 388 nm (Ag), 324 nm (Zn) and 284 nm (CuO). Morphological investigation through FE-SEM reflected uniformly dispersed nanoparticles with irregular surface morphology and EDS ensured their trimetallic nature (84.73 wt.% Ag, 3.06 wt.% Zn, 12.21 wt.% Cu). XRD analysis confirmed crystalline structure by diffraction peaks for fcc Ag (111, 113), Zn (101) and CuO (-113) with crystallite size of 16.15 nm on average as calculated from Scherrer’s equation. Zeta potential analysis showed a mean value of -16.6 mV and thus moderate electrostatic repulsion to prevent aggregation and promote colloidal stability. Further catalytic application, in the presence of NaBH4, nanoparticles degraded methyl red dye (78.69%) and Congo red dye (73.82%) in 180 min. Antibacterial activity exhibited strong inhibitory activity against E. coli (20 mm at 24 mg/mL). Biosynthesised Ag-Zn-CuO trimetallic nanoparticles possess effective dye degradation and antibacterial action, indicating their promise for usage in catalysis, environmental decontamination and biomedical applications.
Copyright (c) 2025 MadhuKriti, Arpita Roy, Sarvesh Rustagi, Vaseem Raja, Swetha Raj https://creativecommons.org/licenses/by/4.0
Synthesis and Characterisation of Critical Impurities in Ampicillin Trihydrate: N-Formyl Ampicilloic Acid and D-Phenylglycylampicillin
The current research work elucidates the identification, synthesis and characterisation of two critical impurities of ampicillin trihydrate, designated as N-formyl ampicilloic acid and D-phenylglycylampicillin (European Pharmacopoeia impurity I). The formation of N-formyl ampicilloic acid results from the cross-contamination of ampicillin trihydrate with residual formic acid, whereas D-phenylglycylampicillin arises through the amidation of amino group in the side chain of ampicillin trihydrate with D-phenylglycine methylester. These impurities substantially affect the overall quality of the ampicillin trihydrate API; therefore, their identification and control are critical. This work holds significant value for the generic pharmaceutical industry, as an efficient synthetic route for these impurities has been established using readily accessible starting materials.
Copyright (c) 2026 L Hanmanth Rao, MOGILI PADMA, ABHISHEK SHANKAR SAXENA, SRINU KARNATI https://creativecommons.org/licenses/by/4.0
Sunlight/Visible Light Assisted Photocatalytic Degradation of Acid Alizarin Violet N Dye and 4-Chloro Phenol over Mn+ Doped Nano TiO2 Catalysts
Nano TiO2 and 5 wt.% Mn+ (M = Ag+, Bi3+ and Ni2+) doped nano TiO2 photo catalysts were synthesised by sol-gel method. The resulting catalysts have been characterised by XRD, UV-Vis DRS, PL, SEM-EDAX, TEM, BET-SA, XPS and Raman spectroscopy. The present research work focused on enhanced photocatalytic degradation of aqueous solutions of acid alizarin violet N (AAVN) dye and 4-chlorophenol (4-CP) were investigated with TiO2, 5 wt.% Ag/TiO2, 5 wt.% Bi/TiO2 and 5 wt.% Ni/TiO2 nano photocatalysts under visible and solar light. AAVN dye was degraded to an extent of more than 98%, 4-CP degraded 97% on Ag/TiO2 as compared to Bi/TiO2, Ni/TiO2 and Bare TiO2 nanoparticles. Recyclability of photocatalysts were studied, with the material being found to be stable up to five cycles. Effect of scavengers on the photocatalytic activity of catalysts was studied using both superoxide ion radical and hydroxyl ion radical/hole scavengers namely benzoquinone, isopropanol, ammonium oxalate and formic acid, respectively.
Copyright (c) 2026 Dr, Dr, Ms., Dr, CHOZHIYATH, Hari Padmasri Aytam https://creativecommons.org/licenses/by/4.0
Green Synthesis of Ni-Fe co-doped TiO2 (Ni0.05Fe0.05Ti0.9O2) Nanoparticles for Enhanced Supercapacitor Applications
This work reports the green synthesis of Ni and Fe co-doped TiO2 nanocomposites via solution combustion using aloe vera gel as bio-fuel. The prepared Ni0.05Fe0.05Ti0.9O2 composition was confirmed by XRD and Raman spectroscopy, which showed anatase phase retention and successful substitution of Ti4+ by Ni2+ and Fe3+, inducing lattice distortion and local symmetry defects. SEM revealed reduced particle size and improved dispersion due to co-doping. Electrochemical studies including cyclic voltammetry, galvanostatic charge–discharge and impedance spectroscopy demonstrated enhanced capacitance, energy density and charge transfer dynamics in NiFeTiO2 compared to pure and Fe-doped TiO2. The NiFeTiO2 electrode achieved a high specific capacitance (140 F g–1), energy density (280 Wh/kg) and power density (54 kW/kg), highlighting the complementary role of binary doping in improving conductivity and pseudocapacitive behaviour. Overall, green synthesis and transition metal co-doping offer a sustainable route to high-performance supercapacitor electrode materials.
Copyright (c) 2026 Mohan Kumar P, Krishnakanth E https://creativecommons.org/licenses/by/4.0
Synthesis and Characterization of Malonic Acid Crosslinked Chitosan-Sodium Carboxymethyl Cellulose Mixed Hydrogel and Studies on Its Probable Use as Micro Water Reservoir in Soil
Climate change has impacted the worldwide rainfall pattern resulting in either too little or too much rainfall. This has adversely affected the cultivation of water intensive crops like rice. This calls for judicious irrigation process avoiding wastage of water. Use of hydrogels in soil acting as in situ water reservoirs, releasing water to soil in a slow manner may address the problem of wastage of water and associated leaching of nutrients from soil. The present work describes the synthesis of a mixed hydrogel from two polysaccharides chitosan (chit) and sodium carboxy methyl cellulose (NaCMC) in presence of malonic acid (MA) as crosslinking agent. The hydrogel samples were characterized using FTIR, TGA, PXRD and SEM techniques. The swelling studies indicated approximately 1700% swelling at pH 9.2. Swelling index values for the hydrogel was found to increase from acidic to alkaline medium. The water holding capacity was investigated using soil samples collected from five different locations including Kamrup (Metro), Kamrup (Rural), Nagaon, Nalbari and Bajali districts of Assam, India which were classified as sandy soil. The experimental results revealed high water holding capacity for the soil samples in the pH range of 6.0-7.0. Experimental evaluation on water holding also indicated that hydrogel addition to the soil samples significantly increased its water holding capacity compared to the untreated soil samples.
Copyright (c) 2025 MITU DAS, Subham Barkataky, Dilip Kumar Kakati, Bikash Gogoi https://creativecommons.org/licenses/by/4.0
Regioselective NBS-Mediated Synthesis of Indolyl–1,2,3-triazole Hybrids as Potent Anti-breast Cancer Agents with Reduced Nephrotoxicity
The growing demand for targeted cancer therapeutics with minimal systemic toxicity has directed the exploration of heterocyclic scaffolds with multifunctional potential. In this study, we designed and synthesised a series of indolyl-1,2,3-triazole compounds (IIIA1-III14) via a regioselective NBS-mediated coupling protocol, combining key pharmacological features of the indole and triazole moieties. All the fourteen derivatives were structurally validated using spectral and elemental analysis. Their antiproliferative activity was assessed against MCF-7 breast cancer cells, revealing that some derivatives surpassed adriamycin in efficacy. Compounds featuring chloro or fluoro substituents at the 5- or 6-positions on the indole core and methyl groups on the triazole ring, demonstrated potent cytotoxicity, with IIIA6, IIIA7 and IIIA14 showing IC50 values between 3.7 and 10.9 µM. Further safety evaluation of IIIA14 using HEK 293T kidney cells confirmed limited cytotoxicity at effective doses. These findings highlight the promise of indolyl-triazole hybrids, particularly IIIA14, as selective anti-breast cancer agents with an improved safety profile suitable for future therapeutic development.
Copyright (c) 2026 Karishma S. Kamble, Lalit Rathi, Nilesh A. Karande https://creativecommons.org/licenses/by/4.0
One-Pot Synthesis of Pyrazine-2-carbaldehyde Containing 1,2,3-Triazoles: In vitro Antibacterial Activity
In pursuit of enhanced antibacterial agents, a series of 3-(4-(aryl)-1H-1,2,3-triazol-1-yl)pyrazine-2-carbaldehydes was synthesised (4a-k) through the utilisation of 3-aminopyrazine-2-carbaldehyde, alkyne and triflyl azide via an in situ synthesised 3-azidopyrazine-2-carbaldehyde, followed by an assessment of their in vitro antibacterial activity. The investigation of antibacterial efficacy was conducted against three Gram-positive bacterial strains viz. Bacillus subtilis, Staphylococcus aureus and Staphylococcus epidermidis, employing the standard broth microdilution methodology. Among the compounds evaluated, compounds 4f and 4k demonstrated significant antibacterial efficacy, with minimum inhibitory concentration (MIC) values ranging from 3.12 ± 0.39 to 12.5 ± 0.87 µg/mL against the examined Gram-positive bacterial strains. Ultimately, further structural optimization of these potent compounds may lead to their development as promising candidates for future therapeutic applications.
Copyright (c) 2026 Prof. Jagadeesh Kumar Ega https://creativecommons.org/licenses/by/4.0
Therapeutic Potential of Disubstituted [{[5-(2-Chloro phenyl)-1,3,4-thiadiazole-2-yl]imino}-methyl]phenyl Derivatives as α-Amylase Antagonists: Synthesis, In silico and In vitro Screening
During the last few decades medicinal chemist focus turns to the novel heterocyclic moiety thiadiazole having similar stereotype with thiazole ring with hypoglycemic activity. Henceforth, this study aims to synthesise the designed novel 2,5-diarylsubstituted 1,3,4 thiadiazole derivatives (TDZ) by two step process using microwave irradiation method. The title compounds with electron withdrawing groups (nitro), electron donating groups (hydroxy, dimethyl amine) were synthesized from condensation of thiosemicarbazide with o-chlorobenzoic acid in presence of acidic catalyst followed by the condensation of the intermediate with substituted benzaldehydes under microwave irradiation. Molecular docking studies against α-amylase using Autodock and Schrödinger, molecular dynamic simulation studies using Growmacs and in vitro antidiabetic activity by α-amylase inhibition assay was performed to all the 2,5-diarylsubstituted 1,3,4-thiadiazole derivatives. There is a correlation of in silico and in vitro results, derivatives TDZ7 and TDZ2 (61% and 59%) showed significant α-amylase inhibition than the miglitol (81%) at 1000 µg/mL concentration. Molecular modelling studies demonstrates that derivatives TDZ2 and TDZ7 against 7taa (-8.67 and -7.82 kcal/mol), 1b2y (-4.8 and -4.5 kcal/mol), respectively, possess least binding energies than that of the standard drugs miglitol (-5.05 kcal/mol) and metformin (-8.19 kcal/mol) against 7taa with enzyme inhibition constant 442.33 nM, 1.85, 197.74 µM and 998 nM, respectively. All the ligands and standard drugs showed hydrophilic interactions with active site amino acids, with varying distances. Further research is needed to get the active derivatives with hypoglycemic potential.
Copyright (c) 2026 Dr.D.Ravi Sankar Reddy https://creativecommons.org/licenses/by/4.0
Sustainable Polymer–Nanoparticle Nanocomposites: A Comparative Review of PMMA, PLA, PVA and Chitosan Systems
The rising demand for eco-friendly, high-performance materials has accelerated interest in polymer–nanoparticle nanocomposites (PNNCs) as sustainable alternatives to conventional plastics. This review presents an integrated comparison of PNNCs based on polymethyl methacrylate (PMMA), polylactic acid (PLA), polyvinyl alcohol (PVA) and chitosan matrices reinforced with inorganic nanoparticles such as TiO2, ZnO, Ag, hydroxyapatite (HA) and Fe3O4. Nanofiller incorporation typically enhances the tensile strength by 20-60%, thermal stability by 10-25ºC and antimicrobial efficiency up to >99% reduction in bacterial load, depending on matrix–nanoparticle compatibility. For example, PLA–HA nanocomposites show up to 40% improvement in modulus and accelerated bioactivity for orthopaedic applications, whereas PMMA–TiO2 composites maintain optical clarity while providing enhanced UV-shielding and scratch resistance. A sustainability framework is applied to compare biodegradability and recyclability, highlighting PLA and chitosan as circular-economy-aligned matrices, while PMMA and PVA require responsible end-of-life strategies. Emphasis is placed on green synthesis routes, nanoparticle leaching behaviour and life-cycle considerations including environmental exposure risks. Challenges such as achieving stable nanoparticles dispersion, tuning interfacial chemistry and minimizing ecotoxicity are critically evaluated. The novelty of this work lies in bridging functional performance with life-cycle sustainability, directly aligning PNNC design principles with relevant UN Sustainable Development Goals.
Copyright (c) 2025 Harshit Gouri, Dr Geetika Bhalla, Dr Charu Kumar, Dr Meenu Srivastava , Dr Vinita Narula https://creativecommons.org/licenses/by/4.0
Synthesis, Antimicrobial and DFT Studies of 1,3,4-Oxadiazole Linked Quinoline Carbaldehyde Derivatives
A novel series of oxadiazole‑linked quinoline derivatives was synthesized and evaluated for antimicrobial activity and electronic properties. The synthetic pathway involved the preparation of 4‑substituted benzohydrazides, subsequent cyclization to yield 5‑(4‑substituted phenyl)‑1,3,4‑oxadiazole‑2‑thiols, and their coupling with 6/8‑substituted‑2‑chloroquinoline‑3‑carbaldehydes to obtain the target compounds viz. 2-((5-(4-substituted phenyl)-1,3,4-oxadiazol-2-yl)thio)-6/8-substituted quinoline-3-carbaldehydes (7a-l) in moderate to good yields. Antibacterial activity was assessed against Staphylococcus aureus, Bacillus subtilis, Escherichia coli and Pseudomonas aeruginosa, while antifungal activity was evaluated against Candida albicans using minimum inhibitory concentration (MIC) methods. Most compounds exhibited promising antimicrobial activity. Notably, compounds 7g and 7k, bearing p‑nitro phenyl substitution on the oxadiazole ring and chloro substitution on the quinoline nucleus, showed superior antibacterial and antifungal activities comparable to standard drugs.
Copyright (c) 2026 Dr. Janardhana Nayak https://creativecommons.org/licenses/by/4.0
Green Synthesis of ZnO Nanoparticles Mediated by Eleutherine bulbosa: Multifunctional Properties for Biomedical and Environmental Applications
In this work, zinc oxide nanoparticles (ZnO NPs) were prepared using an eco-friendly aqueous extract of Eleutherine bulbosa bulbs and were characterised by spectral and morphological techniques. The XRD confirmed sharp peaks with a crystallite size of 27.21 nm. Morphological studies showed flake-like structures in SEM and predominantly spherical particles in HR-TEM. TGA demonstrated good thermal stability with a weight loss from 96% to 65%. Functionally, the ZnO NPs exhibited strong antioxidant activity (IC50 = 44.15 µg/mL) and potent anticancer effects against human breast cancer cells (IC50 = 21.12 µg/mL). Photocatalytic activity was also significant, achieving 80% methylene blue degradation under UV light within 100 min.
Copyright (c) 2026 Monica. S, Kavitha rani. P.R, Thamarai Chelvi. c, Hari Prasad. S https://creativecommons.org/licenses/by/4.0
Electronic and Molecular Insights into Vericiguat: A Combined DFT, SAR and Molecular Docking Approach
A medication called vericiguat is employed to treat symptomatic chronic heart failure. This work utilised Gaussian 16W in the gaseous phase to perform density functional theory (DFT) algorithms at the B3LYP/6-311++G(d,p) level. The electronic structure, Mulliken charge distribution and electrostatic potential (ESP) map were analyzed to explain the fundamental properties of molecule. The hole-electron interaction studies revealed the nature of charge transfer. Theoretical vibrational and UV-Vis spectral analyses were performed to support structural characterisation. Fukui function analysis was employed to predict reactive sites toward electrophilic, nucleophilic and radical attacks. Aromaticity indices, non-covalent interaction (NCI) analysis, shaded surface mapping and localised orbital locator (LOL) projections were generated using Multiwfn 3.8. Furthermore, molecular docking and structure-activity relationship (SAR) studies were performed with Maestro (Schrödinger) against target protein 6JT2, providing insights into binding interactions and the potential therapeutic significance of vericiguat.
Copyright (c) 2026 Winfred J John https://creativecommons.org/licenses/by/4.0
Effect of Crystallinity and Optical Tuning in Sonochemically Synthesised ZnO Nanoparticles for Enhanced Photocatalytic Efficiency
In this work, phase-pure ZnO nanoparticles were synthesized via an ultrasonic-assisted sonochemical route and systematically characterized to elucidate their structural, thermal, optical, and photocatalytic properties. Thermogravimetric analysis revealed a minor mass loss (~3.5%) below 400 ºC, attributed to the removal of surface-adsorbed organic species, confirming the subsequent thermal stability of ZnO NPs. X-ray diffraction analysis confirmed the formation of a single-phase hexagonal wurtzite structure (space group P63mc) with a lattice parameter a = 3.517 Å and an average crystallite size of 21.6 nm, as estimated by the Debye-Scherrer equation. Energy-dispersive X-ray spectroscopy verified the stoichiometric Zn:O composition, with trace carbon arising from residual surface species. Scanning and transmission electron microscopy revealed quasi-spherical polycrystalline aggregates with a mean particle size of 48.22 nm. High-resolution TEM analysis displayed well-defined lattice fringes with interplanar spacings of 0.28 nm (100) and 0.26 nm (002), indicating the presence of single-crystalline domains within the aggregates. FT-IR spectroscopy confirmed residual organic functional groups alongside characteristic Zn–O vibrational modes in the 848-404 cm-1 range. UV-visible spectroscopy demonstrated a widened direct bandgap of 3.27 eV, indicative of quantum confinement effects. Photocatalytic performance evaluated under 366 nm UV irradiation showed efficient degradation of methylene blue (10 ppm), achieving over 50% removal within 160 min and following pseudo-first-order kinetics. The combined effects of high crystallinity, bandgap modulation and surface reactivity underscore the potential of these ZnO nanoparticles as effective photocatalysts for advanced oxidation processes in environmental remediation.
Copyright (c) 2026 Vikas Patil, D. V. Mane https://creativecommons.org/licenses/by/4.0
Biosynthesis of Rice Starch-Manganese Dioxide (IV) Nanocomposite: Its Characterization and Biological Potential
Manganese dioxide (MnO2) nanoparticles were biosynthesized in this study, utilizing rice starch (a natural polymer) to form nanocomposites with useful biological and analytical properties. The synthesized nanocomposites were characterized by XRD, FTIR, UV-Vis, HRTEM, FESEM-EDX and Zeta potential analysis. FTIR confirmed the formation of rice starch-manganese dioxide (rice starch-MnO2) nanocomposites and the presence of functional groups in the synthesis. XRD analysis determined the average crystalline size to be 38.27 nm, while FESEM and HRTEM revealed a spherical structure with irregular morphology. EDX confirmed a presence of manganese content 43.12%, oxygen 29.02% and carbon 27.86%. The anticancer activity against the HepG2 cell line (a human liver cancer cell line) was determined by MTT Assay, with an IC50 value of 76.31 ± 0.092 µg/mL. Antioxidant activity shows appreciable potency in the DPPH scavenging assay. The nanocomposites were thought to be stable under thermal conditions and to have prominent antioxidant and anticancer properties.
Copyright (c) 2025 Bhuwan Chandra, G. LOHIYA, J. KOHLI, A. TAMTA, N.D. KANDPAL https://creativecommons.org/licenses/by/4.0
Sulfonated Graphene Oxide Catalyzed Transformation of Pyrazole-Oxazolidine Derivatives and their Antimicrobial Activities
In this work, biologically active novel (E)-5-((1-phenyl-3-(4-R-phenyl)-1H-pyrazol-4-yl)methylene)-3-(4-chlorophenyl)oxazolidine-2,4-dione derivatives are synthesized and characterized. Initially, 5-azanyl(4-chlorophenyl)carbamate (3) was obtained from 4-chloroaniline (1) via carbonation with CO2 (2) in liquid ammonia, followed by O-carboxymethylation with sodium 2-chloroacetate to afford sodium 2-(((4-chlorophenyl)carbamoyl)oxy)acetate (4). Subsequently, compound 4 was cyclized to yield 3-(4-chlorophenyl)oxazolidine-2,4-dione (5) using sulfonated graphene oxide (SGO) as metal free nanocatalyst. Later, benzohydrazide (6) was condensed with various types of carboxylic acids (7) in presence of glacial acetic acid to obtain (E)-(4-R-phenyl)ethylidene hydrazone (8). It is further treated with POCl3 at 80 ºC for 4 h to obtain substituted pyrazole derivatives (9a-h). Finally, substituted pyrazole derivatives (9a-h) treated with sulfonated graphene oxide (SGO) catalyzed product 3-(4-chlorophenyl)oxazolidine-2,4-dione (5) to obtain targeted heterocyclic molecules 10a-h. This protocol demonstrates significant advantages in efficiency, ecological sustainability and catalyst reusability. Furthermore, the synthesized 1,3-oxazolidine-2,4-dione derivatives were evaluated for their antibacterial properties. The findings highlight the catalytic potential of SGO in the synthesis of 1,3-oxazolidine-2,4-dione derivatives as well as in broader applications in green organic transformations.
Copyright (c) 2025 Manuri Brahmayya, V.Muralikrishna Madasu, Deepthi S, A. Harinath, Lakshmi Rekha Buddiga, J Chandra Sekhara Rao, M Padma, Praveen Choppara, D Samsonu, A Venkateswara Rao https://creativecommons.org/licenses/by/4.0
Design, Synthesis, Characterization, Molecular Docking, MM/GBSA and Biological Evaluation of Thiazolidinones Derivatives as Promising Antibacterial and Antifungal Agents
In present study, a series of 24 thiazolidinone derivatives (TH7-TH30) was rationally designed as potential antibacterial and antifungal agents, of which twelve compounds (TH7-TH18) were successfully synthesized and fully characterized using IR, 1H NMR, 13C NMR, and HRMS techniques. The antimicrobial activity of the synthesized derivatives was evaluated by the tube dilution method, and minimum inhibitory concentrations (MICs) were determined against selected bacterial and fungal strains. To elucidate the molecular basis of activity, in silico studies were performed on all designed compounds using molecular docking with the Glide module of Schrödinger 9.6. Docking investigations targeted MurB (PDB ID: 7OSQ) and lanosterol 14-α demethylase (PDB ID: 5V5Z), key enzymes involved in bacterial cell wall synthesis and fungal sterol biosynthesis, respectively. Binding modes were further analyzed through superimposition with standard inhibitors, streptomycin for MurB and ketoconazole for lanosterol 14-α demethylase. The stability and binding free energies of the docked complexes were assessed using MM/GBSA calculations. Furthermore, ADMET properties of the designed derivatives were predicted using QikProp (v3.5) to evaluate drug-likeness, oral bioavailability and gut blood barrier permeability. Based on the combined experimental and computational findings, novel thiazolidinone derivatives emerge as promising lead structures for the further development of antibacterial and antifungal agents.
Copyright (c) 2026 Shabnam Thakur, Mohini Kalra , Naveen Khatri , ritu dhaiya https://creativecommons.org/licenses/by/4.0
Comparative Analysis of Algerian Juniperus oxycedrus Tar from Two-Regions: Physico-chemical Characterization and Antibacterial Performance in Wastewater Treatment
In this study, the comparative study characterizes the region-specific properties of Juniperus oxycedrus tar (Cade oil or Gatran) from two Algerian provenances (Djelfa and M'sila), evaluating both physico-chemical parameters and antimicrobial potential. Laboratory analyses identified substantial provenance-based differentiation, particularly in rheological behaviour, where M'sila-sourced tar displayed 3.7-fold greater dynamic viscosity (1544 mPa·s) than Djelfa samples (420 mPa·s) under the standardized conditions (31.5 ± 0.4 ºC). Both variants exhibited complete bactericidal activity (100% elimination) against wastewater indicator organisms (total coliforms, fecal coliforms and fecal streptococci) at operational concentrations of 0.1 mL/L with 30 min contact time. The observed dissociation between antimicrobial efficacy (which showed no geographic variation) and physico-chemical profiles suggests that while biological activity remains consistent, material properties may dictate specific industrial applications. These results suggests for the potential integration of J. oxycedrus tar as a sustainable disinfectant in water treatment systems, pending further investigation into its environmental persistence and comparative cost-effectiveness relative to the conventional biocides.
Copyright (c) 2025 Naima Hellali, Mustafa Chouireb, Ouahiba Mimouni, Ouahiba Mimouni, Habiba Ben Abderrahmane https://creativecommons.org/licenses/by/4.0
A Dual-Strategic Approach to Synthesize Fe2O3 Nanoparticles with Study on their Structural, Optical and Antibacterial Properties
In this study, iron(III) oxide (Fe2O3) nanoparticles were synthesized using two approaches namely a conventional chemical co-precipitation method and a green synthesis route utilizing Azadirachta indica leaf extract, which simultaneously functions as a reducing and stabilizing agent. Following synthesis, the nanoparticles underwent characterization to assess their optical behaviour along with structural and morphological features. Through XRD characterization, Fe2O3 was identified in its rhombohedral crystalline configuration, with average particle sizes measured as 42 nm for co-precipitation-derived samples and 35 nm for those synthesized via the green route. Scanning electron microscopy (SEM) revealed size variations between the two synthesis routes, with the green method producing relatively smaller and more uniformly dispersed nanoparticles. UV-Vis absorption spectra indicated the characteristic optical transitions with slight band gap variations, attributed to particle size and surface modifications by phytochemicals present in the neem extract. Fourier-transform infrared spectroscopy revealed characteristic Fe–O bond vibrations together with biomolecular groups in Fe2O3 nanoparticles produced via the neem-assisted route. Antimicrobial testing performed using the agar well diffusion method against Staphylococcus aureus and Escherichia coli showed that the green-synthesized particles achieved greater inhibition zones. This enhancement is associated with their nanoscale size, enlarged surface-to-volume ratio and the functional bioactive molecules originating from neem extract. Overall, the study underscores the potential of green synthesis for designing effective and biocompatible antibacterial nanomaterials.
Copyright (c) 2026 SARASWATI GHADAI, Suchismita Acharya, MAMALISA SAHOO, MONALI PRIYADARSINI MISHRA, S.K. BISWAL, S.N. SARANGI https://creativecommons.org/licenses/by/4.0
Flavonoids as Multifunctional Phytochemicals: Structural Diversity, Pharmacological Potential and Therapeutic Prospects
Flavonoids, a common class of polyphenolic compounds found in many plants, are known for their diverse biological activities and potential health benefits. They possess broad pharmacological actions including antioxidant, anti-inflammatory, antibacterial, antifungal, antiviral, anticancer, antidiabetic, hepatoprotective and antiatherosclerotic properties. These effects arise from their ability to neutralize free radicals, modulate inflammatory and signaling pathways, induce apoptosis in cancer cells, enhance insulin sensitivity and protect hepatic tissues. Flavonoids also play a crucial role in preventing and managing various chronic diseases, with ongoing clinical trials exploring their therapeutic potential in cancer, cardiovascular and metabolic disorders. Their multifunctional nature and natural origin make them promising candidates for the development of novel therapeutics and nutraceuticals aimed at promoting overall health and disease prevention. This review discusses the chemistry, classification, sources, mechanisms of action, absorption, metabolism and therapeutic potential of flavonoids, emphasizing their roles in oxidative stress and inflammation-related disorders. It also highlights some specific flavonoid compounds, their bioactivities and recent advances in enhancing their bioavailability for use as natural therapeutic and nutraceutical agents.
Copyright (c) 2025 Katharigatta Venugopala https://creativecommons.org/licenses/by/4.0
Unveiling the Oxidation Dynamics of Mefenamic Acid by Chloramine-T Using MnO/Ag2O/NiO Nanoparticles
Green synthesis of sol-gel method was employed to synthesise MnO/Ag2O/NiO nanoparticles. The synthesised nanoparticle showed an average crystalline size of 20-45 nm with semi-circular crystal structure. A combination of XRD, SEM, EDX and FTIR techniques provided insights into the material’s size, shape and chemical composition. The data reveals the adverse catalytic property of the nanoparticle. The synthesised MnO/Ag2O/NiO (MAN) nanoparticle was used as a catalyst to study the oxidation of mefenamic acid (MFA) by N-chloro-p-toluensulfonamide (CAT) in low pH solution at 298 K. A detailed analysis of the reaction stoichiometry and oxidation products was performed for both nano-catalyzed and non-nano-catalyzed reactions using LC-MS method. The influence of reaction rate on [CAT] is unimolecular, while the proportional to [MFA] is zero-order, for both nano-catalyzed and non-nano-catalyzed reactions. Influence of hydrogen ion concentration on reaction kinetics differs between the non-nanocatalyzed and nano-catalyzed reactions, with an inverse proportionality to a fractional power observed for the former and a non-integer order dependence observed for the latter. The reaction rate is not appreciably affected due to the accumulation of the resulting compound. A negligible negative correlation between the permittivity constant and reaction rate was found for both cases. The independence of the reaction rate on ionic strength implies that non-ionic species play a crucial role in the rate-limiting step. No evidence of free radical intermediates was found and kinetic studies at different temperatures enabled the calculation of thermodynamic parameters. A plausible mechanism was proposed to explain the observed kinetic parameters and rate laws were formulated for both catalyzed and nano-catalyzed reactions.
Copyright (c) 2025 Jayadevappa HP, H S Sonakshi, M K Aripitha, K M Vidyashree https://creativecommons.org/licenses/by/4.0
Design, Synthesis, in silico Analysis and Pharmacological Evaluation of Coumarin Derived Mercaptotriazole Derivatives as MCL-1 Inhibitors
Design and synthesis of new series of 4-amino-5-mercapto-4H-1,2,4-triazoles connected to coumarin ring and assessed for cytotoxity and the study of docking studies was done against MDA-MB-231 cell lines. Using substituted diols, a series of new coumarin linked 4-amino-5-mercapto-4H-1,2,4-triazoles derivatives were synthesized from substituted diols. Moreover, the elucidation of the newly synthesized mercaptotriazole derivatives was achieved by spectral data. An MTT assay was employed to evaluate the antineoplastic activity against triple-negative breast cancer (TNBC) and the synthesized compounds demonstrated promising, potent, and innovative inhibitory effects, highlighting their potential for the development of new anticancer therapies. Compounds 8h, 8d, 8e, 8b, 8i, 8j and 8a exhibit high binding energies with target receptor MCL-1 enzyme of the MDA-MB231 cells, where remaining compounds exhibit good binding interactions with target protein. In silico Docking studies verified the uncompetitive inhibition of MCL-1 enzyme.
Copyright (c) 2025 BUELA PRIYANKA G https://creativecommons.org/licenses/by/4.0
Adsorption of Ammonium Ions from Water using Activated Carbon Derived from Garlic Waste
Water contaminated with ammonium (NH4+) is associated with many adverse effects on humans, aquatic organisms and the environment. The removal of NH4+ from aquatic sources is essential to support life. This study used modified garlic basal plate waste to remove NH4+ from polluted water. Garlic waste was carbonized at 450 ºC and chemically activated with NaOH and H3PO4. After activation, the samples were characterized using SEM, EDX, TEM, XRD, FTIR and Raman spectroscopy. The SEM images showed that the inner surface was exposed and was heterogeneous and, porous with cavities of different sizes and shapes. The elemental constituents of the materials are carbon (C), oxygen (O) and heteroatoms in trace amounts. FTIR analysis showed that the materials have many functional groups, such as –OH (3250 cm–1), –CH (2916 cm–1), –C=C and –NH2 groups (1658 cm–1), –OH (1425 cm–1) and –CO (1000 cm–1). Equilibrium studies indicated that the data fit the nonlinear Freundlich model, suggesting that the uptake represents multilayer adsorption due to different active sites on the adsorbent with unequal energy levels. The Freundlich constant (n) values were between 4.276 and 5.902, indicating that the uptake was favourable. The contact time effect showed three different phases of adsorption: a strong uptake, a steady state of adsorption and a plateau. The data for the contact time corresponded to the pseudo-second order kinetic model. The ΔHº values ranged from (-1.27 to -5.04 KJ/mol), indicating that the uptake was dominated by physical adsorption, but to some extent other mechanisms were partially involved in the uptake. The values of ΔSº and ΔGº were also negative, indicating that the adsorption was spontaneous and only partially random. The optimal conditions for the uptake of NH4+ using a working standard with an initial concentration of 100 mg/L were a solution pH of 10 and a temperature of 298 K. Under these conditions, the adsorption capacities for untreated carbon from garlic basal plate (CGBP), acid activated garlic basal plate (AGBP) and base activated garlic basal plate (BGBP) were 25.09, 37.04 and 40.11 mg/g, respectively.
Copyright (c) 2025 David Shooto, Patience Thabede https://creativecommons.org/licenses/by/4.0
Rutin-Mediated Synthesis of Zr-Mg@N-rGO Nanocomposites with Potent Antioxidant and Antimicrobial Activities
In present study, a novel Zr-Mg@N-doped reduced graphene oxide (N-rGO) nanocomposite was synthesized using a green, sustainable approach. Rutin, a natural polyphenolic flavonoid, was employed as a reducing and stabilizing agent, enabling the eco-friendly fabrication of the nanocomposite without the use of harsh chemicals. The synthesized material was thoroughly characterized using multiple techniques. UV-visible spectroscopy confirmed nanoparticle formation and optical properties; FT-IR analysis revealed the presence of functional groups associated with rutin and metal-oxygen bonds; XRD patterns indicated the crystalline nature of ZrO2 and MgO phases embedded within the rGO matrix; SEM and EDAX analyses confirmed the morphological features and elemental composition, while DLS and zeta potential measurements indicated good colloidal stability and moderate mono dispersity. The nanocomposite exhibited significant bacterial (Actinomyces israelii, Proteus vulgaris) and fungal (Candida albicans, Trichoderma) pathogens with increasing inhibition zones observed at higher concentrations. Antioxidant potential was evaluated via DPPH, H2O2 and NO assays, where the nanocomposite demonstrated dose-dependent free radical scavenging activity, attributed to the presence of rutin and synergistic metal-oxide interaction. Overall, the synthesized Zr-Mg@N-rGO nanocomposite offers a multifunctional platform with potential applications in biomedical, environmental and optoelectronic fields.
Copyright (c) 2026 NIVETHA SUNDHARAJ, ROSALINE VIMALA J, DEVADHARSHINI AMALA A, ANITHA IMMACULATE A https://creativecommons.org/licenses/by/4.0
Eco-Friendly Synthesis, Characterization and Multifunctional Bioactivity of Phyto-Capped Zinc Oxide Nanoparticles Derived from Kalanchoe fedtschenkoi
This work reports an eco-friendly approach of synthesis of zinc oxide nanoparticles (Kf-ZnNPs) using leaf extract from Kalanchoe fedtschenkoi and evaluates their physico-chemical characteristics along with a broad spectrum of biological activities. The UV-Visible spectroscopy confirmed the formation and optical stability of the nanoparticles through a distinct absorption peak at 349 nm, indicative of monodispersity. Dynamic light scattering and zeta potential analyses revealed a narrow particle size distribution with an average hydrodynamic diameter of approximately 34.20 nm (PDI: 0.001-0.306) and moderate colloidal stability (-11.66 mV). Scanning electron microscopy (SEM) further demonstrated a quasi-spherical morphology with particle sizes ranging between 13.49 and 24.28 nm. FTIR analysis confirmed the involvement of proteins, phenolics and other phytochemicals from the plant extract in nanoparticle reduction and stabilization. The crystalline nature of the nanoparticles was established by X-ray diffraction, which showed a characteristic wurtzite ZnO phase with crystallite sizes between 17.7 to 26.4 nm and an average crystallite size of 21.78 ± 3.42 nm. Biological results revealed the remarkable antibacterial activity of Kf-ZnNPs against Staphylococcus aureus and Escherichia coli, with inhibition zones of 25 ± 1.00 mm and 22 ± 1.00 mm, respectively, along with significant antifungal efficacy against Candida albicans (23 ± 1.00 mm). The nanoparticles also exhibited significant antioxidant, anti-inflammatory and antidiabetic activities, with IC50 values of 92 µg/mL, 70.98 µg/mL and 97.13 µg/mL, respectively. Furthermore, the cytotoxicity assays demonstrated substantial anticancer potential against MCF-7 and A549 cell lines, with IC50 values of 15 µg/mL and 20.15 µg/mL, respectively.
Copyright (c) 2026 Hrishikesh Khodade, Deepak Shelke, Hiralal Sonawane, Kamlakar More https://creativecommons.org/licenses/by/4.0
Synthesis and Comprehensive Characterisation of Pure SnO2 Nanoparticles: Insights into Photocatalytic Activity and Electrochemical Performance
Tin oxide nanoparticles (SnO2 NPs) were synthesized via a straightforward hydrothermal approach and subsequently annealed at temperatures of 500 ºC, 600 ºC and 700 ºC. Comprehensive characterisation of these nanoparticles was performed using X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), field emission scanning electron microscopy with energy-dispersive X-ray spectroscopy (FESEM-EDS), high-resolution transmission electron microscopy with selected area electron diffraction (HRTEM-SAED), UV-visible diffuse reflectance spectroscopy (UV-DRS) and X-ray photoelectron spectroscopy (XPS). XRD patterns revealed a tetragonal crystal structure, with the average crystallite size increasing from 8 nm to 28 nm as the annealing temperature was raised, a finding that was corroborated by TEM analysis. FTIR spectroscopy confirmed the presence of Sn–O–Sn bonds, indicated by absorption peaks at 644 cm–1. FESEM analysis showed a predominantly spherical morphology and EDX spectra verified the presence of tin and oxygen. The optical band gap of Sn7 NPs was determined to be 3.43 eV through UV-DRS using the Kubelka–Munk method. XPS analysis provided insights into the electronic structure and confirmed the phase purity and elemental composition of the samples. The SnO2 (Sn7) electrode delivered a specific capacitance of 271 F g–1 at a current density of 0.2 A g–1 and exhibited remarkable cyclic stability, retaining 86.14% of their capacitance after 2000 cycles. Furthermore, the photocatalytic activity of Sn7 catalyst was assessed under sunlight, revealing a notable 85% degradation of methyl violet dye. These findings highlight the dual functionality of nanosized SnO2, making it a promising material for both energy storage and environmental applications.
Copyright (c) 2025 T. Nesavi, L. Balu, R. EzhilPavai, M. Ajithkumar https://creativecommons.org/licenses/by/4.0
Design, Synthesis and Molecular Docking Study of New Diaryl Sulphide Phenylenediamine Sulphonamide Hybrids as Antibacterial Agents
Antimicrobial resistance (AMR) is a growing worldwide threat, exacerbated by the overuse or misuse of antibiotics, particularly in regions like India. To address this, a series of new diaryl sulphide phenylenediamine sulphonamide hybrids (9a-j) is we synthesised and evaluated for their antibacterial activity against Corynebacterium (Gram-positive) and Escherichia coli (Gram-negative). Among these, compound 9i (4-nitro) showed the most potent antibacterial effects, surpassing streptomycin at all concentrations. Structure-activity relationship (SAR) studies revealed that electron-withdrawing groups, particularly nitro and halogens, enhanced the activity, with para-substitution being most effective. Molecular docking studies confirmed that compound 9i exhibited strong binding to bacterial DNA gyrase, supporting its potential as a broad-spectrum antimicrobial agent. These findings highlight the importance of strategic substitutions in developing effective antibiotics to combat AMR.
Copyright (c) 2026 B. N. Aishwarya, P. Suresh Yadav, S. Nanjunda Swamy, K. Vamsi , D. M. Manjunath, A. M. Uttam, C. Sudharani, M. Subhosh Chandra, Prof. Priya Babu Shubha Shubha https://creativecommons.org/licenses/by/4.0