Ce[N(SiMe3)2]3(THF)3-catal yzed hydroboration of CO2, esters and epoxides with pinacolborane: selective synthesis of methanol in multigram scale - Hossain, Md Jabed; Shah, Brij Kumar; Dash, Soumya Ranjan; Vanka, Kumar; Khan, Shabana (Chemistry-A European Journal, 2025)
In this work, we have reduced CO2 with HBpin to afford borylated methanol product selectively in similar to 99 % yield using Ce[N(SiMe3)(2)](3)(THF)(3) as a catalyst. This led to multigram scale isolation of methanol obtained from CO2 reduction via the hydrolysis of borylated methanol, this establishes the potential of Ce[N(SiMe3)(2)](3)(THF)(3) as an efficient homogeneous catalyst for the bulk scale methanol synthesis. A practical application of this catalytic system was also shown by reducing CO2-containing motorbike exhaust efficiently and selectively. Further, C-O bond activation of esters and epoxides using HBpin and 1-2 mol % of Ce[N(SiMe3)(2)](3)(THF)(3) at 60 degrees C afforded the borylated alcohols in good to excellent yields, which can easily be hydrolysed to the eco-friendly corresponding alcohol. The stoichiometric experiments were performed to prove the formation of in-situ generated cerium hydride [Ce]-H as an active catalyst.
Keywords: Cerium; CO2 reduction; Epoxide; Ester; Hydroboration; Lanthanides

Characterization of a novel Tequatrovirus phage from pristine stretch of the Ganges River, India, in reducing bacterial load from sewage water - Samson, Rachel; Pawar, Ameya; Khairnar, Krishna; Dharne, Mahesh (Journal of Environmental Chemical Engineering, 2025)
Effective treatment of wastewater (WW) and its reuse is necessary to meet certain sustainable development goals and a circular economy. Escherichia coli is one of the primary contaminants in the WW, and its extra-intestinal occurrence poses a considerable threat under one health. This study is the first report of a novel broadspectrum phage (& fcy;ERS-1) isolated from a pristine stretch of the Ganges River in the biocontrol of E. coli, resistant to 3rd-and 4th generation cephalosporins and aztreonam. This is the first report of a phage from the Tequatrovirus genus to infect P. aeruginosa. The & fcy;ERS-1 could reduce the abundance of E. coli cells by 8.22 log10 CFU/mL <= 24 hrs. Additionally, phi ERS-1 disrupted the biofilm of E. coli with a reduction of 3.88 log10 CFU/mL. Further, phi ERS-1 could inhibit biofilm by multiple strains of E. coli (ATCC 8739, 25922, 43888) and multiple generaincluding E. coli ATCC 8739, Shigella boydii ATCC 9207, P. aeruginosa (ATCC 9027). The phage phi ERS-1 reduced bacterial counts in raw WW by 2 log10 CFU/mL and 4 log10 CFU/mL reduction in coliform-enriched WW in <= 24 hours. Overall, this study suggests that phi ERS-1 could be used as an effective alternative to be combined with other treatments for improving the quality of WW disposal and environmental health by reducing the bacterial load.
Keywords: Antibiofouling; Biofilm; Coliform; Ganges; Green approach; Phages; wastewater

Characterization of novel phages KPAФ1, KP149Ф1, and KP149Ф2 for lytic efficiency against clinical MDR Klebsiella pneumoniae infections - Dandekar, Shraddha S.; Thanikkal, Sinta; Londhe, Arti; Bhutada, Pankhudi; Saha, Ujjayni; Pawar, Shubhankar; Samson, Rachel; Dharne, Mahesh; Saroj, Sunil D.; Koratkar, Santosh (Microbial Pathogenesis, 2025)
Phage therapy offers a promising approach to the increasing antimicrobial resistance of Klebsiella pneumoniae. This study highlights three novel lytic bacteriophages-KPAc1, KP149c1, and KP149c2-targeting multidrugresistant (MDR) K. pneumoniae. These phages belong to the Myoviridae and Podoviridae family and demonstrate their efficacy and stability across a wide range of temperatures (up to 60 degrees C) and pH levels (pH 4 to 11). Genomic analysis reveals that they are free from virulence, toxicity, and antimicrobial resistance genes, making them promising candidates for therapeutic use. Among these phages, KPAc1 showed the highest lytic activity with a 26.15% lysis against MDR K. pneumoniae isolates. Additionally, a phage cocktail comprising all three phages improved lytic efficacy to 32.30%. This study also examined the antimicrobial resistance profiles of K. pneumoniae isolates, emphasizing the critical need for alternative treatments. By effectively targeting resistant strains, these phages offer a potential candidacy to be used as a viable alternative or a complementary antimicrobial agent to traditional antibiotics, opening up the possibility for advanced phage-based therapies. The promising results from this study pave the way for developing new treatments that could significantly improve patient care and outcomes from the growing issue of resistant bacterial infections.
Keywords: Antimicrobial resistance; Bacteriophage; MDR-Klebsiella pneumoniae; Phage cocktail; Phage therapy

Characterization of S-homocysteinylation of Human Insulin and Its Implications in Diabetes - Sheikh, Amreen B.; Jathar, Swaraj M.; Tammara, Vaishnavi; Das, Atanu; Kulkarni, Mahesh J. (Protein Journal, 2025)
Homocysteine thiolactone is a reactive thiol known for its interaction with various proteins. Nevertheless, there exists a paucity of information concerning the interaction between homocysteine thiolactone and human insulin, particularly regarding the mechanism by which homocysteine facilitates the reduction of disulfide bonds within insulin. In the present study, we have elucidated the binding sites of homocysteine to the cysteine residues (A6-B7 and A20-B19) that are implicated in the formation of intermolecular disulfide bonds in insulin through an in vitro reaction analyzed via LC-ESI MS/MS. This results in a reduction of disulfide bonds linking the A and B chains, which was corroborated by MALDI-TOF-MS and ESI-MS analysis. The secondary structure of insulin is affected by this modification, as evidenced by circular dichroism spectroscopy. In-silico studies also show that homocysteine affects the insulin structure. A glucose uptake assay conducted in Chinese hamster ovary (CHO) cells that stably express the insulin receptor revealed that HC-modified insulin is less effective in inducing glucose uptake compared to native insulin, suggesting that HC-induced structural modifications in insulin influence functional activity. This study provides insight into the HC-induced structural and functional changes in insulin and discusses the consequent implications for diabetes.
Keywords: Disulfide bonds; Homocysteinylation; insulin; Mass spectrometry

Characterization of wound-induced electrical signals and reactive oxygen species in chickpea (Cicer arietinum) - Deshpande, Shweta; Pawar, Shivani; Kumari, Archana (Plant Signaling & Behavior, 2025)
Mechanical damage to plants triggers both localized and systemic responses that activate plant defense mechanisms. Early signaling events include calcium (Ca2+) flux, reactive oxygen species (ROS), and electrical alterations. These signals coordinate downstream defense pathways, enabling plant acclimation to biotic stress. Electrical signaling following wounding/herbivory has been extensively studied in Arabidopsis; however, its dynamics in crop plants such as chickpea (Cicer arietinum) are not well understood. The pattern of the SWP in chickpea was similar to that in Arabidopsis but with a longer repolarization phase and was detectable only within the leaflets. The signals generated by damaging the leaflet were more pronounced, propagated bidirectionally and varied between herbivore-susceptible and tolerant chickpea varieties. The SWP duration is correlated with increased expression of AOS and OPR3 transcripts, which are markers of the stress hormone JA. Additionally, ROS production in wounded chickpea leaflets is associated with increased expression of ROS-generating genes. The use of DPI, an inhibitor of NADPH oxidase, which is responsible for ROS production, inhibited SWP, suggesting the crucial role of ROS in wound-induced SWP. This study provides insight into the interplay between wound-induced electrical signaling and ROS production in chickpea and proposes the measurement of electrical signals as a rapid, noninvasive approach for screening crop cultivars for pest susceptibility and tolerance.
Keywords: Chickpea; Electrical signal; Plant defense; ROS; wound

Charge transfer effect on relaxation mechanism in hydrated pyrrole-water systems following N-2s ionization - Kumar, Ravi; Bhattacharjee, Kankana; Ghosh, Aryya; Vaval, Nayana (ChemPhysChem, 2025)
This study investigates the relaxation mechanisms of pyrrole and pyrrole-water clusters (C4H5N-(H2O)n, where n=0-3 \${n = 0 - 3}\$ ) following N-2s ionization of pyrrole. Using various theoretical methods, we focus on the influence of water molecules and charge transfer on these non-radiative relaxation pathways. Our simulations included pyrrole solvated in 494 explicit water molecules equilibrated at 300 K and also employed a polarizable continuum model (PCM) to make the system more realistic and gain additional insights. In hydrated environments, the hydrogen bonding network between pyrrole and surrounding water molecules facilitates enhanced non-radiative relaxation pathways following inner valence ionization. Since these are hydrogen bonding systems, we have explored the possibility of proton transfer, which could occur in conjunction with other electronic decay processes.
Keywords: ab initio-calculations; auger decay; charge transfer; proton transfer; pyrrole

(Chiro)optical Properties of π-Extended Spiro-Double Carbo[7]helicene - Kumar, Viksit; Dongre, Sangram D.; Vandhanam, Aparna; Jadhav, Ashok Badrinarayan; Kumar, Jatish; Babu, Sukumaran Santhosh (Journal of Physical Chemistry Letters, 2025)
Helical nanographenes are a fascinating class of pi-extended chiral nanocarbons, where structural helicity imparts intrinsic chirality and unique optoelectronic properties to the rigid carbon framework. In this work, we synthesized a hexa-peri-hexabenzocoronene-based pi-extended spiro-double carbo[7]helicene. The helical distortion of the structure was unambiguously confirmed by X-ray crystallography. The optical properties were explored through UV-Vis absorption, fluorescence, and phosphorescence measurements, complemented by density functional theory (DFT) calculations. Remarkably, the pi-extended spiro-double carbo[7]helicene exhibited thermally activated delayed fluorescence (TADF) at room temperature and phosphorescence at low temperatures. Chiral HPLC successfully resolved the enantiomers into three fractions: (PP), (MM), and the meso forms (PM)/(MP), and chiroptical studies of the pure enantiomers revealed a moderately high g lum value of 1.58 x 10-3. Finally, the origin of the observed dissymmetry factors was rationalized by analyzing the transition electric dipole moments (TEDM) and transition magnetic dipole moments (TMDM) derived from time-dependent density functional theory (TD-DFT) calculations.

Chiroptical amplification of [7]-helicene nanographene by additional helical chirality - Dongre, Sangram D.; Venugopal, Geethu; Kumar, Viksit; Badrinarayan Jadhav, Ashok; Kumar, Jatish; Babu, Sukumaran Santhosh (Angewandte Chemie-International Edition, 2025)
Nanographenes have captivated scientific interest since the pioneering discovery of graphene. Recently, attention has shifted towards exploring chiral and nonplanar nanographenes, for their distinct optical, chiroptical, and electronic properties. Despite the growing acceptance of helicenes, the research on inducing helical chirality on pi-extended derivatives to boost chiroptical properties remains unattended. In our study, we introduce a new pi-extended [7]-helicene resulting from the condensation of diamines with 3,6-dibromophenanthrene-9,10-dione, complemented by two hexabenzocoronene arms in the periphery. Notably, the nanographene containing binaphtho-[1,4]diazocine, compared to the corresponding phenazine, exhibits a remarkable average 2.5, 5, and 10-fold enhancements in quantum yield, dissymmetry factor, and brightness, respectively, when measured in five different solvents. These improvements underscore the significance of the induced helical chirality by the antiaromatic binaphtho-[1,4]diazocine in influencing the chiroptical properties of the helical nanographene. Our research represents a significant stride toward unlocking the potential of pi-extended helicenes and lays the groundwork for further exploration in designing and synthesizing new chiral nanomaterials.
Keywords: circularly polarised luminescence; dissymmetry factor; helicene; nanographene; quantum yield

Chitosan-derived carbon supported ruthenium catalyst for efficient hydrogenation of levulinic acid to γ-valerolactone - Korampattu, Lavanya; Dhepe, Paresh L. (Sustainable Energy & Fuels, 2025)
The transition from fossil fuels to sustainable energy and chemical production relies heavily on efficient biomass valorization. Levulinic acid (LA), a key platform chemical from lignocellulosic biomass, serves as a versatile precursor for valuable chemicals like gamma-valerolactone (GVL), a promising green solvent, fuel additive, and polymer precursor. While ruthenium-based catalysts are effective for LA hydrogenation, conventional systems like Ru/C often suffer from metal leaching and deactivation due to weak metal-support interactions. Current approaches to improve stability, such as using nitrogen-doped carbon supports, involve complex synthesis and synthetic nitrogen precursors. Addressing these limitations, we present a facile and sustainable strategy for synthesizing a robust ruthenium catalyst by directly pyrolyzing marine biomass-derived chitosan to form a self-nitrogen-doped carbon support. This catalyst exhibited superior stability and excellent recyclability in the aqueous-phase hydrogenation of LA to GVL, surpassing conventional Ru/C while maintaining activity comparable to that of leading Ru catalysts supported on N-doped carbon. Unlike other N-doped carbon supports, our method avoids synthetic N-dopants and tedious procedures, making it inherently more sustainable. Detailed characterization via XPS and H2-TPR revealed strong metal-support interactions, facilitated by intrinsic nitrogen functionalities, effectively stabilizing the ruthenium species. This study also identifies the critical role of graphitic and pyridinic nitrogen species in controlling catalytic activity and elucidates the importance of optimizing nitrogen species and content in tailoring chitosan-derived supports. The proposed mechanism describes how Ru-N centers activate hydrogen and LA, with basic nitrogen sites aiding the dehydration step to GVL. Overall, this work features the potential of chitosan derived carbon as a sustainable and tunable support for efficient biomass hydrogenation catalysts and offers fundamental insights into the role of nitrogen doping in tailoring catalytic performance.

Chlorophobic iron hydrogen phosphite as OER-active electrocatalyst in anion exchange membrane (sea)water electrolysis - Das, Chandni; Sinha, Nibedita; Nair, Aathira; Pal, Santanu; Joshi, Kavita; Roy, Poulomi (Small, 2025)
Seawater electrolysis is recognized as a promising technology to cater to the worldwide drive for sustainable hydrogen production; however, its practical viability is often hindered by the inevitable anode corrosion arising from the electrode side reactions owing to the presence of high chloride content which eventually degrade the electrode performance eventually. Herein, the design of unprecedented ammonium iron hydrogen phosphite (FeHPhi) along with a trace amount of Cu, is reported as the unique and much desired electrode material for seawater electrolysis due to its special chloride repellant nature along with great electrocatalytic activity toward water oxidation. The [HPO3](2-) oxoanion as Lewis base in the structure effectively restricts chloride ions, while the Fe center acts as Lewis acid offering an active site for water oxidation, also well-supported theoretically. Leveraging this frustrated Lewis pair combination, the electrocatalyst achieves a high current density of 500 mA cm(-2) at 344 mV overpotential in alkaline real seawater with impressive robustness to sustain for 200 h when operated under chlorine evolution reaction dominating region (>2 V). The electrocatalyst also demonstrates superior performance in anion exchange membrane freshwater and seawater electrolysis, demonstrating its potential applicability.
Keywords: AEM electrolyzer; chloride repellant; electrocatalyst; hydrogen production; seawater oxidation

Clove essential oil-supported disposable in-tip cellulose paper (DICP) device for facile extraction of anesthetic drugs from postmortem samples: a white analytical toxicology (WAT) approach - Jain, Rajeev; Shivankar, Bhavana R.; Krishnamurty, Sailaja; Al-Khateeb, Lateefa A.; Sheetal, Sarah; Alharthi, Sarah (Sustainable Chemistry and Pharmacy, 2025)
A novel disposable in-tip cellulose paper (DICP) device, enhanced with clove essential oil (CEO), was developed for the extraction of four anesthetic drugs (lidocaine, prilocaine, ropivacaine, and bupivacaine) from postmortem blood and urine samples. The DICP device, equipped with 1 x 3 cm CEO-impregnated cellulose paper (CP) strips (prepared via a simple dip-coating process), is attached to a 1000 mu L micropipette. The findings from density functional theory (DFT) study reveals that CEO-impregnated cellulose demonstrates stronger and more diverse interactions with anesthetic drugs, as evidenced by more negative adsorption energy (-0.62 eV) and enhanced non-covalent interactions compared to cellulose alone. The procedure involves aspirating and dispensing diluted biological samples through the DICP device for 30 cycles, adsorbing the analytes onto the CEO-impregnated CP strips. The adsorbed analytes are subsequently eluted with 0.5 mL of ethyl acetate through 40 aspirating-dispensing cycles and analyzed by GC-MS. The method achieved limits of quantification as low as 0.01 mu g/mL, with intra-day and inter-day precisions below 10.2 % and 14.6 %, respectively, and accuracy ranging from 90.5 % to 110.7 %. Relative recoveries ranged from 66 % to 87.6 %, while matrix effects remained consistently below 11.9 %. The DICP-GC-MS method demonstrated exceptional sustainability, achieving a whiteness score of 97.2 %, underscoring its alignment with green analytical chemistry principles and operational simplicity. Applicability was demonstrated through the successful analysis of postmortem cardiac blood in a suspected anesthetic drug overdose case, highlighting its potential as a robust, high-throughput, and eco-friendly approach for routine forensic toxicological screening.
Keywords: Anesthetic drugs; Clove essential oil; Disposable in-tip cellulose paper (DICP) device; Green sample preparation; White analytical toxicology (WAT)

CoBr2-catalyzed straightforward synthesis of quinoxalines via dehydrogenative coupling strategy - Dubey, Shivansh; Punji, Benudhar (Chemistry-an Asian Journal, 2025)
Establishing a benign and straightforward protocol for synthesizing biorelevant and synthetically valuable quinoxaline is very important. Herein, we report a simple and efficient protocol for the sustainable synthesis of diverse quinoxaline derivatives catalyzed by cobalt salt. The reaction proceeds through the dehydrogenative coupling of alkyl and aryl ethane 1,2-diols with aryl diamines in the presence of a catalytic CoBr2/K2CO3. The usage of the greener solvent 2-MeTHF and the release of H2 and H2O as the sole byproducts make the process advantageous. The protocol led to the synthesis of diverse quinoxalines bearing synthetically useful functionalities, such as fluoro, chloro, bromo, cyano, trifluoromethyl, and ether. The reaction is presumed to proceed via the dehydrogenative-condensation pathway involving a cobalt-hydride intermediate.
Keywords: cobalt; dehydrogenative coupling; heterocycles; ligand-free process; Quinoxaline

Cocrystals of the green fluorescence protein chromophore analogue: coformer-induced switch between AIE and ACQ - Suresh, Sneha; Dabke, Niteen B.; Pandya, Rinu; Vanka, Kumar; Dutta, Madhusudan; Gonnade, Rajesh G. (Crystal Growth & Design, 2025)
Fluorescent organic solids hold great potential for advancing photonics applications. However, tuning their solid-state photoluminescent emissions remains a significant challenge. In this study, we report the synthesis and characterization of five cocrystals (two cocrystal polymorphs) derived from a pristine imidazolinone derivative (A) and the various coformer molecules, namely 1,2,4,5-tetrafluoro-3,6-diiodobenzene, 1,2,4,5-tetrafluoro-3,6-dibromobenzene, perfluoronaphthalene, and 3,4,5-trifluorobenzoic acid. The structural and optical properties of these cocrystals were examined by using single-crystal X-ray diffraction, absorption spectroscopy, photoluminescence spectroscopy, and photoluminescence decay spectroscopy. Cocrystals I, II, and III are isomorphous pairs and exhibit three-dimensional isostructurality, where the coformer molecules bridge adjacent helices of compound A, leading to aggregation-induced emission. In contrast, the cocrystal polymorphs IVA and IVB developed using coformer 3,4,5-trifluorobenzoic acid form two-dimensional sheet-like structures mediated by pi-stacking interactions between the coformers and molecule A, with interplanar distances ranging from 3.2 to 3.5 & Aring;. These stronger pi-pi interactions promote nonradiative decay pathways, resulting in reduced or quenched fluorescence and an aggregation-caused quenching effect. To gain further insights into their electronic properties, theoretical analysis including frontier molecular orbitals, time-dependent density functional theory, Hirshfeld surface analysis, molecular electrostatic potential, and noncovalent interaction plots were performed.

Cocrystals of the highly potent sickle cell anemia drug voxelotor with trimesic acid: a substantial enhancement in in vitro dissolution performance at physiological pH - Khan, Akram A.; Shaikh, Tabrez R.; George, Christy P.; Gonnade, Rajesh G. (Crystal Growth & Design, 2025)
Global Blood Therapeutic's (GBT's) Voxelotor is an investigational oral therapy for treating sickle cell anemia. It functions by increasing the affinity between hemoglobin and oxygen, thereby preventing the sickling of red blood cells and altering the disease's pathology. The US FDA has approved Voxelotor for the treatment of sickle cell anemia and granted it an orphan drug status. However, Voxelotor is classified as a BCS class II, indicating poor water solubility. The current study explores the enhancement of Voxelotor's water solubility by forming cocrystals with trimesic acid (TMA). Novel cocrystals, cocrystal solvates, and hydrates of Voxelotor (Vox) with trimesic acid (TMA) have been developed to improve their solubility. The new solids were characterized using PXRD, DSC, TGA, XPS, HSM, and single-crystal X-ray diffraction studies, and the intermolecular interactions were quantified using Hirshfeld surface analysis. Detailed crystallographic analysis revealed strong O-H center dot center dot center dot N hydrogen bonding interactions between Vox and TMA, primarily involving the COOH functional group of TMA and the pyridine or pyrazole groups of Vox. Additionally, TMA molecules participate in further hydrogen bonding-either with themselves or with solvates, including hydrates, through mono- or dimeric O-H center dot center dot center dot O H-bonding synthons. In vitro solubility studies demonstrated a significant increase in the solubility of Voxelotor in the Vox-TMA cocrystals compared to the pristine drug at physicochemical pH 4.5 and 6.8. Stability studies confirmed that the nonsolvated multicomponent crystal retains their structural integrity under nonambient conditions without undergoing polymorphic phase transitions. In contrast, the solvated crystals, including hydrates, undergo phase transitions within the temperature range of 100-130 degrees C, losing solvents and converting into one of the nonsolvated cocrystal forms. These findings suggest that the novel Vox-TMA cocrystals have the potential to enhance the therapeutic performance and clinical utility of Voxelotor.

Coke management: unveiling the role of Ce substitution in Gd2Zr1.8Ni0.2O7-δ catalyst for dry reforming of methane - Ghodke, Seema R.; Mule, Harshada M.; Bhatkar, Akash; Devi, R. Nandini (Energy & Fuels, 2025)
The redox characteristics of cerium have become crucial elements in the carbon gasification process during methane dry reforming. This work examines the effect of cerium substitution in the Gd2Zr1.8Ni0.2O7-delta catalyst during methane dry reforming, employing a range of Ce-substituted Gd2Zr1.8-x Ni0.2Ce x O7-delta (x = 0.1, 0.2, 0.5, 0.75) catalysts synthesized via the citrate gel method. The materials crystallized in a fluorite structure, as verified by X-ray diffraction analysis and Raman spectroscopy. Enhanced reducibility of the substituted catalysts was assessed through H2-temperature-programmed reduction analysis. CO2 and O2 desorption studies along with X-ray photoelectron spectroscopy validated the enhanced basicity and generation of active oxygen and hydroxyl species. The enhanced activity and coke gasification in Gd2Zr1.6Ni0.2Ce0.2O7-delta catalyst are attributed to surface hydroxyl species, and prominent intermediate carbonate and bicarbonate species were further verified by in situ infrared spectroscopy. The high basicity of the Gd2Zr1.6Ni0.2Ce0.2O7-delta catalyst and high concentrations of oxygen vacancies (similar to 66.4%) enhances CO2 adsorption and desorption, resulting in continuous CO2 activation, leading to less carbon formation and superior activity of the catalyst. The Gd2Zr1.6Ni0.2Ce0.2O7-delta catalyst exhibits the highest CH4 and CO2 conversion rates, at 85% and 93.5%, respectively, and remains stable for 100 h. Postreaction analysis of Gd2Zr1.6Ni0.2Ce0.2O7-delta confirms structure stability and less carbon formation compared to other substituted catalysts in dry reforming of methane. This study demonstrates that the moderate concentration of Ce in the Gd2Zr1.6Ni0.2Ce0.2O7-delta catalyst exhibits balanced activity and coke gasification capacity in the dry reforming of methane for a longer duration.

Comprehensive genomic analysis of bipolaris sorokiniana strains: insights into genetic diversity and pathogenicity - Shukla, Anand Kumar; Sahoo, Rosaleen; Kadoo, Narendra (Plant Pathology, 2025)
Bipolaris sorokiniana is an important plant-pathogenic fungus that primarily infects cereals, such as wheat and barley, causing diseases such as spot blotch, common root rot and seedling blight. This study presents a comprehensive comparative genomic analysis of nine B. sorokiniana strains based on 16 genomic parameters, including genome completeness, virulence factors, secondary metabolite biosynthesis, effector proteins and CAZymes, to explore their genetic diversity, genome assembly quality and pathogenic potential. Genomic assemblies of the strains LK93 and ND93-1 exhibited higher N50, L50, BUSCO completeness scores and gene annotations, and were designated as high-quality. Similarly, ND90Pr and BS112 demonstrated a rich arsenal of CAZymes and effector proteins, which indicated their greater infection potential. Variability in biosynthetic gene clusters, especially the presence of isocyanide-NRPS and fungal RiPP clusters, highlights the ecological adaptability and metabolic diversity of these strains. The study also revealed distinct protein family distributions and effector protein repertoires, supporting strain-specific pathogenic strategies. Phylogenetic analyses grouped the strains into three clusters, indicating evolutionary divergence and potential ecological specialisation. The findings of the study underscore the importance of high-quality genomic data and propose LK93 and ND93-1 as more reliable reference genomes for B. sorokiniana. Integrating transcriptomics, proteomics and pathogenicity data, along with expanded strain sampling and unified assembly pipelines, can enhance understanding of the molecular basis of pathogenicity and help develop suitable disease management strategies to control this agriculturally important pathogen.
Keywords: Cochliobolus sativus; comparative genomics; effector proteins; pathogen variability; Secondary metabolites; spot blotch

Comprehensive in vitro and in silico assessment of eugenol glycoconjugates against azole and amphotericin B resistant Rhizopus spp. - Sen, Pooja; Gupta, Lovely; Chauhan, Aastha; Goswami, Lakshmi; Bhattacharya, Asish K.; Sengupta, Abhishek; Vijayaraghavan, Pooja (Molecular Biology Reports, 2025)
Background Rhizopus spp. is a major cause of mucormycosis, a severe infectious disease with high morbidity and mortality. Treatment is challenging due to rising antifungal resistance. Glycosylation is a crucial technique for enhancing the properties of phenolic compounds like eugenol. The present study aims to examine the antifungal efficacy of eugenol glycoconjugates against azole and amphotericin B-resistant Rhizopus isolates. Methods and results Out of 50 soil samples, 12 isolates belonging to Mucorales were obtained, of which 7 were identified as Rhizopus spp. via 18S ITS sequencing. Antifungal susceptibility testing (AST) revealed that all Rhizopus isolates were resistant to amphotericin B (MIC > 1 mu g/mL). Most isolates also showed resistance towards posaconazole (MIC > 1 mu g/mL) and itraconazole (MIC > 2 mu g/mL). AST of eugenol glycoconjugate (coded 6g) showed efficacy against resistant Rhizopus isolates, with MIC values ranging from 6.25 mu g/mL to 25 mu g/mL. Flow cytometry confirmed its fungicidal activity, correlating with MIC data. Compound 6g significantly reduced conidial germination within 24 h and exhibited no cytotoxicity on A549 lung cancer cells. In-silico analysis revealed a negative binding affinity of compound 6g for the spore coat protein CotH3, which could be a potential antifungal target. Conclusion Compound 6g could be an potential antifungal molecule against resistant Rhizopus spp, which requires further studies.
Keywords: Antifungals; Eugenol; Glycoconjugates; Mucormycosis; Resistance; Virulence

Comprehensive investigation on statistical approaches and classical strain improvement for penicillin V production by Penicillium rubens BIONCL P45 strain - Sawant, Amol Muralidhar; Vamkudoth, Koteswara Rao (Systems Microbiology and Biomanufacturing, 2025)
Media engineering and strain improvement are critical aspects of microbial biotechnology playing a vital role in enhancing microbial productivity, and ensuring cost-effective bioprocessing. In this investigation, we optimized the various medium components, nutritional condition, and fermentation parameters for the industrial production of phenoxymethylpenicillin or penicillin V (PenV). We have isolated, characterized Penicillium rubens BIONCL P45 strain which initially produced 100 mg/L of PenV. Further, optimization using production medium 4 (PM4) comprising lactose, corn steep solids, sodium sulfate, calcium carbonate, and phenoxy acetic acid lead to a significant increase in production, reaching 430 mg/L. Further improvements through response surface methodology (RSM) predicted a production of 646 mg/L, which was experimentally validated at 685 mg/L. Subsequently, mutagenesis studies using UV (ultraviolet) exposure resulted in the UV-65 mutant, which demonstrated a superior performance, achieving 934 mg/L, surpassing the parental strain. ​These combined strategies lead to a tenfold increase in PenV titer, highlighting their effectiveness in bioprocess development and industrial-scale antibiotic production.
Keywords: Box-Behnken design; Classical strain improvement (CSI); Media optimization; Penicillin V; Penicillium rubens; Response surface methodology

Comprehensive tissue specific analysis of antioxidant potential and metabolite profiling of a vulnerable therapeutic herb Ceropegia sahyadrica - Pandey, Meena; Dholakia, Bhushan B.; Saraf, Purva S.; Punekar, Sachin A.; Giri, Ashok P. (3 Biotech, 2025)
This study investigated tissue-culture of an endangered medicinal herb, Ceropegia sahyadrica, along with tissue-specific variation in antioxidant activity and GC-MS based phytochemical profiling using wild and in vitro explants. In vitro leaf explants exhibited callus induction rate of 100% in Murashige and Skoog media containing 6-benzylaminopurine (4 mu M) and 2,4-dichlorophenoxyacetic acid (2 mu M) with 5% sucrose, whereas in vitro root explant achieved 66.7% with the combination of 2 mu M 6-benzylaminopurine and 1 mu M 2,4-dichlorophenoxyacetic acid in Murashige and Skoog medium. Microtuberization was most pronounced in in vitro root explants with a maximum response of 73.3% in 1 mu M indole-3-acetic acid, 2 mu M 6-benzylaminopurine and 5% sucrose. Scanning electron microscopy imaging revealed distinct cellular organization among tissues. Further, antioxidant potential assessed through 1,1-diphenyl-2-picrylhydrazyl radical scavenging assays and estimated total phenolic content showed metabolic variation and commonality between in vitro and wild tissues. Additionally, phytochemical profiling by gas chromatography-mass spectrometry identified 201 compounds, including alkaloids, fatty acid methyl esters, flavonoids, phytosterols and other bioactive molecules with alterations in metabolite profiles between in vitro and wild tissues. These findings demonstrated that explant origin and culture condition might significantly influence metabolic responses for conservation and ensures a reliable source of bioactive compound.
Keywords: Ceropegia- Conservation; Endemic medicinal herb; GC-MS; Metabolite profiling; Tuberization

Concurrent utilization of e- and h+ for water splitting to H2 and biomass components into value-added products: sustainable solar-driven photocatalysis towards meeting SDG7, 12 and 13 - Rajendran, Sivaraj; Saju, Simi; Mathew, Thomas; Gopinath, Chinnakonda S. (Chemical Communications, 2025)
Photocatalytic water splitting is considered one of the efficient methods for producing green hydrogen. However, the sluggish oxygen evolution reaction (OER) kinetics with four electrons limits the overall efficiency of water splitting. Biomass components/biomass derivatives are renewable carbon feedstocks that are abundantly available in nature. It is prudent to make use of electrons and holes concurrently in photocatalysis for H2 production and oxidation of biomass components, respectively, due to the latter's occurrence at a lower potential (<= 1 V) than that of the OER (>1.23 V), to value-added products (VAPs); this approach makes the entire process energy-efficient and kinetically superior. This potential approach could effectively utilize the charge carriers and abundant renewable resources of water and biomass simultaneously, meeting the sustainability, energy conversion and economic goals together. Parallel utilization of the charge carriers for redox reactions also enhances the sustainability of the catalyst system employed. Interestingly, biomass component oxidation to VAPs occurs in several steps, which not only enhances hole utilization but also provides an opportunity to design better catalysts to enhance the selectivity of the target products. Carrying out such reactions under aerobic or anaerobic conditions and different pH conditions allows fine-tuning of the product selectivity. The current review provides a detailed overview of the recent developments in this emerging area with three different types of photocatalyst systems, namely, oxide-, chalcogenide-, and carbon-based materials. Among these, the oxide-based systems generally demonstrate the highest activity with sustainability, maintaining performance for several hours. While many of these systems exhibited high selectivity towards a single product, 100% selectivity to lactic acid from glycerol was observed with a BiVO4-integrated TiO2 catalyst. Finally, the challenges, opportunities and future perspectives in this thriving field are listed, and they underscore the role of a carbon-neutral economy towards achieving a potentially sustainable future.

Concurrent utilization of e− and h+ for water splitting to H2 and biomass components into value-added products: sustainable solar-driven photocatalysis towards meeting SDG7, 12 and 13 - Rajendran, Sivaraj; Saju, Simi; Mathew, Thomas; Gopinath, Chinnakonda S. (Chemical Communications, 2025)
Photocatalytic water splitting is considered one of the efficient methods for producing green hydrogen. However, the sluggish oxygen evolution reaction (OER) kinetics with four electrons limits the overall efficiency of water splitting. Biomass components/biomass derivatives are renewable carbon feedstocks that are abundantly available in nature. It is prudent to make use of electrons and holes concurrently in photocatalysis for H2 production and oxidation of biomass components, respectively, due to the latter's occurrence at a lower potential (≤1 V) than that of the OER (>1.23 V), to value-added products (VAPs); this approach makes the entire process energy-efficient and kinetically superior. This potential approach could effectively utilize the charge carriers and abundant renewable resources of water and biomass simultaneously, meeting the sustainability, energy conversion and economic goals together. Parallel utilization of the charge carriers for redox reactions also enhances the sustainability of the catalyst system employed. Interestingly, biomass component oxidation to VAPs occurs in several steps, which not only enhances hole utilization but also provides an opportunity to design better catalysts to enhance the selectivity of the target products. Carrying out such reactions under aerobic or anaerobic conditions and different pH conditions allows fine-tuning of the product selectivity. The current review provides a detailed overview of the recent developments in this emerging area with three different types of photocatalyst systems, namely, oxide-, chalcogenide-, and carbon-based materials. Among these, the oxide-based systems generally demonstrate the highest activity with sustainability, maintaining performance for several hours. While many of these systems exhibited high selectivity towards a single product, 100% selectivity to lactic acid from glycerol was observed with a BiVO4-integrated TiO2 catalyst. Finally, the challenges, opportunities and future perspectives in this thriving field are listed, and they underscore the role of a carbon-neutral economy towards achieving a potentially sustainable future.

Confined impinging jet reactor for high-throughput continuous flow mononitration of salicylic acid - Khan, Muzammilanwar S.; Shaikh, Tabrez R.; Kulkarni, Sphurti P.; Patil, Abhishek A.; Kulkarni, Amol A. (Organic Process Research & Development, 2025)
Novel approach is reported for highly efficient continuous mononitration of salicylic acid using confined impinging jet reactor (CIJR) with a vent. Initially, controlled semibatch reactions are optimized to achieve complete conversion and formation of mononitro products with very high selectivity for 5-nitrosalicylic acid (5-NSA). Further, the combination of computational fluid dynamics simulations and experiments is employed to optimize CIJR design and operating flow conditions, suitable to yield only mononitro products with excellent control over mixing, heat transfer, and liberation of fumes during continuous flow reaction. Detailed analysis of internal flow patterns, rate of heat generation, and concentration distribution inside the CIJR facilitated the optimization of present exothermic reaction in a safe manner. In less than a minute, complete salicylic acid (SA) conversion with good yield and better selectivity for 5-NSA is achieved using the CIJR. Safety and clogging issues are addressed effectively, even at a relatively lower mole ratio (1:5) of SA:acetic acid (AcOH). The present approach is quite scalable using the numbering-up strategy, with advantages viz. nonfouling, high throughput, and the small footprint of CIJR.
Keywords: computational fluid dynamics; confined impinging jet reactor; high-throughput synthesis; salicylic acid nitration

Conjugate addition/cyclization of propanal with isatylidene malononitriles: an efficient one-pot organocatalytic approach for the synthesis of 3′-methyl spiro[2H-pyran-3,4′-indoline] - Patil, Baliram R.; Nichinde, Chandrakant B.; Girase, Amardipsing S.; Chaudhari, Suryakant S.; Kinage, Anil K. (Organic & Biomolecular Chemistry, 2025)
The organocatalyzed one-pot Michael addition reaction of propanal to isatylidene malononitriles remains largely unexplored due to challenges in controlling the reaction and preventing side processes such as aldol condensation, self-aldolization, and 1,3-dipolar cycloaddition. In this study, we introduce a one-pot methodology for the synthesis of 3 `-alkyl spiro[2H-pyran-3,4 `-indoline] via an organocatalyzed Michael addition of simple propanal to isatylidene malononitrile derivatives, which are generated in situ from isatin derivatives and malononitrile. Subsequent reduction of the Michael adduct with NaBH4 leads to the target product with high efficiency under mild conditions. This strategy offers several advantages, including environmental sustainability, high to excellent yields, shorter reaction times, cost-effectiveness, and ease of implementation.

Continuous flow hydrodeoxygenation of lignin-derived guaiacol to cyclohexanol over durable Al2O3 hollow fiber supported co catalyst - Singh, Dheerendra; Jogdand, Shunottara M.; Devi, R. Nandini; Dhepe, Paresh L. (ChemCatChem, 2025)
The drive to decarbonize the chemical, oil, and gas industries through use of bio-derived resources is intensifying. This study focuses on converting lignin-derived phenolic compounds into cyclohexanol, a precursor for adipic acid production. The alumina hollow fiber supported cobalt catalyst (5Co/AHF@capillary) prepared by capillary action method was found to consist cobalt in both metallic and +delta oxidation states. Initial tests in a batch-mode reactor showed promising results, with 5Co/AHF@capillary catalyst demonstrating catalytic activity comparable to Ru/Al2O3 systems (225 degrees C, 1 MPa H-2, 4 h), achieving similar to 86% cyclohexanol yield in guaiacol hydrodeoxygenation reactions. The catalytic system was then adapted for continuous flow reactors under milder conditions (300 degrees C, 2.5 MPa H-2, 18 mL min(-1)), resulting in 83% guaiacol conversion and 74% cyclohexanol yield. The durability of the catalyst was checked for >80 h and results claim that catalyst was active in yielding consistent results. The roles of catalyst preparation method, hydrogen pressure, solvent, WHSV were thoroughly checked and discussed.
Keywords: biomass valorization; Carbon; Co/Al2O3; Cyclohexanol; lignin

Continuous flow solvent-free and catalyst-free mechanochemical production of rhodamine B dyes and their derivatives - Purohit, Mukesh; Shaikh, Tabrez Rafique; Kulkarni, Amol A. (Chemical Communications, 2025)
In this communication, we have described a simple and efficient, catalyst free and solvent-free protocol for the continuous flow synthesis of rhodamine B dyes developed from 3-diethyl amino phenol and phthalic anhydride. Nearly 95% conversion was achieved within 12 min using a jacketed single screw reactor. This method is further used for the synthesis of six derivatives with 70-84% yield, which can be compared to 85% yield from a 1-hour long batch synthesis involving a catalyst.

Continuous flow synthesis of metal nanowires: protocols, engineering aspects of scale-up and applications - Sonawane, Jayesh R.; Jundale, Rajashri; Kulkarni, Amol A. (Materials Horizons, 2025)
This review comprehensively covers the translation from batch to continuous flow synthesis of metal nanowires (i.e., silver, copper, gold, and platinum nanowires) and their diverse applications across various sectors. Metal nanowires have attracted significant attention owing to their versatility and feasibility for large-scale synthesis. The efficacy of flow chemistry in nanomaterial synthesis has been extensively demonstrated over the past few decades. Continuous flow synthesis offers scalability, high throughput screening, and robust and reproducible synthesis procedures, making it a promising technology. Silver nanowires, widely used in flexible electronics, transparent conductive films, and sensors, have benefited from advancements in continuous flow synthesis aimed at achieving high aspect ratios and uniform diameters, though challenges in preventing agglomeration during large-scale production remain. Copper nanowires, considered as a cost-effective alternative to silver nanowires for conductive materials, have benefited from continuous flow synthesis methods that minimize oxidation and enhance stability, yet scaling up these processes requires precise control of reducing environments and copper ion concentration. A critical evaluation of various metal nanowire ink formulations is conducted, aiming to identify formulations that exhibit superior properties with lower metal solid content. This study delves into the intricacies of continuous flow synthesis methods for metal nanowires, emphasizing the exploration of engineering considerations essential for the design of continuous flow reactors. Furthermore, challenges associated with large-scale synthesis are addressed, highlighting the process-related issues. This review comprehensively covers the translation from batch to continuous flow synthesis of metal nanowires (i.e., silver, copper, gold, and platinum nanowires) and their diverse applications across various sectors.

Continuous flow telescopic synthesis of 3-methoxy propiophenone by the grignard reaction - Wankhede, Pranali; Kulkarni, Amol A. (Organic Process Research & Development, 2025)
The synthesis of 3-methoxypropiophenone 1, a crucial intermediate in the production of the analgesic tapentadol hydrochloride, was investigated using a multistep continuous flow process. The approach is based on the Grignard reaction. A series of continuously stirred tank reactors (CSTRs) were employed: the first reactors facilitated the continuous generation of Grignard reagents 3, which then reacted with propionitrile in the next CSTR to yield 1. This was followed by quenching, neutralization, and phase separation, conducted under varying temperatures and residence times. When compared to a 50% yield from an optimized batch synthesis protocol, a continuous flow synthesis helped achieve an 84% yield of the desired product in a much shorter reaction time. A kinetic model was developed to predict the Grignard reagent formation and product yield, revealing that the mass transfer effect is insignificant at a higher stirring rate. The approach is highly scalable for the synthesis of pharmaceutical intermediates.
Keywords: batch and continuous reaction; flow chemistry; Grignard reaction; heterogeneous kinetics

Continuous flow β-zeolite catalysed regioselective alkylation of naphthols using alcohols for synthesis of peroxynaphthalen-2(1H)-one, Azidonaphthalen-2(1H)-one and Fluoronaphthalen-2(1H)-one derivatives - Londhe, Gokul; Bokade, Vijay; Gnanaprakasam, Boopathy (Asian Journal of Organic Chemistry, 2025)
Functionalized naphthols are prominent scaffolds in organic synthesis and materials chemistry. Herein, we demonstrated continuous flow alkylation of alpha- and beta-naphthols by using various primary and secondary benzylic alcohols in the presence of environmentally benign granular beta-zeolite as a reusable catalyst. For a variety of beta-naphthols, the respective alkylated products with good regioselectivity were obtained in high yields under mild reaction conditions. This protocol proceeded via the classical Friedel-Crafts type alkylation process and generated stable carbocations as intermediates. Applying this protocol, versatile naphthol derivatives have been synthesized using primary and secondary benzylic alcohols (50 and 44 examples in batch and continuous flow process, respectively), with good yields. Key advantages of this process includes rapid and efficient transformation, facilitates gram-scale synthesis, and generates water as the sole by-product. The most significant advantage is the continuous reusability of granular beta-zeolite, which further emphasizes the sustainability of the method. The application of alkylated naphthols for quaternary functionalization was demonstrated through peroxidation, azidation, and halogenation reactions under the continuous flow module, which yielded the respective peroxynaphthalen-2(1H)-one, azidonaphthalen-2(1H)-one and fluoronaphthalen2(1H)-one derivatives.
Keywords: continuous flow; Multigram Synthesis; Reusable beta-zeolite; Sustainable Appraoch; Transition metal free

Coumarin hybrids: dual-target candidates for future antimicrobial and antitubercular therapies - Bavishi, Abhay; Vala, Hardev; Thakrar, Shailesh; Swami, Sagar; Sarkar, Dhiman; Shukla, Rushit; Kamdar, Jignesh; Shah, Anamik (Future Medicinal Chemistry, 2025)
Aims: This study aimed to synthesize, characterize, and evaluate the antimicrobial and antitubercular activities of two novel series of coumarin-based derivatives (Series 5 and Series 9), focusing on their structure-activity relationship (SAR) and molecular docking interactions with key bacterial enzymes. Materials & methods: Series 5 (5a-5j) and Series 9 (9a-9t) compounds were synthesized and characterized using spectroscopic techniques. Their antimicrobial and antitubercular activities were evaluated against Mycobacterium tuberculosis, Staphylococcus aureus, Bacillus subtilis, and E. coli. IC50 values were determined, and molecular docking studies were conducted to assess binding interactions with M. tuberculosis enoyl-ACP reductase (InhA) and E. coli DNA gyrase B. Results: Series 5 compounds exhibited moderate activity, with 5f, 5 g, 5i, and 5j showing notable inhibition. Series 9 derivatives displayed superior dual-target inhibition, with 9t, 9c, 9a, 9b, and 9p achieving >90% inhibition against S. aureus and B. subtilis. The lowest IC50 against M. tuberculosis was observed for 9c (1.50 mu g/mL), followed by 9a (2.84 mu g/mL) and 9b (2.73 mu g/mL). Molecular docking confirmed strong binding interactions, correlating with observed biological activities. Conclusions: Series 9 compounds, particularly 9t, 9c, and 9a, demonstrate high potential as dual-target antimicrobial drug candidates. Further optimization may enhance their therapeutic efficacy. [GRAPHICS]
Keywords: Antimicrobial activity; antitubercular agents; Coumarin derivatives; Molecular docking studies; structure-activity relationship (SAR); thiophene-based compounds

Critical advances in biofabrication and biomaterial strategies in tracheal tissue engineering: A comprehensive overview - Naik, Sonali S.; Dutta, Naba K.; Nair, Kiran Sukumaran; Choudhury, Namita Roy (Advances in Colloid and Interface Science, 2025)
The trachea is a vital respiratory organ that connects the larynx to the lungs and performs crucial functions. Various conditions can cause severe and often irreversible damage to individuals trachea of all age groups. Tracheal regeneration remains a major challenge in respiratory medicine, requiring a innovative solutions to address various underlying causes. Existing clinical interventions often have significant limitations and associated complications. Tissue engineering has potential, but its effectiveness has been limited due to challenges such as poor durability and insufficient revascularization. This review aims to provide a comprehensive exploration of the landscape of tracheal regeneration, shedding light on the path towards advancements in addressing extensive tracheal defects. It follows a structured approach, introducing various surgical procedures, along with their associated complications. Subsequently, it delves into the myriad biomaterials investigated in the realm of tracheal tissue engineering, emphasizing the significance of design considerations in scaffold fabrication. The review then navigates through various platforms utilized in tracheal tissue engineering and recent innovative approaches employed in this domain. Additionally, it provides insights into the clinical translation of tissueengineered trachea, highlighting recent advancements and challenges encountered in real-world applications. Finally, it discusses the significant challenges and offers a perspective outlook on the future of tracheal tissue engineering. Addressing current limitations and envisioning novel strategies, the review contributes to the ongoing dialogue and progression in this critical field of regenerative medicine.
Keywords: 3D printing; 4D printing; Additive manufacturing; Biomaterials; Cell sheet engineering; Organoid printing; Tracheal tissue engineering

The critical helping hand of water: theory shows the way to obtain elusive, granular information about kinetic asymmetry driven systems - Bajpai, Priyam; Thulasiram, Shrivatsa; Vanka, Kumar (Chemical Science, 2025)
Kinetic asymmetry is crucial in chemical systems where the selective synthesis of one product over another, or the acceleration of specific reaction(s) is necessary. However, obtaining precise information with current experimental methods about the behavior of such systems as a function of time, substrate concentration and other relevant factors, is not possible. Computational chemistry provides a powerful means to address this problem. The current study unveils a two-pronged computational approach: (i) full quantum chemical studies with density functional theory (DFT), followed by (ii) stochastic simulations with a validated Gillespie algorithm (GA) (using representative model systems where necessary), to study the behavior of a kinetic asymmetry driven unidirectional molecular motor (1-phenylpyrrole2,2 `-dicarboxylic acid) (Nature, 2022, 604 (7904), 80-85). Our approach allows us to understand what is really taking place in the system, underlining the crucial role played by water molecules in facilitating the rotation of the motor. It is seen that water lubricates the motion by increasing the rotation rate constant of the final step by, remarkably, more than ten orders of magnitude! These insights further serve to explain the efficient rotation of the very recently reported gel-embedded molecular motor (Nature, 2025, 637 (8046), 594-600), providing an upper limit for the allowed rotation barrier in such systems, and thus also casts light into the functioning of bio-molecular motors. The current work therefore provides a template for carefully and properly studying a wide variety of important, kinetic asymmetry driven systems in the future.

Cyclopropane containing triterpenoids, cycloartenone, and cycloartenol: isolation, chemical transformations, and anticancer studies - Paul, Sayantan; Mandal, Kartik; Santra, Manas K.; Bhattacharya, Asish K. (ChemistrySelect, 2025)
Cycloartenone and cycloartenol, two plant-derived triterpenoids possessing cyclopropane ring were isolated from the latex of Artocarpus heterophyllus (jackfruit). Cycloartenol was chemically modified to synthesize dihydrocycloartenol via acetylation and deacetylation methodology followed by hydrogenation. Hydroxyl group present in the cycloartenol was also employed for the nitro benzoate formation. All the isolated and synthesized compounds were assayed against MCF7 breast cancer cell line for their anticancer properties.
Keywords: Anticancer studies; Artocarpus heterophyllus; Chemical transformations; Cycloartenol; Cycloartenone

Cation-exchanged Al-substituted ETAS-10 for adsorption of CO2 and N2 - Birje, Amit R.; Yadav, Tushar R.; Nandanwar, Sachin U. (Industrial & Engineering Chemistry Research, 2026)
In this study, Al-substituted ETAS-10 was synthesized via a seed-assisted hydrothermal method by varying the Al:Ti molar ratio. The material was modified via ion exchange with Li+, Ca2+, K+, and Sr2+ cations to tailor its adsorption behavior. The structural, morphological, and textural properties of the synthesized adsorbents were characterized by using XRD, FE-SEM, HR-TEM, EDS, Raman spectroscopy, CO2-TPD, and N2 physisorption. Li+-ETAS-10 exhibited a higher surface area and stronger basic sites available for the CO2 adsorption compared to the studied samples. The equilibrium adsorption isotherms of CO2 and N2 were measured at 25 degrees C and pressures up to 20 bar. Among the studied samples, ETAS-10 with an Al/Ti ratio of 0.2 showed the highest CO2 uptake of 3.19 mmol/g at 20 bar. This performance was enhanced by Li+ cation exchange, which increased the CO2 capacity to 3.52 mmol/g due to improved microporosity and stronger electrostatic interactions between CO2 molecules and the small radii of the Li+ cation. The adsorption isotherms follow the Langmuir model, indicating that adsorption behavior aligns with Langmuir assumptions across the investigated pressure range. Overall, the results highlight the synergistic role of framework Al incorporation and targeted cation exchange in enhancing the CO2 adsorption performance of ETAS-10. These materials exhibit potential as adsorbents for capture/adsorption of CO2.

Chirality transfer from covalent organic framework nanotubes to covalent organic framework films via chirality induction crystallization - Bag, Saikat; Chatterjee, Debasmita; Mahapatra, Rohan; Sasmal, Himadri Sekhar; Khatua, Arindam; Giri, Madhurima; Paul, Satyadip; Shelke, Ankita; Almasoud, Najla; Alomar, Taghrid S.; Ajithkumar, Thalasseril G.; Sen Gupta, Sayam; et al. (Advanced Materials, 2026)
We report the synthesis of homochiral crystalline covalent organic framework (COF) films that combine rigidity and porosity, offering significant promise for heterogeneous asymmetric catalysis. We prepared enantiopure COF films from achiral diamine and trialdehyde precursors using a chiral induction crystallization strategy. A Schiff-base reaction, catalyzed by a chiral acid, namely (R)- and (S)-camphorsulfonic acids (CSA) generated a beta-ketoenamine backbone with induced chirality. (R)- and (S)-camphorsulfonic acids direct the diamine-trialdehyde condensation and induce chirality during the nucleation of COF nanotubes, enabling their periodic arrangement and the formation of homochiral thin films. We successfully synthesized six distinct COF films with three different backbone functionalities: R-, S-TpAzo; R-, S-TpDPP; and R-, S-TpBDMe2, using the two enantiomers of the chiral camphorsulfonic acids. All films displayed strong circular dichroism signals and pronounced Cotton effects, confirming their enhanced enantiopurity. Both R- and S-TpAzo films exhibited the highest crystallinity, long-range order, and permanent porosity, making them particularly well-suited for catalytic applications. To demonstrate their utility, we encapsulated a bioinspired catalyst, (Et4N)2[FeIII(Cl)bTAML], within the chiral channels of the R- and S-TpAzo films. The resulting composite created a robust heterogeneous catalytic platform for the asymmetric epoxidation of alkenes, achieving excellent activity and enantioselectivity under ambient conditions.
Keywords: chiral induction; covalent organic framework nanotube; covalent organic framework thin film; heterogeneous catalysis

Chitosan and layered double hydroxide nanosheets composite-based triboelectric nanogenerators for energy harvesting and touch sensing applications - Chaturvedi, Ekta; Roy, Poulomi; Pal, Santanu; Hossain, Afrin; Ahuja, Mayank (ACS Applied Nano Materials, 2026)
The alarming coexistence of increasing energy demand and environmental concerns has raised the immediate need to find suitable alternative energy resources. This need drives the development of environment-friendly, highly efficient tribo electric nanogenerators (TENGs), which have already gained significant success in mechanical energy harvesting. However, it still possesses challenges like ultralow current, which restricts its extensive applications in the real world. This article proposed the innovative combination of advanced layered double hydroxides (LDH) as a nanofiller with sodium chloride ionic salt as a simple strategy to enhance the output current of biodegradable chitosan polymer-based triboelectric nanogenerators (CS-TENG). Polymer chitosan provides a flexible matrix with many active sites, while the addition of LDH effectively enhances the surface area and positively charged sites due to its inherently positively charged layered nanostructure. This combination, together with NaCl-induced ionization and enhanced interfacial polarization, leads to an overall increase in the output performance of TENG. The developed TENG generated an output voltage (V OC) and current (I SC) of 101.6 V and 55.42 mu A, respectively, with a maximum power density of 629.5 mW m-2 at an external load resistance of 10 K Omega. It had the capability to power small-scale electronics like a watch, a calculator, an alarm buzzer, etc. A touch-sensitive TENG-based door sensor was also developed, which was capable of lighting LEDs just by a simple push on the door. This work demonstrated a simple, promising method to explore the potential of environmentally friendly CS-based mechanical energy harvesters for practical applications.
Keywords: Chitosan; Composite; layereddouble hydroxides; touch sensing; triboelectric nanogenerators

CO2, N2 and H2 adsorption in Zn2+-containing zeolites and metal-organic frameworks - Samal, Pragnya Paramita; Berger, Fabian; Krishnamurty, Sailaja; Sauer, Joachim (Physical Chemistry Chemical Physics, 2026)
We employ a chemically accurate (+/- 4 kJ mol-1) embedding approach to calculate enthalpies for CO2, N2, and H2 adsorption in the Zn2+-containing zeolites FAU and CHA, and for CO2 and H2 in the metal-organic frameworks (MOFs) Zn-MOF-74 and CALF-20. Using MP2 as the high-level method and PBE+D4 as the periodic low-level method (MP2:PBE+D4), we obtain CO2 adsorption enthalpies of -46, -34, and -36 kJ mol-1 for Zn-CHA, Zn-MOF-74, and CALF-20, respectively, all within chemical accuracy limits of the experimental values of -42, -30, and -39 kJ mol-1. For CO2 in Zn-FAU, where no experimental data exist, we provide an MP2:PBE+D4 prediction of -49 kJ mol-1. For N2, we predict MP2:PBE+D4 adsorption enthalpies of -41 and -39 kJ mol-1 in Zn-CHA and Zn-FAU, respectively. CO2 adsorption is stronger in the zeolites than in the studied MOFs. Across all systems, CO2 adsorption tends to be stronger than N2 adsorption and both are largely favoured over H2. We observe inconsistent accuracy of PBE+D4 for the two MOFs, despite their similar characteristics, underscoring the need for high-level approaches in predictive screening. Additionally, we conclude that Zn2+ cations with open coordination sites act as the primary binding sites and that these cations preferentially occupy 6-membered rings in zeolites.

Composite Sn-Fe oxide as a compatible OER electrocatalyst for electrochemical alkaline water electrolysis - Velluva, Abhijai; Christi, Darren Sebastian; Selvaraj, Kaliaperumal (Journal of Physical Chemistry C, 2026)
Green hydrogen production through electrochemical water splitting is one of the optimal replacements for conventional fossil fuel energy sources. The development of highly active and electrochemically stable non-noble-metal electrocatalysts for the sluggish oxygen evolution reaction (OER) is considered to be an important step in decreasing the energy requirement during alkaline water electrolysis. Herein, we report a Sn-doped FeOx composite (SnFeOx) powder, which could be synthesized through a single-step hydrothermal method and is reported for the first time for OER during electrochemical water electrolysis. SnFeOx exhibits a low eta(100) (overpotential at 100 mA cm(-2) current density) value of 288 mV and a good Tafel slope of 35 mV dec(-1) in 1 M KOH, which surpasses the performance of standard non-PGM OER catalysts. A long-durability test at a higher current density of 100 mA cm(-2) for 50 h reveals the excellent activity retention of SnFeOx (>99%). The suitability of SnFeOx for full-water splitting was tested with Pt/C as a cathode electrode, and Pt/C/NF||SnFeOx/NF exhibited a lower eta(10) value of 1.56 V that is superior to Pt/C/NF||Ru/C/NF (1.59 V) with more than 99% retention at a current density of 10 mA cm(-2) for 50 h. The more favorable OER performance of SnFeOx compared to FeOx can be attributed to the successful Sn4+ doping along with increased oxygen defective sites and larger electrochemical surface area.

Concentration-dependent nucleation of pyrazinamide polymorphs monitored by dynamic light scattering - Dahake, Sakshi P.; Mishra, Manish Kumar; Mishra, Kamini (CrystEngComm, 2026)
Understanding crystal nucleation in solution remains one of the central challenges in crystallization science, particularly in pharmaceutical systems where polymorphism plays a critical role in determining drug properties. In this study, we present a dynamic light scattering (DLS)-based approach to track nucleation pathways of pyrazinamide (PYZ), a frontline antituberculosis drug known to crystallize in multiple polymorphic forms. Five solvents, ethanol (EtOH), methanol (MeOH), tetrahydrofuran (THF), water (H2O), and acetone, were investigated across three solute concentrations. In contrast to earlier DLS-based studies that primarily emphasize particle size evolution, the present work correlates early-stage DLS signatures with solvent- and concentration-dependent polymorphic outcomes across multiple solvent systems. In EtOH, distinct concentration-dependent nucleation signatures corresponded to the gamma-, alpha-, and delta-forms, whereas MeOH and THF exhibited alpha- and delta-forms with differing degrees of competition between phases. In contrast, H2O and acetone consistently produced a single stable polymorph (alpha- and delta-form, respectively), independent of concentration. DLS measurements provided valuable insight into particle size evolution, capturing nucleation events, growth dynamics, and polymorphic selection across solvent systems. Additionally, this work highlights the capability of DLS to differentiate competitive and non-competitive nucleation environments through size distribution behavior, a feature not extensively reported for pharmaceutical systems. Complementary induction time experiments were also conducted to quantitatively assess solvent-dependent nucleation kinetics. The analysis revealed substantial variations in nucleation rates and interfacial energies across the five solvents, providing independent kinetic validation of the trends observed in the DLS measurements. It also represents a significant advancement by enabling both nucleation pathway tracking and induction time analysis within a unified experimental framework by single instrument, providing direct insight into nucleation kinetics. This combined experimental strategy highlights the potential of DLS as a sensitive and non-invasive method to probe nucleation pathways in solution and demonstrates its utility in correlating concentration, solvent environment, and polymorphic outcomes. Beyond advancing the fundamental understanding of nucleation, this approach offers practical promise for monitoring the design of crystallization processes in pharmaceutical and materials science applications.

Concurrent glycerol oxidation and hydrogen production on Ce-Co oxide/carbon for sustainable biomass valorization - Jana, Jayasmita; Chowdhury, Somnath; Saha, Avishek; Kang, Sung Gu; Hur, Seung Hyun; Gopinath, Chinnakonda S. (Chemical Engineering Journal, 2026)
Integrating glycerol oxidation with water electrolysis offers a sustainable route for hydrogen production while enabling concurrent generation of industrially relevant C1-C3 value-added materials. This system replaces kinetically sluggish oxygen evolution reaction (OER) simultaneously delivering H-2 at the cathode with high turnover frequency, thereby lowering the overall cell voltage and enabling the valorization of glycerol, a major by-product of the biodiesel industry. However, the development of an efficient bifunctional electrocatalysts capable of driving cathodic as well as anodic half-cell reactions remains a key challenge. Herein, we present a cerium-cobalt oxide composite modified with an amorphous carbon layer (Ce,Co-O/C) as an effective bifunctional catalyst for glycerol-assisted water electrolysis. The interfacial electron distribution across the Co-Ce oxide heterojunction generated abundant redox-active sites and accelerates reaction kinetics, while the conductive carbon layer facilitates rapid charge transfer and imparts improved stability. Consequently, the Ce, Co-O/C catalyst exhibited high formate selectivity at 1.4 V (vs RHE) at room temperature and delivers a low cell voltage of 1.90 V at 100 mA cm(-2) in a symmetric Ce,Co-O/C vertical bar vertical bar Ce,Co-O/C system, maintaining operational stability over 100 h. This work provides a promising interface-engineering for designing self-supported bifunctional electrocatalysts toward integrated biomass assisted co-electrolysis systems.
Keywords: Amorphous carbon; biomass valorization; electrocatalysis; energy conversion; green hydrogen

Condensation of bioderived guaiacol with acetaldehyde for the synthesis of bisguaiacol-E: a biobased alternative to bisphenol-A - Dhotre, Kapil; Tarade, Komal P.; Kamble, Sanjay P. (Industrial & Engineering Chemistry Research, 2026)
Bisguaiacol-E (BGE) has emerged as a biobased and sustainable alternative to bisphenol-A (BPA) for the production of materials intended for direct contact with humans and animals, including baby feeding bottles and food packaging. In the present study, BGE was synthesized from bioderived guaiacol and acetaldehyde via acid-catalyzed condensation using a highly efficient and reusable ion-exchange resin, Purolite C124SH. Under optimized conditions, the process achieved 96% guaiacol conversion with 100% selectivity toward BGE. The crude product was purified to obtain BGE in 95% isolated yield and 100% purity. The reusability of Purolite C124SH was evaluated over multiple reaction cycles. After five consecutive reuse cycles, guaiacol conversion and BGE selectivity declined by approximately 25-26% and 20-22%, respectively. However, after regeneration by methanol treatment, the catalyst recovered its activity and maintained a consistent performance over the subsequent three cycles. These results demonstrate the catalyst's regenerability, robustness, and resistance to deactivation, highlighting its potential for cost-effective industrial application. The kinetic study indicates that the condensation of acetaldehyde with guaiacol to form BGE over the Purolite C124SH resin catalyst can be described by a pseudohomogeneous kinetic model. The reaction follows apparent pseudo-first-order behavior, with an activation energy of 43.5 kJ mol-1, suggesting a minimal contribution from external mass-transfer limitations under the investigated conditions. Moreover, at the optimized reaction conditions, the estimated space-time yield (STY) was 0.42 kg L-1 h-1, corresponding to an apparent reaction rate constant of 0.5 h-1. Furthermore, the physicochemical properties of the synthesized BGE were compared with those of reported BGF (Bisguaiacol-F) and BPA, showing strong alignment and confirming its applicability as a safer substitute. The environmental performance of the process was assessed using green chemistry metrics. The calculated E-factor (0.2) and Process Mass Intensity (PMI - 1.27) indicate low waste generation, high material efficiency, and improved sustainability. Overall, the developed methodology offers a clean, efficient, and scalable route for producing BGE as a viable biobased replacement for BPA.

Copper-catalyzed radical 1,2-oxysulfoximination of β,γ-unsaturated oximes for the synthesis of sulfoximine-substituted isoxazolines - Thete, Kishor R.; Vara, Vijay; Patel, Raj Y.; Muthukrishnan, M. (Organic & Biomolecular Chemistry, 2026)
Herein, we report a copper-catalyzed radical 1,2-oxysulfoximination of beta,gamma-unsaturated oximes. The transformation proceeds via intramolecular iminoxyl radical cyclization followed by interception with sulfoximines, enabling efficient access to sulfoximine-substituted isoxazolines in good yields under mild, oxidant-free conditions. The protocol operates at ambient temperature, exhibits a broad substrate scope with excellent functional group tolerance, and is readily scalable to gram quantities.

Coupled computational fluid dynamics-population balance model approach for investigating effect of breakage, coalescence, and interfacial forces in continuous emulsification using static mixers - Salunkhe, Neha Sudhakar; Dastane, Gaurav; Mali, Chaitanya R. (Industrial & Engineering Chemistry Research, 2026)
This study employs a coupled CFD-PBM framework to investigate the effects of breakage and coalescence kernels as well as interfacial force models on droplet dynamics in turbulent liquid-liquid dispersions. An Euler-Euler two-phase model integrated with the population balance model was used to evaluate the influence of turbulence models and breakup-coalescence kernels on droplet formation. The role of interfacial forces, including drag, lift, and turbulent dispersion, was systematically assessed with respect to interfacial area concentration, dispersed phase volume fraction variation, turbulent dissipation rate, Sauter mean diameter (d 32), and droplet size distribution. Through sensitivity analysis, an optimized CFD-PBM model was developed, capable of accurately predicting droplet dynamics. The predicted d 32 showed excellent agreement with the measured experimental data, with a deviation of approximately 0.2% relative to the reported values. Incorporating the lift force improved the prediction of dispersed phase volume fraction by approximately 6.06%, while the inclusion of the turbulent dispersion force enhanced the phase redistribution and increased the local turbulent dissipation rate in the initial mixing zone by nearly 4.68%, thereby promoting droplet breakage. Furthermore, spectral analysis of velocity time-series data using the fast Fourier transform revealed a -5/3 slope in the energy spectrum, confirming that the simulations captured the inertial subrange of turbulence.

Cu(ii)/I2 mediated synthesis of α-keto esters via C(sp2)-C(sp) bond cleavage of 1,2-alkynediones followed by C-O bond formation - Naveed, Abdul; Sawant, Sanghapal D. (New Journal of Chemistry, 2026)
Herein, we disclose an efficient method for the synthesis of alpha-keto esters through a copper(ii)/iodine-mediated reaction. The transformation involves the selective cleavage of the C(sp2)-C(sp) bond of 1,2-alkynediones, which is subsequently followed by C-O bond formation with alcohols. This protocol offers a broad substrate scope, accommodating a wide range of substrates to furnish the desired alpha-keto esters in good yields.