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 Prof. Neeraj Kumar Fuloria Associate Editor
Determination of Stability Constants of Mixed Ligand Complexes of Tricine and Amino Acids with Cd(II) by Potentiometric Titration Method
A potentiometric titration technique has been used to determine the stability constants for the various complexes of Cd(II) with tricine (T) as primary ligand and amino acids (L) as secondary ligand in aqueous solution at 25 °C and ionic strength of I = 0.1 M (NaNO3). The relative stabilities of the ternary complexes are compared with those of the corresponding binary complexes and explained in view of their Δ log K values. Finally, species distributions in solution for all complexes were also evaluated.
Copyright (c) 2026 https://creativecommons.org/licenses/by/4.0
Functionalization of Silica Coated on Iron Sand Magnetic Material with Diethylenetriamine
Diethylenetriamine (DETA) functionalized silica coated on magnetic material of iron sand (MM@SiO2–DETA) has been synthesized by sol–gel method. Synthesis was carried out by coating magnetic material of iron sand as the core with diethylenetriamine–modified silica using sodium silicate solution and N1–(3–trimethoxysylilpropyl)diethylenetriamine (TMPSDETA) as silica and diethylenetriamine group sources, respectively. Several variations of mole ratio of silica to DETA at a constant weight of magnetic material were examined to evaluate the effect of the coating agent amount on the properties of MM@SiO2–DETA. MM@SiO2–DETA was characterized with Fourier transform infrared spectrophotometer, X-ray diffraction, scanning electron microscope with energy dispersive spectroscope (SEM–EDX), vibrating sample magnetometer and thermal gravimetric analysis. Stability test of product toward acidic solution and the effect of mole ratio of SiO2 and DETA on adsorption of Au(III) also evaluated. The characterization results indicated that SiO2 and DETA groups were successfully attached to the surface of magnetic material to form MM@SiO2–DETA. Characteristic bands of the vibration of propyl and amino groups derived from DETA; indicating that DETA was successfully reacted with MM@SiO2. Coating of magnetic material with SiO2 exhibits the decrease in Ms up to 38.2 emu/g and 23.5 emu/g after coating with SiO2–DETA. Thermalgravimetric analysis indicate thermal stability of the resulted product of MM@SiO2–DETA (1:1) up to 350 °C. Dissolution by acid solution can be diminished by coating magnetic material with silica. Gold(III) adsorption capacity of MM@SiO2–DETA (1:0.5), MM@SiO2–DETA (1:1) and MM@SiO2–DETA (1:2) are found to be higher than 92 %.
Comparative Phytochemical Screening by GC-MS and Assessment of Biological Activities of Leaves, Stem and Root of Costus igneus
Costus igneus (insulin plant), is among the important medicinal plant known for its diverse medicinal properties; in particular, to manage blood glucose levels. The present study is a comparative analysis of phytochemical composition and pharmacological activities of leaves, stem and root of insulin plant through FTIR, GC-MS analysis, DPPH radical scavenging ability, protein denaturation inhibition and in vitro α-amylase inhibitory activity. The present study aimed to evaluate the antioxidant and anti-inflammatory potential of different plant parts. Among the extracts tested, the leaf extract exhibited the highest α-amylase inhibitory activity, showing efficacy comparable to that of the standard drug acarbose. The leaf extract exhibited the highest DPPH radical scavenging activity, reaching maximum inhibition at 100 µg/mL. In the protein denaturation assay, the stem extract showed anti-inflammatory activity comparable to salicylic acid and second only to the leaf extract. Phytochemical analysis revealed the presence of diverse bioactive compounds in all plant parts, with the root containing the highest concentration and greatest phytochemical diversity. While previous studies have largely focused on the leaves, the present findings demonstrate that the stem and root also possess considerable therapeutic potential, expanding their prospects for healthcare and related industrial applications.
Copyright (c) 2026 Aashna Sinha, Nishesh Sharma, Ajay Singh, Shanti Bhushan Mishra, Nitin Kumar https://creativecommons.org/licenses/by/4.0
Simple and Selective Synthesis of Critical α-Anomer Impurity of SGLT2 Inhibitors: Empagliflozin, Dapagliflozin and Canagliflozin
The present study focuses on the selective synthesis of α-anomer impurities in SGLT2 inhibitors, namely empagliflozin, dapagliflozin and canagliflozin. Sodium‑glucose cotransporter‑2 (SGLT2) inhibitors are very important medication used for the treatment of type 2 diabetes. However, their safety profiles and therapeutic efficacy may be impacted by the existence of isomeric impurities. Herein, a simple and effective synthetic method is given to obtain these crucial α-anomers using aryl halides with C1-glycosyl halides using zinc powder, nickel(II) chloride hexahydrate and 4,4'-dimethoxy-2,2'-bipyridine in good yields. The obtained results serve as a foundation for standardizing quality control procedures and highlight the significance of thorough impurity profiling in pharmaceutical development. In addition to improving knowledge of SGLT2 inhibitors, this work advances the larger endeavor of guaranteeing patient safety through strict pharmaceutical procedures.
Copyright (c) 2026 Nandyala Malyadri Reddy, K.R.S. Prasad, N. Ravi Shekar Reddy, Katam Reddy Vinod Kumar Reddy, G. Pavana Kumari, Naveen Mulakayala https://creativecommons.org/licenses/by/4.0
Seasonal Dynamics of Jarosite-Rich Residue Crystallinity and Its Implications for Heavy Metal Mobility, Bioavailability and Crop Uptake in Semi-Arid Agricultural Soils
Jarosite residue, a secondary sulphate mineral prevalent in acid mine drainage (AMD) systems and hydrometallurgical zinc-processing wastes, serves as a transient repository for heavy metals such as lead (Pb), arsenic (As), cadmium (Cd) and zinc (Zn). However, its stability is profoundly influenced by the seasonal environmental fluctuations. This study reports the crystal-chemical transformations of jarosite rich industrial waste across wet (monsoon) and dry seasons, elucidating their ramifications for heavy metal mobility, soil contamination, crop bioaccumulation and human health risks. Soil and waste samples were collected from a jarosite residue dump (site A), adjacent agricultural soil (site B) and a reference site (site C) during peak dry (March 2025) and wet (July 2025) seasons. Analyses encompassed physico-chemical properties (pH, EC, organic carbon, CEC), X-ray diffraction for mineralogy, ICP-MS for total and bioavailable metals, BCR sequential extraction for speciation, batch dissolution experiments simulating seasonal conditions, crop metal accumulation in wheat and maize, bioaccessibility assessments and pilot remediation trials using lime, biochar and bentonite. Results revealed heightened jarosite residue dissolution and reduced crystallinity (from 0.87 to 0.80) in the dry season, fostering transformation to goethite and anglesite, with Pb and As shifting from residual (65-75%) to labile fractions (45-55%). Bioavailable Pb and As at site A surged from 5.59 and 2.08 mg/kg (wet) to 19.52 and 7.74 mg/kg (dry), respectively. Batch experiments confirmed amplified metal release (up to 70% Pb, 54% As) at elevated temperatures (45 ºC) and pH 7.5. Crop grains from site B exhibited elevated accumulation (e.g. 2.5 mg/kg Pb in wheat), yielding hazard quotients exceeding 1 for children, indicating non-carcinogenic risks. Remediation amendments reduced bioavailable metals by 55-65%, enhancing pH and CEC. These findings underscore the vulnerability of semi-arid mining ecosystems to seasonal dynamics, encouraging tailored waste management and bioremediation strategies to mitigate contamination and foster sustainable agricultural practices in affected regions.
Copyright (c) 2026 Vaseem Akhtar, Kirti Mohan Sharma, Dinesh Kulhary https://creativecommons.org/licenses/by/4.0
Green Synthesis of Spiropyranone 3-Aryl-4-Methylcoumarin Derivatives using Carbonyldiimidazole
A series of spiropyranone 3-aryl-4-methylcoumarin derivatives have been synthesized from monospiro-2-hydroxy acetophenone in a novel and efficient green method using imidazolyl intermediates and inorganic base. Imidazolyl intermediates were in turn generated by grinding the respective phenylacetic acid along with carbonyldiimidazole (CDI). Similarly, monospiro-2-hydroxy acetophenone derivatives were prepared selectively by avoiding formation of bis derivatives following literature procedure. The titled compounds were purified by preparative TLC technique and were characterized by IR, 1H NMR, 13C NMR as well as mass spectral methods.
Spectroscopic Structural Elucidation and Molecular Docking Studies of Newly Isolated Rhamnose Containing Hexaoligosaccharide from Mango Honey: Implications for Wound Healing Activity
A novel rhamnose-containing oligosaccharide, magnorhamnose (C41H72N2O30), was isolated from the chloroform extract of mango honey using silica gel column chromatography with chloroform and methanol as the mobile phase. The honey sample was extracted using a modified method involving acetylation followed by chloroform extraction, which facilitated the isolation of the oligosaccharide fraction. The isolated compound showed positive results in the phenol-sulphuric acid, Feigl and Morgan-Elson tests, confirming the presence of carbohydrate moieties along with N-acetyl-containing monosaccharide units. Based on these structural characteristics, PASS analysis was performed to predict its potential biological activities. The compound exhibited promising antimicrobial and antifungal activities with Pa values of 0.751 and 0.740, respectively, indicating its possible therapeutic relevance. To further support these predictions, molecular docking studies were carried out against five proteins associated with wound-healing activity, namely 1FLT, 1Q7D, 2AZ5, 6Y8M, and 6B8Y. Magnorhamnose demonstrated favorable binding affinities with docking energies of -8.0, -5.2, -7., -5.6 and -5.6 kcal/mol, respectively. The combined findings from phytochemical characterization, PASS prediction, and molecular docking analysis suggest that magnorhamnose possesses potential antimicrobial and wound-healing properties, warranting further experimental investigation.
Copyright (c) 2026 Akanksha Yadav, Aparna Sharma, Ranvijay Pratap Singh, Shashi Bala https://creativecommons.org/licenses/by/4.0
Effect of Substituents at α- and β-Carbon Atoms on β-Elimination Reactions of N-Alkyl Pyrazoles: A Theoretical Approach
The present study investigates the effect of substituents at the α- and β-carbon atoms on the β-elimination reactions of N-alkyl pyrazoles using density functional theory (DFT). Five elimination pathways involving different substituent combinations, namely hydrogen, methyl and ethyl groups, were examined in detail to evaluate their influence on reaction energetics and transition-state characteristics. N-Ethyl pyrazole, N-sec-butyl pyrazole, N-tert-butyl pyrazole and N-tert-pentyl pyrazole were selected as model reactants, which upon β-elimination yielded the corresponding alkene along with pyrazole as the common product. The variations in ΔH values are observed among the five reactions. Substitution with all methyl group has significant effect on activation energy and energy of reaction. Interestingly, this study reveals that methyl and ethyl group have negative inductive effect on α- and β-carbon atoms. The results obtained in this work align well with the previous reported experimental kinetic study and demonstrates improved accuracy as compared to semi-empirical study. Moreover, this study sheds light on the mechanistic aspects of β-elimination reactions of N-alkyl pyrazoles and enhances academic knowledge on the effect of methyl and ethyl group in organic molecules.
Copyright (c) 2026 Sanjeev Kumar Mishra, Jyoti Tyagi https://creativecommons.org/licenses/by/4.0
Computational Design, Synthesis and Biological Evaluation of Some Novel 1H-Pyrrolizine Carboxylic Acid Derivatives as Anticancer Agents
Licofelone is a 1H-pyrrolizine carboxylic acid based dual COX/5-LOX inhibitor, emerges as a promising therapeutic candidate due to its ability to simultaneous interference of both inflammatory pathways, but its clinical translation is restricted by its poor pharmacokinetics. The current research aims to design novel 1H-pyrrolizine carboxylic acid derivatives with the intent to improve the pharmacokinetics and explore their anticancer potential. The docking analysis of the designed analogues showed potent binding with COX-2, 5-LOX and some other anticancer targets, especially indoleamine 2,3-dioxygenase-1 (IDO1), in comparison with parent molecule. A synthetic procedure was developed and optimised for the synthesis of designed compounds followed by assessing their anticancer potential by performing an MTT assay. The obtained results have concluded that the designed licofelone-derived pyrrolizine analogues revealed that structural modifications with different amino acid conjugates significantly influenced their anticancer activity with compound 8b and 8c exhibited the most potent antiproliferative activity against PANC-1 cells with IC50 values of 1.7 ± 0.2 µM and 1.4 ± 0.05 µM, respectively. These molecules can be further used to develop novel anticancer therapeutics post preclinical and clinical validation.
Copyright (c) 2026 Subhash Chander, Karan Goel, Katarzyna Wanke, Mateusz Kciuk, Renata Kontek, Thakur Gurjeet Singh, Somdutt Mujwar https://creativecommons.org/licenses/by/4.0
Design, Synthesis, Molecular Docking Studies and Biological Evaluation of Novel Imidazole–1,2,3-Triazole Hybrid Derivatives as Anticancer and Antimicrobial Agents
The development of multifunctional heterocyclic hybrids offers a promising strategy for novel therapeutic discovery. In this study, a series of imidazole–triazole derivatives incorporating a 6-nitrobenzo[d][1,3]dioxole moiety were designed and synthesised and their structures were confirmed by IR, NMR and mass spectrometry. The synthesised compounds were evaluated for anticancer activity against MCF-7 cells, cytotoxicity toward NIH/3T3 normal cells and antimicrobial activity against selected strains. Among them, compound 6f displayed the highest cytotoxic potency, while compounds 6d, 6e and 6i also demonstrated significant activity. Structure–activity relationship studies indicated that both electronic and steric properties of substituents strongly influence biological activity, with electron-withdrawing groups generally enhancing anticancer potency. Molecular docking studies against the EGFR tyrosine kinase domain (PDB ID: 6LUD) revealed favourable ligand–protein interactions and compound 6f exhibited the highest binding affinity with a docking score of -9.4 kcal/mol and hydrogen bond interaction with SER797. The docking protocol was validated with an RMSD value of 1.12 Å using the co-crystallised ligand osimertinib. The obtained results suggest that these imidazole–triazole hybrids may serve as promising lead molecules for further optimisation and biological investigation as potential anticancer agents.
Copyright (c) 2026 Potharaju Sunil Kumar, Rambabu Bhukya, Goli J. Rupasree, Nampally Rajitha, Nalaparaju Nagaraju, Ramchander Jadhav https://creativecommons.org/licenses/by/4.0
Design and Synthesis of Novel Hydrazone-Linked 1,2,3-Triazole-Pyrazole Derivatives: In vitro Cytotoxicity, Antimicrobial and Molecular Docking Studies
A series of novel hydrazone-linked 1,2,3-triazole-pyrazole derivatives (7a-l) were rationally designed and synthesised through an efficient multistep synthetic strategy. The key intermediates were constructed via diazotisation–azidation followed by cycloaddition to generate the 1,2,3-triazole core, which was further functionalised to afford the target hydrazone derivatives. Final compounds were evaluated for their in vitro anticancer and antimicrobial activities. Antiproliferative screening against selected human cancer cell lines revealed that compounds bearing electron-withdrawing substituents exhibited superior cytotoxicity compared to electron-donating analogues. Among the synthesised derivatives, 7d (p-Cl) and 7c (p-NO2) exhibited the lowest IC50 values against the MCF-7 cell line (0.10 and 0.55 µM, respectively), comparable to doxorubicin (0.92 µM) under the same conditions. In antibacterial assays, halogen and fluoro-substituted derivatives demonstrated comparatively improved activity, with compounds 7b, 7d, 7i and 7k showing notable potency. Antifungal evaluation revealed that nitro-, fluoro- and methoxy-substituted analogues, particularly 7c, 7e and 7f, displayed enhanced activity against the tested strains. Molecular docking studies suggested favourable binding interactions with selected biological targets. Based on the obtained results, it is concluded that hydrazone-linked 1,2,3-triazole-pyrazole hybrids act as promising scaffolds for further optimisation toward anticancer and antimicrobial applications.
Copyright (c) 2026 Potharaju Sunil Kumar, Rambabu Bhukya, Chandulal Bhukya, Nampally Rajitha, Goli J. Rupasree, Nalaparaju Nagaraju, Ramchander Jadhav https://creativecommons.org/licenses/by/4.0
Molecular Design and Characterisation of Hyaluronic Acid-Based Nanogel Sponges for Controlled Glutathione Release and Wound Healing
The development of sustainable, bio-based polymeric materials with controlled release functionality is of growing interest for advanced wound-healing applications. In this study, a hyaluronic acid (HA) based nanogel sponge scaffold incorporating glutathione (GSH) loaded chitosan nanogels was rationally designed using ionic gelation followed by freeze-drying. This green and mild fabrication strategy enabled the stabilisation of the redox-active thiol functionality of GSH while generating a hierarchically porous HA sponge architecture. Comprehensive physico-chemical characterisation using UV-diffuse reflectance spectroscopy, FTIR, differential scanning calorimetry, zeta potential analysis, dynamic light scattering, scanning electron microscopy and transmission electron microscopy confirmed successful molecular integration, preservation of functional groups, nanoscale uniformity, interconnected porosity and satisfactory thermal and colloidal stability. The scaffold exhibited a controlled, diffusion-driven swelling profile, supporting sustained moisture retention under simulated wound conditions. In vitro anti-inflammatory evaluation demonstrated concentration-dependent inhibition of bovine serum albumin and egg albumin denaturation, along with significant red blood cell membrane stabilisation, with higher concentrations approaching the activity of the reference drug. These findings demonstrate that HA-GSH nanogel sponges represent a sustainably engineered, redox-responsive polymer system capable of providing structural support, controlled molecular release and anti-inflammatory functionality. This study contributes to the advancement of bio-based polysaccharide materials and green nanogel synthesis related to health, responsible production and materials innovation.
Copyright (c) 2026 Sneha Panneerselvam, Safiq Hussain Jahir, Lisha Kumar, Kiruthika Ganesan, Renukadevi Jeyavelkumaran https://creativecommons.org/licenses/by/4.0
Synthesis, Characterisation, Molecular Docking and Anti-breast Cancer Activity of Scopoletin Derivatives
Scopoletin is a promising compound for the treatment of cancer. A series of novel scopoletin-based benzylsulfone derivatives (4a-j) were synthesised and characterised by FT-IR, 1H NMR, mass spectrometry and elemental analysis. Their anticancer potential was investigated through molecular docking against VEGFR2 (PDB ID: 2XIR) and in vitro cytotoxicity studies on MCF-7 and MDA-MB-468 breast cancer cell lines. Docking studies revealed that compound 4h exhibited the strongest binding affinity (-9.2 kcal mol–1), followed by 4g (-8.9 kcal mol–1) and 4j (-8.5 kcal mol–1), exceeding that of the reference inhibitor PF-00337210 (-7.7 kcal mol–1). Cytotoxicity evaluation demonstrated that compound 4h was the most active derivative, with IC50 values of 6.32 and 8.55 µM against MCF-7 and MDA-MB-468 cells, respectively. Compounds 4g and 4j also showed promising activity. The observed correlation between VEGFR2 binding affinity and cytotoxic effects suggests that these scopoletin derivatives may act through VEGFR2 inhibition. Among the synthesised compounds, 4h emerged as a promising lead for further development as a potential anticancer agent.
Copyright (c) 2026 Niranjan Kaushik, Pallvi Sharma, Manvi Karayat https://creativecommons.org/licenses/by/4.0
Bougainvillea glabra-Mediated ZnO/rGO Nanocomposite for Enhanced Photocatalytic Degradation of Methylene Blue and Antibacterial Activity
The synthesised ZnO/rGO/Bougainvillea glabra nanocomposite demonstrates significant structural and functional modifications due to the incorporation of rGO and plant-derived phytochemicals. A reduction in crystallite size from 28.8 nm to 2-4 nm indicates controlled nucleation and growth during synthesis. Fourier-transform infrared spectroscopy (FTIR) analysis confirms Zn–O bonding along with organic functional groups, evidencing surface modification by plant extract. Morphological analysis reveals a heterogeneous structure, contributing to increased active surface area. The band gap reduction from 3.29 to 3.18 eV suggests enhanced light absorption, likely due to ZnO–rGO interactions facilitating improved electron transfer. Photocatalytic studies show enhanced methylene blue degradation compared to pristine ZnO, attributed to efficient charge separation and reduced electron–hole recombination. The composite retains activity over multiple cycles, indicating good stability. The synthesized nanocomposite also exhibited modest antibacterial activity against the tested bacterial strains, which may be attributed to reactive species generation and surface interactions.
Copyright (c) 2026 K SUJITHA, K BALAKRISHNAN, N MANI, S JOTHI RAMALINGAM, S SASIKRUBA, P DHARSHINI https://creativecommons.org/licenses/by/4.0
Structural, Optical, Photocatalytic and Antibacterial Properties of Hydrothermally Synthesised CuO–WO3 Heterojunction Nanocomposite
Nanostructured pure CuO and CuO-WO3 heterojunction composites were synthesised using a hydrothermal technique. The materials were analysed by XRD, SEM, TEM, AFM, EDX and FTIR to determine their physico-chemical properties. Monoclinic crystal structure and heterojunction composite that developed between the synthesised CuO and WO3 are indicated. The photocatalytic activity was investigated via the degradation of methylene blue under visible light, where the CuO–WO3 nanocomposite exhibited higher photocatalytic activity compared to the unmodified nanostructured CuO. The enhanced photocatalytic activity of the composite material is attributed to the suppressed recombination of photogenerated electron–hole pairs under visible-light irradiation and the increased generation of reactive oxygen species (ROS) facilitated by the presence of WO3. The antibacterial performance of the prepared materials was evaluated against Gram-positive and Gram-negative bacteria. In comparison to unmodified CuO, the CuO–WO3 nanocomposite demonstrated superior antibacterial activity due to better surface deposition and ROS-mediated bacterial cell membrane destruction, which was attributed to the interaction of the generated ROS with the cell membranes of bacteria. The enhanced performance is attributed to improved interfacial charge transfer, heterojunction-induced carrier separation and increased surface-active sites. The CuO–WO3 system demonstrates the significance of interfacial engineering and phase coupling in tailoring functional properties. These findings highlight the potential of such oxide-based composites as multifunctional agents for advanced environmental and antimicrobial applications.
Copyright (c) 2026 Rajendra Prasad Jakkula, Domala Suresh, Srinivasa Rao Konda, Ramyashree Raghavapuram https://creativecommons.org/licenses/by/4.0
Isolation, Characterisation and in silico Studies of Bioactive Terpenoid and Flavonoid from the Seeds of Mucuna pruriens
In this work, new bioactive terpenoids (1-2) and flavonoid (3) have been isolated from the chloroform extract of the seeds of Mucuna pruriens. The structures of the isolated compounds were established by spectroscopic analysis. In vitro antibacterial and antifungal activities of these compounds have been studied. Compound 2 showed the highest inhibition value (16.0 ± 0.5 mm) against S. aureus and (19.3 ± 0.6 mm) against B. subtilis. Compound 2 also exhibited significant antifungal activities with inhibition value (16.0 ± 0.6) mm and (6.0 ± 1.0) mm against T. harzianum and A. niger, respectively. Molecular docking studies and ADME prediction of the compounds were performed. Compound 2 showed good binding affinity ranging between -7.5 to -7.6 kcal/mol with targeted receptors.
Copyright (c) 2026 Ranajit Kumar Sutradhar, Pair Ahmed, Md. Sakhaoyat Hossain, Md. Nazrul Islam, Md. Emdad Hossain https://creativecommons.org/licenses/by/4.0
Phytochemical Screening and FTIR Characterisation of Ultrasonic Assisted Methanolic Extract of Chlorococcum humicola: Evaluation of its Antioxidant and Anti-inflammatory Activities
This study investigates the phytochemical composition and evaluates the antioxidant and anti-inflammatory potential of an ultrasonic-assisted methanolic extract (UAME) obtained from the double mutant Chlorococcum humicola MCH4 cultivated in ultrasonically pretreated municipal wastewater (UPMWW). Qualitative phytochemical screening revealed a broader spectrum of bioactive compounds in the mutant strain compared with the wild strain C. humicola KMS2, in which glycosides, tannins and phytosterols were absent. Quantitative analysis showed high total phenolic content (59.47 ± 0.09 mg GAE/g DW), total flavonoid content (62.47 ± 0.12 mg QE/g DW) and total carotenoids (4.11 mg/g), confirming the enriched phytochemical profile of C. humicola MCH4. Based on these results, the UAME of the mutant strain was selected for further biological evaluation. The extract exhibited notable radical-scavenging activity in DPPH and ABTS assays with IC50 values of approximately 50 µg/mL. In vitro anti-inflammatory assays demonstrated concentration-dependent inhibition of albumin denaturation (IC50 ≈ 59.4 µg/mL), proteinase activity (IC50 ≈ 57.0 µg/mL) and lipoxygenase activity (IC50 ≈ 55.2 µg/mL), indicating promising preliminary activity. FTIR analysis confirmed the presence of hydroxyl, carbonyl and aliphatic functional groups associated with phenolics, proteins, lipids, carotenoids and carbohydrates. The results indicate that the double mutant C. humicola MCH4 cultivated in UPMWW serves as a sustainable and promising source of bioactive compounds with potential applications in pharmaceutical, nutraceutical and cosmeceutical fields.
Copyright (c) 2026 E. Vanitha, K. Dhandayuthapani https://creativecommons.org/licenses/by/4.0
Phytochemical and Trace Metal Analysis of Agave Leaves Used in Cosmetics from KwaZulu-Natal, South Africa
The global preference for natural, bioactive cosmetics has increased interest in plant-based ingredients rich in phytochemicals and essential trace minerals. This study examined the phytochemical composition and trace metal content of Agave angustifolia (AA) and Agave sisalana (AS) leaves from KwaZulu-Natal, South Africa, to evaluate their potential as raw materials for cosmetics. Methanolic leaf extracts were analysed both qualitatively and quantitatively for phytochemical components using UV-visible spectrophotometry, while functional groups were characterised by Fourier-transform infrared spectroscopy (Agilent Cary 630 FTIR). Trace metal levels were measured with inductively coupled plasma mass spectrometry (Perkin-Elmer NexION® 350 X ICP-MS). Qualitative screening confirmed the presence of key phytochemical classes, including flavonoids, saponins, tannins and phenolic compounds. Quantitative tests showed high levels of phenolics (AA: 771 ppm; AS: 691 ppm), flavonoids (AA: 1280 ppm; AS: 1895 ppm) and tannins (AA: 1378 ppm; AS: 1963 ppm), indicating strong antioxidant potential. Low ascorbic acid levels (0.09-0.13 ppm) suggest limited vitamin C contribution. The high phenolic and flavonoid contents imply the extracts possess significant antioxidant, anti-inflammatory and antimicrobial properties, making them suitable for formulations targeting photoageing, irritation and acne-prone skin. ICP-MS analysis identified eleven trace elements (As, Cd, Co, Cr, Cu, Mo, Ni, Pb, Sb, Se, Zn), including essential micronutrients (Zn, Cu and Se), which support collagen synthesis, wound healing and antioxidant defence. The analysis also identified skin sensitizers such as Co and Cr, along with toxic elements like Cd and As, though their levels remained within regulatory limits. However, Pb and Ni were found to slightly exceed the permissible limits set by the European Union and Health Canada. These findings highlight the phytochemical richness and mineral diversity of A. angustifolia and A. sisalana, supporting their potential as multifunctional bioactive ingredients in natural cosmetic formulations, provided they are carefully sourced and refined under safety standards.
Copyright (c) 2026 Matthew C. Achilonu, Ntombikayise G. Mkhize, S’busiso M. Nkosi, Xolile V. Ngubane https://creativecommons.org/licenses/by/4.0
Eco-Friendly Composite Film from Seaweed Biopolymer and Cyclea peltata: A Sustainable Material Study
A composite film was prepared by combining κ-carrageenan (KC) extracted from Eucheuma cottonii seaweed with a pectin-rich gel obtained from the leaves of Cyclea peltata (CP), a medicinal climber whose pectin has not previously been used for film fabrication. The film, formulated at a 3:1 (v/v) KC:CP ratio with 0.5% sorbitol, was investigated for its structural, thermal, mechanical, barrier, antimicrobial and soil-burial biodegradation behaviour, with KC and CP. Scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA/DTG) and atomic force microscopy (AFM) confirmed the formation of an integrated matrix in which CP pectin interacts with KC through hydrogen bonding at peak intensification at 3300 cm–1. Mechanical testing showed that the composite film displayed higher elongation at break and lower water solubility than pure KC, with intermediate tensile strength. The water-vapour permeability of the composite was comparable to that of pure KC and soil-burial testing showed 74.5 ± 3% mass loss after 20 days. Antimicrobial activity against Escherichia coli and Staphylococcus aureus reduction of 99.33%. Together, the data indicate that the KC-CP composite is a promising biopolymer-based film for short-shelf-life food-contact applications, with full oxygen-transmission-rate and shelf-life evaluation identified as the next stage of work.
Copyright (c) 2026 Chandrika, Srinivas Mutalik, Venkatesh, R, Poornima R. Kunder , Manjunatha Bukkambudhi Krishnaswamy4, Dr. Vidya S.M https://creativecommons.org/licenses/by/4.0
Targeted LC-MS Quantification of Eight Urinary Opioids using Validated 10-Fold Enrichment: Forensic and De-addiction Applications in Casework
Limited access to liquid chromatography-tandem mass spectrometry (LC-MS/MS) can restrict targeted urinary opioid testing in some forensic laboratories. A fit-for-purpose single-quadrupole liquid chromatography-mass spectrometry (LC-MS) workflow was developed and validated for the quantification of urine morphine, codeine, 6-monoacetylmorphine (6-MAM), tramadol, 6-acetylcodeine (6-AC), heroin, fentanyl and methadone with 10-fold enrichment. The samples were subjected to passive hydrolysis, Oasis HLB solid-phase extraction (SPE) cleanup, enrichment, C18 separation, positive electrospray ionisation (ESI) full-scan acquisition and extracted-ion chromatogram (EIC)-based monitoring. This method was applied to 63 de-addiction and forensic casework specimens. The effective urine-equivalent limit of quantification (LOQ) was 50.0 ng/mL, corresponding to 0.5 µg/mL in the final enriched extract. Calibration was linear over 0.5-25.0 µg/mL with a correlation coefficient (R2) of ≥ 0.990. Precision varied from 0.2% to 16.8%, bias from -17.3% to 18.0%, matrix effect (ME) from 85.8% to 109.1% and extraction recovery (RE) from 82.4% to 114.3%. Codeine and morphine were the most frequently quantified analytes, followed by 6-MAM and 6-AC. The method provides targeted urinary opioid quantification within a defined validation and LOQ-based reporting scope, without claiming equivalence to LC-MS/MS/multiple reaction monitoring (MRM) confirmation.
Copyright (c) 2026 ETIENNE NDIKUMANA, ASTHA PANDEY, ANIRUDHA DIXIT, AAKANKSHA SONI, TULSIDAS R. BAGGI https://creativecommons.org/licenses/by/4.0
Micronutrient-Fortified Guar Gum-Borax Hydrogels for Controlled Release and Improved Growth of Green Gram (Vigna radiata)
Micronutrient deficiencies and water scarcity are major constraints to crop productivity, especially in conditions of excessive cultivation and low fertilizer use efficiency. To overcome this, the designing of smart materials such as hydrogels by simple and scalable synthesis method is essential. In this study, we propose the development of fortified guar gum-borax (GGB) hydrogels as polysaccharide-derived matrices for controlled micronutrient delivery. Different loading strategies were investigated to incorporate essential micronutrients, including Zn, Fe, Mn, Cu and B, into the hydrogel matrix. Among the approaches evaluated, the post-gelation loading method proved to be the most effective for achieving efficient nutrient encapsulation and retention. Comprehensive physico-chemical characterization confirmed the successful incorporation of the micronutrients within the hydrogel network. Furthermore, soil incubation and aqueous release studies demonstrated a sustained and controlled release behaviour confirmed prolonged micronutrient availability and enhanced nutrient delivery potential. Pot trials on green gram (Vigna radiata) revealed that fortified hydrogel treatments showed faster germination and better or comparable vegetative growth when compared with treatments of conventional micronutrient fertilisation. Post-harvest soil analysis indicated that fortified-GGB hydrogels-maintained soil pH and electrical conductivity within a comparable range while supporting post-harvest micronutrient availability.
Copyright (c) 2026 Jinali B. Shah, Prof. K. Santhosh Kumar, Dr. Pujan B. Vaishnav https://creativecommons.org/licenses/by/4.0
In situ Synthesis of Zinc Oxide Nanoparticles on Cotton Fabric for Eco-Friendly Textile Applications
This study describes the fabrication of cotton twill fabrics coated with zinc oxide nanoparticles (ZnO NPs) for the development of eco-friendly textiles. ZnO NPs were synthesized in situ on citric acid-pretreated cotton fabrics using zinc acetate as the precursor and sodium hydroxide as the alkaline agent. Citric acid pretreatment enhanced zinc ion adsorption, enabling uniform nanoparticle deposition and strong interfacial bonding between the ZnO NPs and cellulose fibers under controlled alkaline and thermal conditions. FT-IR analysis confirmed the formation of ZnO NPs through characteristic absorption bands at 500-430 cm–1. EDX analysis confirmed the presence of zinc and oxygen, while FESEM images revealed a homogeneous nanoscale distribution of the nanoparticles on the fabric surface. XRD analysis confirmed the cellulose-I crystalline structure together with weak diffraction peaks corresponding to partially amorphous ZnO NPs. The functionalized fabrics exhibited concentration-dependent antibacterial activity, demonstrating enhanced antimicrobial performance with increasing ZnO loading. The proposed in situ synthesis method provides a simple, durable and effective approach for the functionalization of cotton fabrics, offering promising potential for protective and healthcare textile applications.
Copyright (c) 2026 K V Arunkumar kumar, PACHIYAPPAN K.M., Gandamalla Ambedkar, MANIKANDAN DHAYALAN https://creativecommons.org/licenses/by/4.0
Effect of Varying Degree of Substitution on Functional and Structural Properties of Kodo Millet Starch
The functional and structural properties of kodo millet starch were investigated as a function of the degree of substitution during esterification with 2-octenyl-succinic anhydride (OSA) at three concentrations (0%, 1.0%, 2.0% and 3.0%). The increasing degree of substitution (0.0058 to 0.0077) indicates preferential substitution of OS groups in the amorphous region of starch. X-ray diffraction revealed a slight decrease in relative crystallinity (31.37-29.87%), indicating that esterification induced structural modifications in both amorphous and crystalline domains. Fourier transform infrared spectroscopy detected peaks around 1720 cm–1 and 1645 cm–1, confirming OS group substitution. Microscopic analysis revealed particles with increased surface roughness, indicating that esterification occurs at the surface. The amphiphilic nature of OSA contributes to improved oil-binding capacity, swelling and solubility at increasing temperatures (60 ºC, 75 ºC and 90 ºC). However, water-binding capacity did not change significantly. Pasting properties showed an increase in peak viscosity reflecting improved granule swelling behaviour. The shear-thinning and viscoelastic behaviour observed through rheological assessments indicates that esterification effectively improves the functional performance of kodo millet starch, making it a promising ingredient for diverse food formulation applications.
Copyright (c) 2026 Deep Shikha, Sukhcharn Singh, Dharmesh Chandra saxena https://creativecommons.org/licenses/by/4.0
Synthesis, Spectral Characterisation and Docking Analysis of Thiazole-Based Schiff Base Derivatives as Novel Antimicrobial and Antifungal Agents
A novel series of thiazole-based Schiff base derivatives (ML-1 to ML-10) were synthesised via condensation of 2-aminothiazole with N-Boc-protected amino acids, followed by deprotection and reaction with various aromatic aldehydes. Structures were confirmed by FT-IR, 1H NMR, 13C NMR and mass spectrometry. The antibacterial activity of all the compounds was evaluated against six bacterial strains, showing that ML-9 exhibited the strongest activity, with ML-9 exhibiting the strongest activity, showing MIC values within the range of ciprofloxacin against selected strains. The antifungal activity was also assessed against Fusarium oxysporum, Rhizoctonia solani and Colletotrichum capsici, with ML-9 showing the most potent inhibition with ML-9 showing the lowest MIC values, approaching those of fluconazole against Rhizoctonia solani and Colletotrichum capsici. SAR studies highlighted the importance of electron-donating and -withdrawing groups in enhancing activity. Molecular docking against CYP51 (PDB ID: 4WMZ) revealed strong binding for ML-9 and ML-8 (G-scores: -6.735 and -6.560 kcal/mol), with stable interactions involving LEU380, PHE384 and TYR140. These results identify ML-9 and ML-8 as promising preliminary candidates for further structural optimisation and biological evaluation.
Copyright (c) 2026 Mangesh Lokhande, Devendra Wagare, Manish Adhyapak, Bhagwat Shelke, SANGEETA PAWAR https://creativecommons.org/licenses/by/4.0
Synthesis, Characterisation, Cytotoxicity, Antimicrobial and Docking Studies of (2,4-Bis((1-phenyl-1H-1,2,3-triazol-4-yl)methoxy)phenyl)(phenyl)methanone Derivatives
Using a copper(I)-catalysed azide-alkyne (CuAAC) cycloaddition method, a new series of 2,4-bis((1-phenyl-1H-1,2,3-triazol-4-yl)-methoxy)phenyl)(phenyl)methanone analogues (7a-o) were synthesised, characterised by 1H and 13C NMR, FT-IR, mass and elemental analysis and evaluated for the biological activities. Cell viability method on MCF-7, HeLa and PC-3 cells revealed compounds 7d, 7j and 7f exhibited potent cytotoxicity, while other compounds displayed moderate to weak effects, indicating promising anticancer potential for selected derivatives. Antibacterial and antifungal activities were tested using disc diffusion method, among the tested compounds 7d, 7f and 7k showed strong activity, outperforming streptomycin and amphotericin B. Molecular docking against 17β-HSD1 demonstrated high binding affinities for 7j (-12.4 kcal/mol) and 7d (-12.3 kcal/mol), superior to doxorubicin (-8.9 kcal/mol), forming interactions with key residues like ILE14 and SER142. These findings suggest the synthesised compounds are promising anticancer and antimicrobial agents.
Copyright (c) 2026 Moodu Nagu M NAGU https://creativecommons.org/licenses/by/4.0
Synthesis of Novel Pyrimido[1,2-c]quinazolin-4-one and Triazolo[4,3-c]quinazoline Derivatives: Anticancer Activity and Docking Interactions
A series of novel pyrimido[1,2-c]quinazolin-4-one and triazolo[4,3-c]quinazoline derivatives were synthesized starting from 2-amino-5-(trifluoromethyl)benzonitrile. The acidic hydrolysis of the nitrile group afforded 2-amino-6-(trifluoromethyl)benzoic acid, which subsequently underwent cyclization in the presence of formic acid to yield the corresponding quinazolinone intermediate. Treatment of this cyclised product with ethyl 2-bromoacetate produced 6-(trifluoromethyl)quinazolin-4-amine. Further condensation of this amine with various substituted ethyl 2-methyl-3-oxobutanoates furnished a series of pyrimido[1,2-c]quinazolin-4-one derivatives (5a-f). In a parallel synthetic route, 6-(trifluoromethyl)quinazolin-4(3H)-one was reacted with phosphorus oxychloride (POCl3) to generate 4-chloro-6-(trifluoro-methyl)quinazoline, which further nucleophilic substitution reaction with hydrazine hydrate afforded 4-hydrazinyl-6-(trifluoromethyl)-quinazoline. Finally, cyclocondensation of this intermediate with various substituted aromatic carboxylic acids led to the formation of the target triazolo[4,3-c]quinazoline derivatives (8a-h). The synthesised pyrimido[1,2-c]quinazolin-4-one and triazolo[4,3-c]quinazoline derivatives were evaluated for their anticancer potential against four human cancer cell lines, including HeLa (cervical cancer), COLO 205 (colon cancer), HepG2 (liver cancer) and MCF-7 (breast cancer). Biological evaluation revealed that compounds 5a and 5c displayed significant anticancer activity compared with the other derivatives. The molecular docking studies were also performed to explore the binding interactions of the most active compounds with the selected biological target and to support the observed experimental results.
Copyright (c) 2026 Sailu Bethala, Ramu Perumandla, Sairam Gummula, Shylaja Kotte https://creativecommons.org/licenses/by/4.0
Quantum Chemical, Spectroscopic, Biological and Molecular Simulation Evaluation of N-(4-Methyl-2-pyridyl)acetamide as COX-2 Targeting Anti-Inflammatory Agent
Chronic inflammation has a major impact on the progression of many debilitating disorders such as rheumatoid arthritis, cardiovascular ailments and neurodegenerative conditions, emphasising the urgent identification of novel pharmacological agents with increased potency and reduced toxicity. This study focuses on the synthetic preparation, spectral studies and molecular modeling analysis and biological assessment of N-(4-Methyl-2-pyridyl)acetamide (4MPA), a nitrogen-containing heterocyclic compound with potential anti-inflammatory activity. Structural integrity was confirmed through FT-IR and Raman spectroscopic analyses. Computational investigations employing DFT demonstrated favourable electronic features including optimised geometries and well-distributed electrostatic potential surfaces. In silico pharmacological profiling indicated high oral bioavailability, excellent intestinal absorption (95.19%) and low skin permeability, affirming the drug-like nature of compound. Molecular docking studies showed stable interactions of 4MPA with inflammatory targets 5F19, with binding energy of -5.78 kcal/mol, respectively, corresponding inhibition constants suggesting moderate to strong affinity. These complexes were stabilised by key hydrogen bonds and hydrophobic interactions, indicative of potential pathway modulation. The compound also demonstrated acceptable pharmacokinetic properties, supporting its suitability as a drug candidate. These findings identify 4MPA as a promising anti-inflammatory agent with potential supplementary antimicrobial properties, warranting further mechanistic and optimisation studies.
Copyright (c) 2026 V. Gokila, K. Karpagavalli, K. Raju, R. Aswini, S. Selvakumar, P. Manikandan https://creativecommons.org/licenses/by/4.0
Integrated Phytochemical Characterisation and LC-MS/MS Profiling of Portulaca oleracea with Antioxidant and Antimicrobial Activity Assessment
The present study evaluates the phytochemical profile, antioxidant activity and antimicrobial potential of the ethanolic extract of Portulaca oleracea, revealing a high abundance of flavonoids, phenolic acids, tannins and cardiac glycosides, with weak terpenoid presence and absence of alkaloids, confirming ethanol as an effective solvent for polyphenol extraction. Quantitative analysis demonstrated significantly higher total phenolic and flavonoid contents compared to previously reported studies, reflecting the superior polyphenolic richness of the extract. LC-MS/MS profiling enabled the annotation of diverse bioactive constituents, including phenolic acids, flavonoids, flavonoid glycosides and high-molecular-weight polyphenols such as procyanidin oligomers and tannins, with consistent mzCloud and ChemSpider FISh scores supporting confident compound identification. The extract exhibited strong antioxidant activity, particularly in the DPPH free radical scavenging assay, with lower IC50 values than earlier reports, while ABTS+ assay results indicated comparable but assay-dependent efficacy. Furthermore, the extract showed moderate broad-spectrum antibacterial activity against both Gram-positive and Gram-negative bacteria, as evidenced by measurable zones of inhibition and minimum inhibitory concentrations. One-way ANOVA followed by Tukey’s HSD post hoc analysis revealed no significant variation among the samples (p > 0.05), indicating a high degree of consistency and supporting the standardisation of P. oleracea extracts.
Copyright (c) 2026 Sarita Diwakar, Rashmi Verma, Sanjoy Kumar Bera, Ananya Das Mahapatra, Milan Hait, Dr Nand Kumar Kashyap Kashyap https://creativecommons.org/licenses/by/4.0
Synthesis of Three Ru(II) Polypyridyl Complexes of 2-(4-(Pyrrolidine-1-yl)phenyl)-1H-imidazo[4,5-f][1,10]phenanthroline: Characterisation, DNA Binding, Antimicrobial and Cytotoxicity Studies
Three Ru(II) complexes having general formula, [Ru(A)2PPIP](ClO4)2·2H2O, where PPIP = 2-(4-(pyrrolidine-1-yl)phenyl)-1H-imidazo[4,5-f]-[1,10]phenanthroline and A = phen = 1,10 phenanthroline (1), bpy = bipyridine (2), dmb = 4,4'-dimethyl 2,2'-bipyridine (3) were synthesised. In order to conduct the structural investigation of these complexes, various techniques such as 1H NMR, 13C NMR, FT-IR, ESI mass and UV-visible were utilised. The Ru(II) complexes were confirmed to have an octahedral geometry based on the spectroscopic and analytical results. Their interaction with DNA was systematically investigated using UV-Vis absorption, fluorescence quenching and viscosity measurements, all of which consistently indicated an intercalative binding mode. The agreement among these techniques strengthens the proposed DNA-binding mechanism. Furthermore, DNA cleavage studies revealed that all the three Ru(II) complexes effectively converted supercoiled DNA (Form I) into nicked circular DNA (Form II), demonstrating their significant DNA-cleaving capability. In vitro biological evaluations against both Gram-positive and Gram-negative microbial strains revealed that the Ru(II) complexes exhibited superior antimicrobial activity compared with the PPIP ligand. Cytotoxicity studies further demonstrated that the Ru(II) complexes were more potent than the free ligand, while showing enhanced activity relative to the reference standards. In addition, molecular modelling investigations were performed to elucidate their geometric and electronic characteristics. The electrostatic potential surface contours for the complexes were also analysed to obtain the insights into the charge distribution and their nucleophilic level of sensitivity.
Copyright (c) 2026 Markandeya Namani Education https://creativecommons.org/licenses/by/4.0
Evaluation of Antimicrobial and Photocatalytic Degradation of Reactive Black Dye Using Fe3O4/rGO Nanocomposite
The growing demand for efficient wastewater treatment technologies has intensified research into nanomaterial-based solutions capable of addressing complex environmental contaminants. In this context, the present study evaluates the performance of bare Fe3O4 NPs and the composite of reduced graphene oxide–iron oxide (rGO–Fe3O4) as advanced functional materials for wastewater purification. The desirable nanomaterials were synthesised using hydrothermal method and comprehensively characterised by X-ray diffraction analysis (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), BET surface analyzer, X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FTIR) and photoluminescence spectroscopy. The average crystallite sizes of prepared Fe3O4 and rGO–Fe3O4 were determined to be 21.3 nm and 16.9 nm, respectively. This enhancement was confirmed by the superior performance of rGO–Fe3O4 in the degradation of reactive black (RB) dye. The optimised experiments demonstrated that 100% degradation of RB dye was attained when the process was carried out with an agitation time of 80 min, an adsorbent dose of 0.1 g, a solution pH of 12 and an initial dye concentration of 10 mg L–1. Furthermore, the rGO–Fe3O4 nanocomposite exhibited significant antibacterial activity against E. coli and S. aureus. These findings demonstrate that rGO–Fe3O4 nanocomposites represent a promising multifunctional material for efficient wastewater treatment and microbial disinfection applications.
Copyright (c) 2026 SHYAMALA PULIPAKA, B N SURESH VARMA D, GANTA ANUSHA https://creativecommons.org/licenses/by/4.0
Bismuth and Antimony-based Nanoparticles: New Avenues for Sustainable Catalysis and Environmental Remediation
Nanostructured bismuth- and antimony-containing photocatalysts have become increasingly popular in photocatalytic applications because of their strong visible-light response and adjustable band-gap energies. Compared with conventional photocatalysts such as TiO2 and ZnO, Bi-based and Sb-based photocatalysts exhibit broader visible-light absorption and more favourable electronic structures. Their photocatalytic performance can be readily tailored through various engineering strategies, including defect engineering, elemental doping, morphology control and heterojunction construction. This review article summarizes some of the successful uses of Bi- and Sb-based nanostructured semiconductor photocatalysts for the degradation of organic dyes, pharmaceuticals, pesticides and heavy metals from aqueous solutions. Specific examples are provided to demonstrate the influence of morphology variation, oxygen vacancies and the construction of Z-scheme or S-scheme heterojunctions on the enhanced photocatalytic activity of Bi- and Sb-based nanomaterials. Recent developments in synthesis strategies and heterostructure design are also discussed in relation to improved catalytic activity and stability. Current challenges, including photocorrosion, catalyst deactivation, scalability, recyclability, and the potential ecotoxicity of Sb-containing materials, are highlighted, together with future perspectives for the development of sustainable and efficient photocatalytic systems.
Copyright (c) 2026 Mahima Chaudhary https://creativecommons.org/licenses/by/4.0
TiO2-Catalysed Synthesis of Hydrazinyl Thiazoles and their Evaluation for Anticancer Activity in MOC2 Cells
A series of hydrazinyl thiazole derivatives were synthesised (4a-j) via an efficient titanium dioxide (TiO2) catalysed protocol using 1-indanone, phenacyl bromide and thiosemicarbazide as key starting materials. All the synthesised compounds were fully characterised by 1H NMR, 13C NMR and mass spectral data. The developed methodology offers mild reaction conditions, good to excellent yield and operational simplicity, highlighting the catalytic efficiency of TiO2. The synthesized compounds were also evaluated against MOC2 cell lines using the MTT assay as a preliminary in vitro screening tool to assess their anticancer activity, effects on cell viability, comparative efficacy, and structure–activity relationships. The obtained results were expressed with IC50 µM and 4f was the most potent with an IC50 of 26.53 µM, followed by 4d (30.48 µM) and 4h (37.83 µM).
Copyright (c) 2026 Parmeshwar Vishnu Bankar Bankar Family, Dr. Mahesh G. Shioorkar https://creativecommons.org/licenses/by/4.0
Structural, Spectroscopic, Thermal, Wavefunction, DFT, Antibacterial and Molecular Docking Investigations on Ethyl 3,4-dihydroxy Benzoate: A Promising Anticancer Agent
In this study, ethyl 3,4-dihydroxybenzoate (EDB) was investigated through both experimental and density functional theory (DFT) approaches. The optimized molecular geometry was compared with the available single-crystal X-ray diffraction (XRD) data. The FT-IR and FT-Raman spectra were recorded and correlated with the theoretically calculated vibrational wavenumbers, and the potential energy distribution (PED) contributions were analyzed. The UV-Vis absorption spectrum was recorded in the range of 200-800 nm and compared with the results obtained from time-dependent DFT (TD-DFT) calculations. Charge transfer interactions within the molecule were examined using natural bond orbital (NBO) analysis. Thermogravimetric and differential thermal analyses (TG-DTA) were performed to evaluate the thermal stability and decomposition behavior of EDB. Furthermore, frontier molecular orbital (HOMO–LUMO) analysis, electron–hole pair analysis, electron localization function (ELF), localized orbital locator (LOL) and reduced density gradient (RDG) analyses were carried out using the Multiwfn program to gain deeper insight into the electronic structure and intermolecular interactions of the molecule. The antibacterial activity of EDB was evaluated against different bacterial strains, and the minimum inhibitory concentration (MIC) values were determined. In addition, molecular docking studies were performed using AutoDock software to investigate protein–ligand interactions and to assess the potential anticancer activity of EDB against breast and lung cancer targets.
Copyright (c) 2026 S. Asokan, S. Sebastian, S. Sylvestre, S. Silvan, R. Sagayaraj, S. Vanitha https://creativecommons.org/licenses/by/4.0
Phytochemical Profile and Biological Activities of Ficus carica Latex from the West Bank, Palestine
Ficus carica, commonly known as the fig tree, is widely cultivated across many regions of the world, particularly in the Middle East, due to its nutritional, medicinal and economic importance. The latex of this tree is a milky white sap that can be found in all tissues, particularly the unripen leaves and fruits. In this study, fig latex collected from the West Bank of Palestine was extracted using 100% ethanol, 70% ethanol, 80% methanol and ethyl acetate. Antioxidant activity assessed by the DPPH assay showed high inhibition for 80% methanol (79.5 ± 1.4%) and 70% ethanol (71.1 ± 1.5%), moderate inhibition for 100% ethanol (66.3 ± 1.6%) and low inhibition for ethyl acetate (20.2 ± 1.3%), compared with vitamin C (94.0 ± 1.5%). Antibacterial testing revealed activity of the 70% ethanol extract against Escherichia coli only, with no activity against Staphylococcus aureus or Staphylococcus epidermidis. HPLC analysis identified gallic acid, p-coumaric acid, ellagic acid, rutin, quercetin and trace levels of sinapic acid and chrysin.
Copyright (c) 2026 Fuad Al-Rimawi, Aya Mahamda, Wadie Sultan, Michel Hanania https://creativecommons.org/licenses/by/4.0
Synthesis of Bi3+ Co-doped ZnO:Eu3+ Nanophosphors: Enhanced Photoluminescence and Photocatalytic Activity
Pure ZnO, Eu3+ (3 at.%) doped ZnO, Bi3+ (3 at.%) doped ZnO and Bi3+ (1, 3 at.%) co-doped ZnxO:Eu3+ (3 at.%) have been synthesised through the co-precipitation method at 25 ºC, with ethylene glycol as a capping agent. The crystallite sizes, estimated using the Scherrer equation, ranged from 8-11 nm and were consistent with TEM observations. FTIR analysis confirmed the presence of characteristic Zn–O, O–H and CH2 stretching vibrations associated with ethylene glycol. Furthermore, incorporation of dopants into the ZnO lattice led to a reduction in the optical band gap from 3.07 to 2.85 eV, as determined from Tauc plot analysis, indicating enhanced visible-light absorption. Sensitised Bi3+ (1, 3 at.%) co-doped ZnxO:Eu3+ (3 at.%) samples enhanced its absorption peaks at 464 nm (7F0→5D2) and 394 nm (7F0→5L6) of Eu3+ transition. The photoluminescence emission intensity of Eu3+, observed at 615 nm (5D0→7FJ, where J = 0, 1, 2, 3 and 4), is enhanced through Bi3+ doping than under direct Eu3+ excitation. Bi3+ (3 at.%) co-doped Zn0.94O:Eu3+0.03 has demonstrated promising photocatalytic activity in the degradation of crystal violet dye under UV exposure.
Copyright (c) 2026 Kangjam Misheshwori Devi, Henam Sylvia Devi, R.K. London Singh https://creativecommons.org/licenses/by/4.0
Development and Validation of Green CPSE-LC-MS/MS Analytical Method for Forensic Identification of Zolpidem in Beverage Matrices
Zolpidem, a broadly prescribed Z-sedative hypnotic drug used for short-period management of insomnia. Recently, zolpidem gained forensic importance due to its misuse in drug facilitated sexual assault cases, which necessitates the development of reliable analytical method. In present study, the eco-friendly analytical method based on cellulose paper sorptive extraction coupled to liquid chromato-graphy tandem mass spectrometry (CPSE-LC-MS/MS) was developed for the detection of zolpidem in water, alcoholic and non-alcoholic beverages. The ideal optimised extraction parameters include: pH 9, vortex and ultrasonication time 90 sec and 12.5 min, extraction time - 6 min, elution solvent (isopropanol) 1.5 mL and 7 pieces of filter paper (1.5 cm × 1.5 cm). The chromatographic separation performed using binary mobile phase: 0.1% formic acid in Milli-Q (solvent A) and 0.1% formic acid in acetonitrile (solvent B). As a result, excellent linearity from 1.325-1000 ng mL–1, (R2 = 0.9992), LOD and LOQ of 0.095 and 0.317 ng mL–1, respectively. The intra-day and inter-day precision were below 7.26% and recovery ranged from 84.46 to 108.02%. Additionally, the environmental sustainability of the method was assessed through MoGAPI, BAGI and RGB 12 model, confirming the greenness of the method. Developed analytical method is more accurate, reliable and green(er) for the forensic investigations of zolpidem in the samples.
Copyright (c) 2026 Lalit Chandravanshi, Amrita Yadav, Chandni, Himanshu Yadav, Bharti Jain https://creativecommons.org/licenses/by/4.0
Measurements of L1 and L2 Subshell Fluorescence Yields for Dy at 22.6 keV Incident Photon Energy
The L1 and L2 subshell fluorescence yields have been deduced from the measured cross sections for production of Ll, Lα, Lβ1,4, Lβ3,6, Lβ2,15,9,10,7, Lγ1,5 and Lγ2,3,4 x-rays of Dy66 at 22.6 keV incident photon energy. These measurements were performed using a sealed point (3mm φ) radioactive source of Cd109 (20 mCi) as a photon source and Peltier cooled x-ray detector arranged in reflection geometry. The present deduced values of fluorescence yields are compared with the DHS model based theoretical values, the semi-empirical values, and those recommended by Campbell.
Li(i=1-3) sub-shell X-ray Relative Intensities for some Elements
The intensity ratios, ILk / ILα1 (k = l,η,α2 ,β1,β2,15 ,β3 ,β4 ,β5,7 ,β6 ,β9,10 ,γ1,5 ,γ6,8 ,γ2,3 ,γ4 ) have been evaluated for some elements with 36≤Z≤92 at incident photon energies ranging EL1 < Einc ≤ 200 keV using currently considered to be more reliable theoretical data sets of different physical parameters, namely, the RHFS model based Li(i=1-3) sub-shell photoionisation cross sections, the DF model based X-ray emission rates and the DHS model based fluorescence and Coster-Kronig yields. The important features pertaining to dependence of the calculated intensity ratios on the incident photon energy and atomic number (Z) have been discussed.
Abnormal reversal of V/R ratio of Hα line in the shell star HD 142983
In this communication we report the spectroscopic observations of Hα line profiles of HD 142983. The star showed very interesting behavior at Hα line. The Hα line was found to be strongly in emission displaying two emission peaks. The V emission component of the line was found to be much stronger than the R emission component.We have also collected other available data on Hα line from the literature to explore the variation of this line. Our data combined with others exhibited very interesting behavior. During the year 2001 the V component was smaller than the R component (i.e. V/R<1); during 2003 the V and R components became almost equal (i.e. V/R~1) and during 2004 the V component became larger than the R component (i.e. V/R>1). Our present investigation shows that during the period 2001-2007, this star underwent an abnormal reversal of V/R ratio. From the line profiles we have measured the important parameters like: equivalent width (W), Ip/Ic ratio and V/R ratio.
A Gamma Scattering Technique for Inspecting Density Variation
Compton scattering, strongly depends on the electron density of the scattering medium (and in turn its mass density), is a viable tool for inspecting material. The aim of the present work is to investigate the feasibility of using gamma-ray scattering to inspect density variation in any object. A well collimated beam of 662 keV gamma-rays from 137Cs radioactive source has been used to extract the information of density variation for interior of sample by recording spectra with NaI(Tl) scintillation detector. The results confirm that experimental resolution for density variation in the inspected object is quite good.
Investigation of Electron Capture after- Effects and Environmental Changes in some Barium Compounds with 133Ba Nuclear Probe
Perturbed angular correlation parameters in various compounds of barium are measured to investigate influences of chemical and physio-chemical environments in the K-capture decay of 133Ba to 133Cs. It is found that the correlation coefficients of 356-81 keV cascade are attenuated purely as a matter of half-life (T1/2 = 6.36 ns) of 81 keV intermediate state and the electric field gradients available at the probe site. The results are a step forward to establish insignificance of after-affects preceding K-capture and K-conversion.
Depth Dependence Radon Study in Indian Tube-Wells
Radon a radioactive gas arising from decay of 226Ra, has been recognized to be one of the major contributors to the natural radiation. In the present investigations, measurements of radon and its progeny were carried out under ground in Indian tube-wells at different depths situated at A.M.U., Aligarh (U.P) India. The twin chamber dosimeter cups were fixed for exposure at a depth of 5 to 35 feet with difference of 5 feet from the surface at three different locations. After exposure, the detectors were retrieved, etched and analyzed in the laboratory for the calculation of radon and its progeny. All the values of the radon concentration presents in this paper are higher than the action level (200-600 Bq.m-3) as recommended by ICRP.
Comparative Evaluation of UV / Solar Light Induced Photode gradation of Azo Dye in Aqueous Solutions
In present study, photocatalytic degradation of Acid Orange 7 (AO7), an anionic dye has been investigated in a batch reactor using titania P-25 (surface area: 50 m2/g) as a photocatalyst under UV/Solar light in slurry mode. The variables studied include catalyst dose, solution pH and dye concentration. The degradation rate of AO7 was favorable at pH 2. Optimum value of catalyst dose was found to be 1g/l. The disappearance of AO7 obeyed first order kinetics and the value of the rate constant k was 1.1 X 10-4 S-1. COD analysis revealed the mineralization of AO7 on TiO2 surface. The complete degradation of AO7 was achieved in 15 h under UV irradiation, whereas under solar light, AO7 was degraded completely in 55 minutes only.
Study of CK Enhancement Factors for Oxygen Induced L Subshell X-rays in Lanthanum Series (58 ≤ Z ≤ 70)
CK Enhancement Factor (kα,l, kβ and kγ) has been studied for Lanthanum series (58 ≤ Z ≤ 70) with oxygen as projectile in the energy range of 1.5 - 3.5 MeV. It is observed that by changing projectile energy, there is a change in enhancement factor for all the elements. While studying the variation of enhancement factor with atomic number (Z) and the energy of projectile element, it is found that there is an irregular trend in the variation of enhancement factor. The maximum value of enhancement factor is 2.3126 in Nd (Z=60) at 1.5 MeV energy. In all the elements there is a decrease in the enhancement factor with increase in energy of projectile. The value of kα,l enhancement factor is found to be maximum in all cases followed by kβ and kγ.
Study of Neutron Induced Modification on Optical Band Gap of CR-39 Polymeric Detector
Neutron- irradiation effects on optical absorption of solid-state nuclear track detector, CR-39 was studied for the various fluences ranging from 2.38x106 to 2.7x108 n/cm2 by ultraviolet-visible (UV-Vis) spectroscopy. The optical absorption spectra in the wavelength range of 200-700nm were recorded for the pristine and the neutron irradiated samples in the above fluence range. The UV-visible spectra shows a shift in the absorbance edge towards the higher wavelength, which can be correlated to the transition involved in the CR-39 polymer and variation in the band gaps (Eg) using Tauc’s expression. Both the indirect and direct band gap in pristine and neutron irradiated CR-39 have been studied, it is interesting to note that the values of indirect band gap found to be lower then the corresponding values of the direct band gap. Indirect and direct bandgap of pristine and exposed CR-39 was found increasing with increasing fluences. However values of the indirect band gap found lower than that of direct band gap. A decrease in the optical energy gap with increasing fluence can be discussed on the basis of neutron-irradiation defects in CR-39 and the numbers of carbon atoms in a cluster were determined from UV-visible spectra of the neutron irradiated samples, using Tauc’s expression.
Indoor Radiation Levels Enhanced by Underground Radon Diffusion
The indoor radiation exposure to humans is mainly due to radioactive radon gas and emissions from building construction materials. Its transport mechanism therefore calls for innovative investigations. There are three main factors of radon entrance in to a building environment are: a) Emission of radon from building materials used in construction b) By convection through cracks and openings in the building and c) Diffusion from soil through pore space of construction materials. The transport phenomenon of radon through diffusion is a significant contributor to indoor radon entry. The diffusion of radon in dwellings is a process mainly determined by the radon concentration gradient across the building material structure between the radon source and the surrounding air. Keeping this in mind the radon diffusion studies have been made through soil, brick powder and cement. Simultaneously the indoor radon levels have been measured in dwellings with cemented, bricks and soil flooring.
Activity Measurements and Dependence of Radon Exhalation Rate on Physical Sample Parameters in Soil Samples
The measurements of radon concentration and exhalation rates usually consist of measurements of radon contents in an emanation chamber (can) containing a certain sample of material under investigation as a function of radon growth time. The procedure seems to be simple. However, results of radon exhalation rates measurement of the same investigated material strongly depend on physical sample parameters and that is why the results from different laboratories usually differ. In the present paper, we have reported on some factors such as sample mass and sample granulation on the radon exhalation rate measurements. To investigate the effect of above mentioned factors, we have used can technique.
Empirical Relations for Matrix Effects in Synthetic Thick Samples Comprising Low Z Elements
In x-ray fluorescence, matrix effects disturb the proportionality between characteristic x-ray intensity of an element and its amount in the sample. To find relations for matrix effects of thick samples comprising low Z elements, the absorption term1 for selective analyte ‘a’ x-rays and enhancement term1 for analyte ‘c’ x-rays in the presence of enhancer a in the sample are experimentally evaluated and empirically correlated with elemental amounts in a category of samples. The correlations are independent of measured x-ray counts.
Coster-Kronig Corrected Experimental and Theoretical Alignment Parameter for Tungsten-a Comparison
An attempt has been made to study the effect of Coster-Kronig (CK) fij correction on alignment parameter (A20) calculated by measuring angular distribution of L x-rays of tungsten (W) in the angular range 0° to 120° at 17.781 keV, the energy that is above L1 edge of W where CK transitions shift the vacancies from L1 and L2 states to L3 state. The experimental CK corrected alignment parameter is compared with the same calculated using non-relativistic dipole approximation in a point Coulomb potential. It is found that the value of alignment is increased by ~32 % of its value by including this CK correction in experimental calculations.
Contribution of CK Transfer to Proton induced L Subshell X-Ray Production Cross-Sections for Direct and Indirect Vacancies
The contribution of CK transfer to the proton induced L subshell X-ray production cross-sections due to both direct and indirect vacancies has been determined for the elements Pb & Th at incident proton energies ranging from 1 MeV to 10 MeV. The contribution for direct vacancies (without K to L transfer) was estimated by calculating the X-ray production cross-sections in absence of CK transfer, while for indirect vacancies, it was assumed that the L subshell X-rays were emitted only due to vacancies transferred from K to Li subshells. It has been observed that for X-rays resulting from direct vacancies, the contribution of CK transfer initially decreases with increase in energy and thereafter increases in both the cases. This contribution has been found to be up to 20% & 17% in Pb and Th respectively for Ll & Lα X-ray groups. In case of X-rays from indirect vacancies, there was no regular trend at lower energies and thereafter the contribution becomes almost constant.