Unraveling the metal-ligand cooperativity in a phosphine-free Mn(II)-catalyzed transfer hydrogenation of nitriles to primary amines and dehydrogenation of dimethylamine borane - Chowdhury, Deep; Gupta, Kriti; Gamidi, Rama Krishna; Jindal, Garima; Mukherjee, Arup (ACS CATALYSIS, 2024)
Keywords: CATALYZED TRANSFER HYDROGENATION; STEREOSELECTIVE TRANSFER SEMIHYDROGENATION

Viscosity effects on the dynamics of diols and diol-based deep eutectic solvents - Chatterjee, Srijan; Deshmukh, Samadhan H.; Chowdhury, Tubai; Bagchi, Sayan (Photochemistry and Photobiology, 2024)
Diols, characterized by the presence of two hydroxyl groups, form extended hydrogen-bonded networks. Increasing hydrocarbon chain length is known to elevate the viscosity of diols. Given the established influence of viscosity on solvent dynamics, it becomes imperative to comprehend the impact of viscosity on the fluctuation dynamics within diols and establish connections with hydrogen bond formation and breaking dynamics. In this study, we employ two-dimensional infrared spectroscopy to investigate the viscosity dependence of the structural evolution dynamics in three diols with varying chain lengths. Complementing our experimental approach, molecular dynamics simulations are conducted to extract hydrogen bond lifetimes. Our findings reveal a linear correlation between bulk viscosity, solvent fluctuation timescales, and hydrogen bond lifetimes. Notably, the selected diols exhibit the capability to form deep eutectic solvents upon mixing with choline chloride at specific molar ratios. In contrast to molecular solvents like diols, deep eutectic solvents are characterized by the formation of heterogeneous nanodomains, comprising various intercomponent hydrogen-bonded networks. Interestingly, our observations indicate that while the fluctuation dynamics decelerate with increasing bulk viscosity in diol-based deep eutectic solvents, the relationship between viscosity and dynamics is not linear, in contrast to the observed linearity in diols. This nuanced understanding contributes to the broader comprehension of the interplay between viscosity and dynamics in both molecular and deep eutectic solvents. We investigate the impact of viscosity on structural evolution dynamics in diols with varying chain lengths. Employing two-dimensional infrared spectroscopy and molecular dynamics simulations, we explore the relationship between bulk viscosity, solvent fluctuation timescales, and hydrogen bond lifetimes. We report a linear correlation in diols between viscosity, fluctuation timescales, and hydrogen bond lifetimes. Diols also form deep eutectic solvents, characterized by heterogeneous nanodomains. While fluctuation dynamics slow down with increasing bulk viscosity in diol-based deep eutectic solvents, the relationship between viscosity and dynamics is nonlinear, contrasting with diols' linearity. This understanding enhances comprehension of viscosity-dynamics interplay in molecular and deep eutectic solvents.image
Keywords: Dynamics; Hydrogen bond; solvent; spectroscopy; viscosity

Visible light-assisted ferro-photocatalytic application of bismuth ferrite nanoparticles synthesized at low temperature - Sarraf, Sonu; Kaushal, Neha; Chugh, Vibhas; Sundar, Adhiraj; Saha, Avishek; Basu, Aviru K. (Journal of Materials Science, 2024)
Polycrystalline nano-sized multiferroic bismuth ferrite was prepared by facile sole-gel method using acetic acid as a chelating agent followed by calcination at 450, 500, and 600 degrees C. Transmission electron spectroscopy and X-ray diffraction patterns revealed the crystallinity in the samples, and the crystallite size increased with calcination temperature. The calcination temperature also greatly influenced the grain size of the materials, and high calcination temperature induces a decline in the total surface area per unit mass of material. The ferroelectric polarization measurement showed a decrease in remnant polarization from 0.18 to 0.09 mu C/cm2 with an increase in temperature. The remnant polarization induced delayed recombination of charge carriers upon light illumination, and the high surface area led to the highest photocatalytic activity in 450 degrees C calcined samples. The higher photocurrent density in low-temperature calcined samples supports the visible-light photodegradation studies of Congo Red (CR) dye. A maximum of 76.6% photocatalytic activity was observed in the 450 celcius calcined bismuth ferrite samples. In summary, the higher photocatalytic efficiency in the low-temperature samples is attributable to the synergistic effect of relatively higher remnant polarization and higher surface area.

Yoga therapy attenuates the progression of diabetes - insights from proteomics and metabolomics analysis - Sonwane, Babasaheb P.; Raut, Pooja; Chitalkar, Jyotsna; Godbole, Smita; Sabnis, Shanta; Gupta, Jyoti; Santhakumari, B.; Deshpande, Mukund V.; Kulkarni, Mahesh J. (International Journal of Yoga, 2024)
<p style="box-sizing: inherit; line-height: 1.5; margin: 1.2rem 0px; color: rgb(33, 33, 33); font-family: BlinkMacSystemFont, -apple-system, "Segoe UI", Roboto, Oxygen, Ubuntu, Cantarell, "Fira Sans", "Droid Sans", "Helvetica Neue", sans-serif; font-size: 16px;"> Objective: Diabetes management remains challenging despite advancements in therapeutics, with many subjects developing complications. Yoga has been shown to aid diabetes management. This study investigates the impact of yoga therapy on diabetes progression, utilizing proteomics and metabolomics analyses to explore underlying molecular mechanisms. <p style="box-sizing: inherit; line-height: 1.5; margin: 1.2rem 0px; color: rgb(33, 33, 33); font-family: BlinkMacSystemFont, -apple-system, "Segoe UI", Roboto, Oxygen, Ubuntu, Cantarell, "Fira Sans", "Droid Sans", "Helvetica Neue", sans-serif; font-size: 16px;"> Methodology: A 3-month longitudinal study involving healthy subjects with prediabetes and diabetes was conducted. Blood glucose, glycated hemoglobin (HbA1c), lipid profile, and malondialdehyde (MDA) levels were measured before and after the yoga intervention. <p style="box-sizing: inherit; line-height: 1.5; margin: 1.2rem 0px; color: rgb(33, 33, 33); font-family: BlinkMacSystemFont, -apple-system, "Segoe UI", Roboto, Oxygen, Ubuntu, Cantarell, "Fira Sans", "Droid Sans", "Helvetica Neue", sans-serif; font-size: 16px;"> Results and conclusion: Healthy subjects showed no significant changes in blood glucose, lipid profile, HbA1c, or MDA levels. However, subjects with prediabetes and diabetes experienced positive changes, with decreases in HbA1c and MDA levels. Proteomics and metabolomics analyses provided insights into the molecular mechanisms by which yoga attenuates diabetes progression in subjects with prediabetes and diabetes. This study is a pioneering effort to understand the molecular basis of yoga's beneficial effects on diabetes management.

Air-stable double halide perovskite Cs2CuBiBr6: synthesis and memristor application - Betal, Atanu; Chetia, Anupam; Saikia, Dibyajyoti; Karmakar, Krishnendu; Bera, Ganesh; Dambhare, Neha V.; Rath, Arup K.; Sahu, Satyajit (Physical Chemistry Chemical Physics, 2025)
The excellent optical and electronic properties of halide perovskite materials have attracted researchers to investigate this particular field. However, the instability in ambient conditions and toxicity of materials like lead have given some setbacks to commercial use. To overcome these issues, perovskite-inspired materials with less toxic and excellent air-stable materials are being studied. Double perovskite materials are one of the perovskite materials. In this study, we have synthesized air-stable double perovskite Cs2CuBiBr6 using a solution process approach. The characterization of the material revealed that it has excellent crystallinity and high stability. The material shows excellent optical and electronic properties. It can be used in resistive memory devices. It shows stable current-voltage characteristics and analog switching. The ion migration through the active layer and accumulation of charge near the electrode region are the reasons behind the resistive switching.

Anomalous membrane organization by omega-6 and omega-9 fatty acids - Porte, Sudha; Pandia, Swaratmika; Joardar, Ankita; Saraf, Deepashri; Pinjari, Aadil; Chakraborty, Hirak; Sengupta, Durba (Physical Chemistry Chemical Physics, 2025)
Omega fatty acids are currently being marketed as healthy food supplements as they have been implicated in multiple pathophysiological conditions, such as reducing plaque formation of A beta peptide and inhibiting SARS-CoV-2 infection. Their mode of action has been hypothesized to be via membrane reorganization by the unsaturated acyl chains, leading to the modulation of lipid-protein cross-talk. However, the lack of molecular details led us to evaluate the molecular effect of omega-6 (linolenic acid) and omega-9 (oleic acid) fatty acids on membrane organization using a consolidated approach of fluorescence spectroscopy and all-atom molecular dynamics simulation. Our results show that the effect of these omega fatty acids is sensitive to their protonation states. Contrary to the accepted notion that chain unsaturation causes membrane disordering, both experimental and simulation results demonstrate that protonated linoleic acid promotes membrane ordering, despite having two unsaturations at the fatty acyl chain. However, protonated oleic fatty acid, with reduced unsaturation, disordered the acyl chain area of the lipid membranes. Equally surprisingly, deprotonated oleic acid orders, whereas deprotonated linoleic acid disorders, the membrane core region. Interestingly, while the lipid order parameter measurements from simulations did not capture these subtle differences, the calculated rotational autocorrelation function of a membrane dye was in line with experimentally measured apparent rotational correlation times. Our work provides a comprehensive revised molecular picture of the effect of omega fatty acids on membranes and highlights the importance of rigorous comparative approaches, as experimental and simulation studies in isolation can sometimes lead to inconsistent results.

Bacterial nanocellulose enhances osteogenic activity of Vat-based 3D-bio-printed silk fibroin hydrogels - Waidi, Yusuf Olatunji; Jagtap, Ashish; Dastagar, Syed G.; Chatterjee, Kaushik (International Journal of Biological Macromolecules, 2025)
Tissue engineering, particularly leveraging three-dimensional (3D) bioprinting, is emerging as a transformative solution to repair critical-size bone defects. However, identifying suitable biomaterials remains a key technological bottleneck in the field. Toward this broader goal, this study explored a composite bioink containing photocurable silk fibroin (SF) and bacterial nanocellulose (BNC) for fabricating scaffolds for bone tissue engineering (BTE) by 3D bioprinting using digital light projection (DLP). We prepared scaffolds with 0, 0.25, and 0.75 wt% BNC and characterized their physicochemical properties (degradation, viscoelasticity, porosity, compressive strength). We assessed samples in simulated body fluid (SBF) after 14 days to evaluate biomineralization. Additionally, using MC3T3-E1 preosteoblast cells, we examined cell viability, metabolic activity, proliferation, and osteogenic potential through alkaline phosphatase (ALP), Alizarin Red S (ARS), von Kossa, hematoxylin and eosin (H&E), and Picrosirius Red assays. The optimized bioinks produced hydrogels with controlled degradation, tunable viscoelasticity, interconnected pores, and significantly improved compressive strength. Specifically, 10 % methacrylated-silk with 0.75 % BNC (Silk-MA/0.75BNC) showed superior mechanical properties compared to 10 % Silk-MA or 10 % Silk-MA with 0.25 % BNC (Silk-MA/0.25BNC). In vitro studies confirmed enhanced biomineralization with Silk-MA/0.75BNC, increased calcium deposits, and improved cell viability and metabolic activity with BNC incorporation. Hence, the 3D-bioprinted composite scaffolds were shown to effectively support cell proliferation, with the 0.75 % BNC bioink significantly stimulating osteogenic markers. These results underscore the potential of Silk-MA/BNC composite bioinks for advanced 3D bioprinting of BTE constructs.
Keywords: Additive manufacturing; bacterial nanocellulose; Bone repair; Methacrylated silk fibroin

Base mediated approach for the synthesis of deoxybenzoins using γ-aryl-β-ketoesters and benzoyl chlorides - Choudhary, Shailendra Singh; Darole, Ratanamala S.; Krishna, Gamidi Rama; Senthilkumar, Beeran (RSC Advances, 2025)
This study introduces a one-pot, transition metal-free strategy for synthesizing deoxybenzoins, overcoming the challenges of conventional methods. The reaction involves dual acylation of gamma-aryl beta-keto esters using K2CO3 in dioxane at 90 degrees C, followed by a concerted transformation to form deoxybenzoin. The protocol operates under mild conditions, tolerates a broad range of substrates, and produces minimal by-products, making it a practical, scalable alternative for accessing pharmaceutically relevant deoxybenzoins.

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

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.

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

Design and synthesis of PtPdNiCoMn high-entropy alloy electrocatalyst for enhanced alkaline hydrogen evolution reaction: a theoretically supported predictive design approach - Chandran, M. Athira; Dutta, Pritha; Singh, Prashant; Singh, Ashutosh K.; Prasad, Bhagavatula L. V. (Advanced Functional Materials, 2025)
Electrocatalytic hydrogen generation requires a cutting-edge, multifunctional electrocatalyst with abundant active sites to drive multielectron transfer reactions. High entropy alloys (HEA) are complex five or more-element alloy systems with high configurational entropy which makes them unique materials for next-generation electrocatalysts. Here, in this work, based on new screening guidelines for catalyst selections that combine density-functional theory calculated Gibbs formation-enthalpy with bond length and electronegativity variance, a novel HEA electrocatalyst consisting of five elements, namely, Pt, Pd, Ni, Co, and Mn is designed. By simple room temperature electrodeposition, the designed catalyst is prepared and its hydrogen evolution reaction (HER) is explored and validated through experimental and theoretical approaches. The HEA demonstrated a superior HER activity with an overpotential of 22.6 mV at -10 mA cm-2 which outperforms Pt/C commercial catalyst. No evident degradation of the material is detected even after 100 hours of continuous operation under high current density. Moreover, the HEA has shown exceptional performance in harsh electrolyte conditions such as in simulated seawater and actual seawater. Remarkably, the density-functional theory calculated small Gibbs formation-enthalpy (approximate to 0 eV) compared to Pt/C places the new HEA near the apex of Trasatti's model of Volcano plot, which is also suggestive of superior HER activity.
Keywords: DFT; electrocatalysts; Electronic Structure; HER; high-entropy alloys

Design, fabrication and comprehensive testing of biodegradable 3D printable hybrid polymer airway splints - Naik, Sonali S.; Vongsvivut, Jitraporn; Dekiwadia, Chaitali; Abraham, Amanda N.; Dutta, Naba K.; Choudhury, Namita Roy; Nair, Kiran Sukumaran (Journal of Materials Chemistry B, 2025)
The trachea plays a critical role in respiration and airway protection but is susceptible to damage from pathological conditions such as stenosis, fistula, obstruction, and malacia. While existing treatment options are useful, they often have limitations, driving the need for innovative alternatives. This study introduces a novel approach using 3D printing technology to create hybrid degradable tracheal splints made of pectin-g-polycaprolactone (pec-g-PCL). We synthesized and characterized various compositions of pec-g-PCL to assess their physicochemical properties and tested their suitability for 3D printing. The resulting materials demonstrated the potential for use as tracheal splints. Using CAD software, we created two distinct designs, which were then fabricated according to those specifications. Micro-computed tomography (micro-CT) imaging revealed splint porosities ranging from 80% to 90%, highlighting their intricate internal microarchitecture. Design verification was conducted through numerical simulations, based on finite element modeling (FEM), to evaluate mechanical properties and computational fluid dynamics (CFD) for assessing the airflow dynamics of the fabricated tracheal splints. Degradation studies indicated that the 3D-printed scaffolds exhibited approximately 30% degradation over a period of 35 days. In vitro, biocompatibility assessments confirmed the scaffold's compatibility with biological systems. These findings demonstrate the potential of pec-g-PCL-based tracheal splints as a promising solution to overcome limitations in current treatments. This research paves the way for advanced biomaterials that could revolutionize patient care by offering more effective solutions for managing tracheal disorders.

Development of novel ssDNA aptamers for detection of receptor-binding domain of SARS-COV-2 - Auti, Amogh; Yadav, Pranay; Bodkhe, Rahul; Bhandari, Yogesh; Varma, Sanjana; Chaudhari, Bhushan; Rahi, Shraddha; Ghormade, Vandana; Vamkudoth, Koteswara Rao (ACS Omega, 2025)
The highly virulent and transmissible SARS-CoV-2 causes COVID-19 and poses a global public health threat. Herein cloned, expressed, and the molecular weight of the receptor-binding domain (RBD) of the SARS-CoV-2 gene encoding protein was confirmed by SDS-PAGE electrophoresis and Western blot analysis. The pivotal aim is to develop single-stranded DNA (ssDNA) aptamers for the rapid detection of SARS-COV-2 infections in humans. In this investigation, a library of nine novel ssDNA aptamers was developed by several rounds of systematic evolution of ligands by an exponential enrichment approach and assessed by an enzyme-linked aptamer assay for binding affinity against RBD antigen (Ag). An in vitro assay resulted in a varied colorimetric signal that depends on the nature of aptamer. Quantitative determination of AptRBD3, AptRBD6, and AptRBD8 aptamers exhibited excellent binding affinity against Ag in the range of 5-10 ng/mL. The putative AptRBD3, AptRBD6, and AptRBD8 aptamers were converted into peptide sequences and docked against RBD, exhibiting good binding energy of -6.8, -6.3, and -7.1 kcal/mol respectively, which were recorded. Furthermore, docking studies of ssDNA aptamers were performed using HDOCK web server to ascertain the binding mechanism and docking score perceived as -389.74, -404.28, and -390.37. Despite this, we engineered a high-affinity AptRBD3.3 aptamer that formed a single and bulged loop, which improved binding affinity, resulted in a docking score of -361.56, and exhibited sensitivity at 4 ng of Ag of SARS-CoV-2. Moreover, computational modeling of AptRBD3.3 revealed an intriguing significant binding affinity with the RBD mutant SARS-CoV-2 S-UK variant (PDB ID: 7EDG) with a docking score of -350.21. In conclusion, the AptRBD3.3 aptamer can be used for the development of lateral flow device and electrochemical sensors for rapid, low-cost, and accurate detection of COVID-19 infection in humans for point of care diagnostics.

Dopant and exfoliation induced simultaneous modification of charge density and C―C coupling sites for efficient CO2 photoreduction to ethylene - Das, Kousik; Chakraborty, Subhajit; Kediya, Siddhi; Singh, Ashutosh Kumar; Das, Risov; Mondal, Soumi; Riyaz, Mohd; Goud, Devender; Dutta, Nilutpal; Vinod, Chathakudath P.; Peter, Sebastian C. (Angewandte Chemie-International Edition, 2025)
The photochemical conversion of CO2 into C2+ products has emerged as an attractive method for synthesizing valuable chemicals and fuels using abundant solar energy. However, the challenge lies in enhancing the efficiency and selectivity of C2+ product formation. In this study, we employed a heteroatom doping strategy to optimize the photocatalytic parameters and achieve excellent efficiency and selectivity in the photocatalytic CO2 reduction to C2+ product formation. Our experimental analysis revealed that the local electronic structure of the catalyst, modified by In-doping, enables enhanced efficiency. Additionally, the incorporation of Cu facilitates the coupling of C1 intermediates, resulting in excellent selectivity towards C2+ products. The CO2 reduction performance is further enhanced through exfoliation, which increases the exposure of active sites and extends the charge carrier lifetime by reducing the charge diffusion length. We report that the rate of formation of C2H4 reached 54.3 mu molh(-1)g(-1) with an outstanding selectivity of 91% over the exfoliated CuIn-doped AgBiP2S6 catalyst. By elucidating the role of heteroatom doping and exfoliation in enhancing both the efficiency and selectivity of C2+ product formation, our study contributes to advancing the development of sustainable and efficient photocatalytic CO2 conversion technologies.
Keywords: C & horbar; C coupling; CO2 reduction; Doping; Exfoliation; Photocatalysis

Effectiveness of 3-amino-2-thiocyanato-α, β-unsaturated carbonyl compounds against chikungunya virus - Alagarasu, Kalichamy; Dhote, Radhika; Bagad, Pooja K.; Kharikar, Dwidhesh; Patil, Poonam; Roy, Diya; Shukla, Shridhar; Cherian, Sarah; Senthilkumar, Beeran; Parashar, Deepti (Future Medicinal Chemistry, 2025)
Aim Chikungunya fever (CHIKF) caused by the chikungunya virus (CHIKV) is characterized by the presence of long-term polyarthralgia in a minor proportion of the infected patients. Currently, there are no FDA-approved antivirals available. This study evaluated the anti-CHIKV potential of 16 synthetic 3-amino-2-thiocyanato-alpha, beta-unsaturated carbonyl compounds and elucidated their probable mechanisms of action. Methods Anti-CHIKV activity of 16 compounds were investigated in Vero CCL-81 cells using focus forming unit assay (FFU). Dose-dependent and time-dependent antiviral assays were performed for the effective compounds. Molecular docking was performed to find out their interactions with viral proteins. Results Five compounds showed promising anti-CHIKV activity by reducing viral titer with >1 log10 FFU/ml. Dose-dependent studies revealed that the compound 3 g was more effective in reducing the virus titer with a half-maximal inhibitory concentration (IC50) of 0.4315 mu M and a selectivity index of 35.99. Docking analyses revealed that all the compounds mainly interact with the non-structural proteins of CHIKV. Conclusions These findings demonstrate the in vitro anti-CHIKV activity of these compounds, and their possible mode of action via interference with early stages of infection and replication processes. This study warrants further preclinical and clinical evaluation to establish their safety and efficacy as novel anti-CHIKV therapeutics.
Keywords: 3-amino-2-thiocyanato-alpha; antivirals; beta-unsaturated carbonyl compounds; Chikungunya virus (CHIKV); nsP2 helicase; therapeutics

Efficient synthesis of 3,3′-Spirooxindole γ-Butyrolactone via Rongalite-mediated domino reductive aldol and spiro-lactonization reactions - Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Kinage, Anil K. (ChemistrySelect, 2025)
In this study, we develop a novel methodology involving rongalite-mediated domino reductive/aldol reaction, followed by spiro-lactonization of 2-oxoindolin-3-ylidene acetates/malonates in presence of base to synthesis of 3,3 `-spirooxindole gamma-butyrolactone. The detail study, such as effect of solvent, effect of different base and substrate has been carried out. Scale up of this methodology is also done. Sodium hydroxymethanesulfinate dihydrate (rongalite) concurrently has a dual role in this context; it acts as a reducing agent as well as C1 synthon. This approach offers several advantages, such as being metal- and catalyst-free, involving a simple reaction protocol, having a wide substrate scope, using water as a green solvent, and providing good to excellent yields of the products under mild reaction conditions.
Keywords: (+/-) Coixspirolactam A & [3; 3 `-spirooxindole gamma-butyrolactone]; Domino reductive/aldol/spiro-lactonization; Good step economy; Rongalite as reductant & C1 synthon; Water as a green solvent

Electrochemical deconstruction of waste polyvinylidene chloride (PVDC) to value-added products in batch and flow - Mishra, Subhadip; Kar, Sourav; Rangappa, Raghavendrakumar; Patil, Prashant; Kadam, Vijay; Chikkali, Samir H.; Samanta, Ramesh C. (Chemistry-A European Journal, 2025)
Chlorinated polymers have made enormous contributions to materials science and are commercially produced on a large scale. These chlorinated polymers could be recycled as chlorine sources to efficiently produce valuable chlorinated compounds owing to their facile release of HCl. Although the thermal stability of PVDC is low compared to PVC, this can be advantageous in terms of easy and fast dehydrochlorination. Herein, we report an efficient electrochemical chlorination using poly(vinylidene chloride) (PVDC) as a chlorine source that works in an undivided cell and applies to a good number of examples. This method works on commodity polymers such as waste PVDC-PVC pharma blister film, PVDC-PO multilayer food packaging, and compression molded sheets of Ixan PVDC (with heat stabilizer) with similar efficiency. Furthermore, this method also provides the dechlorination of PVDC up to 98 %, leading to unsaturated dechlorinated material. Converting PVDC into more stable unsaturated compounds, the release of harmful chlorine-containing gases during incineration can be minimized. Additionally, this method is not only restricted to batch processes but an electroflow process for PVDC dechlorination and electrosynthesis has also been demonstrated.
Keywords: chlorination; Electrochemical recycling; Electroflow-synthesis; Graphitic material; Polyvinylidene chloride

Enhanced electrocatalytic performances of NiCr layered double hydroxides by oxalate intercalation in anion exchange membrane water electrolysis - Pal, Santanu; Sinha, Nibedita; Das, Chandni; Chauhan, Inderjeet; Ahmed, Tanbir; Roy, Poulomi (ACS Applied Materials & Interfaces, 2025)
Layered double hydroxides (LDHs) have attracted much attention these days in the field of water electrolysis due to easy modulation in their layered structure and properties. Herein, NiCr-LDH has been developed, and its interlayer spacing has been considerably increased by oxalate intercalation. Such increased interlayer spacing allows easy access of hydroxides to a large number of electroactive sites and thereby boosts the electrocatalytic performances both for oxygen and hydrogen evolution reactions. Being very active toward both the electrocatalytic reactions, the oxalate-intercalated NiCr-LDH was further explored in an alkaline anion exchange membrane water electrolyzer (AEMWE), achieving 800 mA cm-2 at 1.88 V cell voltage at an operating temperature of 60 degrees C. In fact, the electrolyzer efficiency has been determined to be as high as 69.66%, and the calculated H2 production cost was found to be \$0.97 per gasoline-gallon equivalent, which is well below the targeted cost by the Department of Energy, USA. The electrocatalyst was also examined in harsh alkaline media, like highly saline or seawater, which also indicated its ability to carry out sustainable seawater electrolysis, restricting chlorides to a great extent. Interestingly, post-electrolysis characterization reveals the fact that oxalate decomposition aided carbonate formation within interlayers of NiCr-LDH, and high affinity toward hydroxides is responsible for restricting chlorides during the electrolysis process, apart from the great electrocatalytic activity.
Keywords: Anion exchange; hydrogen production; interlayerspacing; Layered double hydroxide; Sustainable; water electrolyzer

Enhanced Production and Techno-Economic Analysis of Sustainable Biofuel Production via Continuous Hydrogenation of Furfural Using the Cu-ZnO-Al2O3 Catalyst - Saha, Biswajit; Racha, Arundhathi; Chaudhary, Puneet Kumar; Singh, Brijesh Kumar; Samanta, Chanchal; Newalkar, Bharat L. (ACS Sustainable Chemistry & Engineering, 2025)
2-Methylfuran is a perfect green solution on the pathway of finding alternative fuels. We report here for the first time the continuous production of 2-methylfuran (2-MF), a sustainable biofuel from biomass-derived furfural (FFA), over an industrial Cu-ZnO-Al2O3 (CZA) catalyst. The modified coprecipitation method provides a uniformly dispersed crystalline structure to the synthesized catalysts, along with intended copper (Cu) loading achievement. Different Cu loadings affect the catalytic behavior and activity. Hence, CZA catalysts with two Cu loadings of 9.8 and 4.7% were studied in detail, denoted as C1 and C2, respectively. The catalysts were characterized via XRD, N-2 adsorption, H-2-TPR, NH3-TPD, XPS, ICP-MS, and TEM. Remarkably, the prepared catalysts demonstrate balanced acid sites with mesopores, a high surface area and pore volume, and better controlled nanoparticle size promoting catalytic activity. TEM and H-2-TPR studies reveal a better Cu dispersion. Existence of Cu2+ and Cu (+) even after reduction by XPS study proves the efficiency of the synthesized catalysts. Furthermore, TGA indicates the stability of CZA catalysts. To understand catalytic activity and selectivity, the investigation was carried out in a packed-bed fixed-bed stainless steel reactor. Better physiochemical properties result in high FFA conversion of 33.8% and selectivity of 99.6% for 2-MF. No side products were formed during reaction otherwise improbable via the continuous method. Compared with available literature, the CZA catalyst was found to exhibit superior catalytic performance. The reaction kinetics of furfural hydrogenation to 2-methylfuran was investigated, and it was found that the reaction order is high, and the activation energy was 61.2 kJ/mol. The rate constant k clearly obeyed the Arrhenius law from 180 to 220 degrees C. In addition, evaluation of reaction kinetics also indicated the absence of ring hydrogenation and decarbonylation products, which is difficult to achieve. Finally, the process shows significant economic viability, which resulted in the minimum levelized production cost for 2-methylfuran of 173,068.16 \$/ton with 78.32% overall energy efficiency.
Keywords: 2-methylfuran (2-MF); continuous production; Cu-ZnO-Al2O3; economic viability; furfural; green synthesis

Enzymatic pathway for kupyaphore degradation in mycobacterium tuberculosis: mechanism of metal homeostasis and turnover - Bhosale, Rashmi S.; Chakraborty, Arnab; Wong, Tsung-Yun; Masal, Dattatraya P.; Choudhury, Rahul; Srivastava, Sonali; Reddy, D. Srinivasa; Aldrich, Courtney C.; Kamat, Siddhesh S.; Mohanty, Debasisa; Gokhale, Rajesh S. (ACS Chemical Biology, 2025)
Metallophores are essential for metal homeostasis, regulating availability, and mediating host-pathogen interactions. Kupyaphores are specialized metallophores produced by Mycobacterium tuberculosis (Mtb) that primarily chelate zinc to support bacterial survival. Elevated kupyaphore levels early in infection highlight their importance, while their rapid decline, despite increasing bacterial loads, indicates tightly regulated mechanisms of production, consumption, and degradation. However, the processes driving kupyaphore catabolism and their role in preventing zinc toxicity in Mtb remain unclear. Here, we show that covalent modification of the isonitrile moiety in kupyaphores releases zinc, triggering degradation through a sequential three-step enzymatic pathway encoded by Mtb. Isonitrile hydratase converts isonitrile groups into formamides, which are subsequently processed into amines by N-substituted formamide deformylase and ultimately oxidized to beta-ketoesters by amine oxidases. The biological significance of this pathway is underscored by the upregulation of these genes under metal-depleted and biofilm-forming conditions. Mutant Mtb strains lacking these genes exhibit impaired growth in metal-limiting environments and reduced levels of biofilm formation. Catalytic intermediates detected in Mtb cultures and infected mouse lung tissues confirm the pathway's in vivo activity. Further, genome mining reveals that similar enzymes are conserved across organisms producing isonitrile-containing metabolites, emphasizing the broader importance of this pathway. Understanding these processes could pave the way for novel therapeutic strategies targeting kupyaphore catabolism.

Europium oxide on carbon nitride for electrocatalytic glycerol oxidation coupled with hydrogen evolution reaction - Jana, Jayasmita; Sharma, Tata Sanjay Kanna; Ghanem, Mohamed A.; Choi, Won Mook; Gopinath, Chinnakonda S.; Hur, Seung Hyun (Separation and Purification Technology, 2025)
{The integration of the electrochemical glycerol oxidation reaction (GOR) with the hydrogen evolution reaction (HER) has emerged as a promising alternative to the sluggish oxygen evolution reaction (OER) in water splitting toward the development of renewable and clean energy sources. However, suitable electrodes that facilitate redox kinetics while increasing the selectivity of the desired product(s) are still required. Herein, a series of europium oxide (Eu2O3) anchored on graphitic carbon nitride (g-CN) nanoaggregates (g-CNEux
Keywords: carbon support; electrocatalysis; Glycerol; HER; Rare earth metal

Formal Synthesis of Corynanthe Indole Alkaloid (±)-Mitralactonine: Construction of α-Hydroxy-Keto Functionalized Tetracyclic Skeleton - Dumare, Nilesh B.; Sharma, Pallavi; Sivappa, Rasapalli; Chavan, Subhash P. (Chemistryselect, 2025)
An efficient synthesis of a tetracyclic skeleton common to many corynanthe alkaloids was accomplished in 10 linear steps starting from a known tetrahydro beta-carboline intermediate. The tetracyclic alpha-hydroxy keto functionalized advanced precursor of (+/-)-mitralactonine was realized using Wittig olefination, ketohydroxylation of a trisubstituted alkene, and a tandem amine unmasking-intramolecular nucleophilic displacement reaction for C-N bond formation of C/D-rings.
Keywords: alpha-hydroxy keto; beta-carboline; corynanthe alkaloid; intramolecular N-alkylation; mitragynine

Functionalized gold nanorods (GNRs) as a label for the detection of thyroid-stimulating hormone (TSH) through lateral flow assay (LFA) - Varma, Sanjana; Burade, Dimpal K.; Chaudhari, Bhushan P. (Emergent Materials, 2025)
Thyroid-stimulating hormone (TSH) is an important biomarker of thyroid dysfunctions. Different types of nano biosensors have been developed to detect TSH. However, there is a lacuna in the development of sensitive paper-based nano biosensors due to less sensitivity and instability of the labels. Interestingly, the intense color and localized surface plasmon resonance (LSPR) property make gold nanorods (GNRs) an efficient lateral flow assay (LFA) label instead of spherical gold nanoparticles. The rapidity, simplicity and user-friendly functioning of LFAs make them a predominant technique compared to electrochemical techniques for point-of-care diagnosis. This proof-of-concept study underlines the role of stable GNRs as a novel label for LFAs. The TSH antibody functionalized GNRs can semi-quantitatively diagnose hyperthyroidism and hypothyroidism. The limit of detection (LOD) of the LFA is 0.3 µIU/mL, determined by visually analyzing the color development at the test line without employing any quantification method. Moreover, the study provides a comprehensive understanding of seed-mediated synthesis and functionalization of GNRs, which would benefit the researchers in suitably designing the GNRs-based labels for LFAs. Considering their exceptional characteristics, GNR-based LFAs are expected to surpass other labelling nanomaterials in detecting various biological markers. This enhanced sensitivity could significantly improve the clinical utility of diagnostic kits.

Is GCR1 the GPR157 of plants? - Gotkhindikar, Aditi; Chakravorty, David; Sengupta, Durba; Joshi, Manali; Assmann, Sarah M. (PLANT PHYSIOLOGY, 2025)

Gold nanorods (GNRs): a golden nano compass to navigate breast cancer by multimodal imaging approaches - Varma, Sanjana; Bamb, Aagam Lalit; Haldar, Niladri; Gajbhiye, Virendra; Amalnerkar, Dinesh; Chaudhari, Bhushan Pradosh (Journal of Biomedical Materials Research Part B-Applied Biomaterials, 2025)
The ongoing rise in the incidences of breast cancer cases has concerned medical and scientific personnel around the world. Adequate treatment of cancer predominantly relies on the pertinent diagnosis of the type of cancer as well as other molecular and cellular details at the initial stage only. Surprisingly, up till now, there is no single, self-reliant imaging modality that helps to systematically find out the anatomical and functional events taking place inside the body. This resulted in the advent of the multimodal imaging concept, which encompasses the integration of complementary imaging modalities by designing multimodal imaging probes. Gold nanorods (GNRs) are extremely popular and effective nanoparticles for multimodal bioimaging due to their unique properties. Researchers have designed varieties of stable and biocompatible GNR-based probes for targeted and nontargeted multimodal imaging of breast cancer. However, there is a lack of investigations on the in vivo fate and the toxicity of GNRs. Thus, their preclinical to clinical translation can be attained by comprehensively determining the in vivo fate and toxicity of GNRs. The review provides details about the GNRs-based nanoprobes fabricated so far for breast cancer imaging, which, by consequent studies, can be taken up to clinical usage.
Keywords: Breast cancer; Gold nanorods; imaging probes; Multimodal Imaging

Green synthesis and characterization of gold nanoparticles using pomegranate peel extract for inhibition of calcium oxalate crystals and uropathogenic bacteria - Mundhewadikar, Dhananjay M.; Bhalerao, Minal R.; Vairale, Shiva; Sabir, Safiya; Mote, Chandrashekhar; Chowdhury, Chiranjit; Agawane, Sachin B. (BioNanoScience, 2025)
This study explores the therapeutic potential of pomegranate peel extract (PPE) and its gold nanoparticle conjugate (PPE-AuNP) in the prevention and treatment of urolithiasis. Pomegranate peels collected from four agro-climatic zones of India exhibited consistent methanolic extract yields (10–17%) and total phenolic content, with the highest levels observed in the West zone. Green synthesis of PPE-AuNPs was confirmed through UV–Vis spectroscopy (λmax = 522 nm), DLS (38.2 ± 2.1 nm), zeta potential (-33.66 ± 2.97 mV), and TEM imaging, which showed uniform spherical nanoparticles. Characterization confirmed that PPE-AuNPs were crystalline and phytochemically capped. FTIR shifts in O–H, C = O, and C–O bands, along with a ~ 500 cm-1 Au–O/N vibration, confirmed phytochemical-mediated reduction and stabilization. XRD revealed an FCC structure with a dominant (111) plane, indicating high crystallinity. The synthesized nanoparticles demonstrated antioxidant activity with an IC50 of 21.53 µg/mL, superior to PPE and AuNP alone. In vitro calcium oxalate crystallization assays revealed significant crystal inhibition by PPE-AuNPs, confirmed via E-SEM, EDAX, and XRD analyses. Antibacterial studies against E. coli, K. pneumoniae, S. aureus, and uropathogenic E. coli showed MIC values of 31.25–62.5 µg/mL for PPE and PPE-AuNPs, with negligible activity from AuNP alone. In vivo studies in ethylene glycol-induced urolithiatic rats revealed significant improvement in urinary parameters, renal biochemistry (creatinine, urea, SGPT, SGOT), hematological markers, and histopathology, especially in the PPE-AuNP-treated group. PPE-AuNP treatment normalized urinary appearance, reduced serum creatinine and blood urea nitrogen (BUN), and restored renal architecture with minimal degeneration. The enhanced therapeutic effects of PPE-AuNPs are attributed to their bioactive phenolic surface ligands and colloidal stability. Overall, this study demonstrates the synergistic efficacy of PPE-AuNPs as a potent, green nanotherapeutic agent for urolithiasis, offering antioxidant, antibacterial, and nephroprotective effects with promising translational relevance.

Growth of Mo-doped Ni3S2 nanorods array for superior overall water splitting reaction - Sharma, Pooja; Khandare, Lina; Saha, Arindam; Chaure, Nandu B.; Yengantiwar, Ashish (International Journal of Hydrogen Energy, 2025)
Designing novel, efficient and cost-effective dual-functional electrocatalyst for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) using an alkaline electrolyte is crucial for establishing a sustainable hydrogen economy and transitioning to a society powered by renewable energy sources. In the present work, Mo-doped nickel sulfide (Mo-Ni3S2) nanorods were grown on Ni-treated nickel foam (N-NF) substrate via a two-steps hydrothermal method. Specifically, Mo-Ni3S2/N-NF surface consists of nanorods-like morphology, which provides extensive area for percolation of electrolyte, that resulting in outstanding catalytic performance. Such a well-synthesized electrode exhibited superior performance and stability for OER as compared with pristine Ni3S2/NF and bare nickel foam (NF) electrodes. In addition, Mo-Ni3S2/N-NF electrode provides good HER activity and confirms its dual-functionality in alkaline medium. Our champion Mo-Ni3S2/N-NF electrocatalyst delivers best OER overpotential of 230 mV at current density of 100 mA/cm(2). Also, it provides HER overpotential of 100.6 mV at a current density of 10 mA/cm(2). Both OER and HER are carried out in the presence of 1 M KOH alkaline electrolyte. OER stability of the best-performed Mo-Ni3S2/N-NF electrode demonstrates almost constant current density similar to 120 mA/cm(2), which retains 90% of original value after continuously tested for the duration of 22 h. The total cell voltage of 1.56 V is provided by Mo-Ni3S2/N-NF integrated system and it demonstrates a good stability for duration of 22 h. Our approach provides a new insight into developing earth-abundant, inexpensive and superior dual-functional electrocatalyst for overall water splitting reaction (WSR).
Keywords: Dual-functional electrocatalyst; HER; Mo doping; Nickel sulfide nanorods; OER; overall water splitting

An integrated paradigm to understand the antibacterial and antifungal potential of bimetallic core-shell platinum silver (Pt@Ag) nanoparticles: A one health approach - Bamb, Aagam Lalit; Varma, Sanjana; Gade, Tejas Subhash; Palaskar, Shahaji; Vamkudoth, Koteswara Rao; Vyawahare, Niraj; Chaudhari, Pallavi M.; Chaudhari, Bhushan P. (Microbial Pathogenesis, 2025)
The concurrent occurrence of various microbial infections escalates the need to develop new treatments that can tackle multiple microbes and improve clinical outcomes. This study reports the synthesis and comprehensive evaluation of core-shell platinum-silver nanoparticles (Pt@AgNPs) designed to elucidate the antimicrobial effects while ensuring biocompatibility. The synthesis protocol was meticulously optimized to investigate the impact of precursor concentrations and reagent conditions. High-end characterization confirmed the formation of a welldefined core-shell structure with spherical morphology, crystalline nature, a face-centred cubic (FCC) lattice, high monodispersity, and stability, with a mean size of 20.344 +/- 4.492 nm. The antimicrobial potential of Pt@AgNPs was validated through a minimum inhibitory concentration (MIC) assay, revealing potent activity with MIC values of 15.6 mu g/mL for Pseudomonas aeruginosa and Staphylococcus aureus and 3.9 mu g/mL for Escherichia coli. Antibiofilm assay demonstrated significant inhibition of biofilm formation by P. aeruginosa at concentrations as low as 3.9 mu g/ml. The nanoparticles also exhibited notable antifungal activity, as indicated by an inhibition of 65.19 % for Aspergillus niger and 61.82 % for Fusarium verticillioides. Furthermore, hemocompatibility was noticed with the hemolysis assay, and the antioxidant properties of nanoparticles, assessed through the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay, underscored their potential to mitigate oxidative stress. This integrative study positions Pt@AgNPs as a promising platform for combating the occurrence of co-infections. The core-shell nanoparticle serves as a versatile tool in antimicrobial defence, exhibiting antibacterial, antifungal, antibiofilm, and antioxidant activity. Thus, it highlights their commercial translational potential as a next-generation antimicrobial intervention.
Keywords: Antibacterial; antibiofilm; antifungal; Antioxidant; Co-infections; Pt@Ag nanoparticles

Ionic liquid driven Refined functionalization of graphene oxide: An insight via combined experiments and theory - Kewat, Heera Lal; Dutta, Debangkana; Ajithkumar, T. G.; Chavda, Dhruvil; Sharma, Rahul Kumar; Tiwari, Mrityunjay K.; Sidiqi, Ubaid; Manna, Moutusi; Nigam, Sandeep; Ghosh, Pushpal (Carbon, 2025)
Functionalizing graphene and its derivative, or doping them with heteroatoms can significantly enhance their optoelectronic, photonic and bio-photonic properties; but controlled and tuneable functionalization of GO is still in their infancy. Herein, a series of functionalized graphene oxide (FGO) are synthesized solvothermally by using task specific ionic liquids (ILs) of varying alkyl chain length; 1-alkyl-3-methylimidazolium tetra fluoroborate, [Cnmim]BF4 (n = 2, 4 etc.). ILs are not only used as a solvent but also as source of fluoride ion for functionalization of GO. A drastic decrease in the oxygen containing functional groups of GO upon fluorination is evidenced by FTIR, Raman, XPS, EDX analysis and electrochemical study. Solid state 19F NMR spectroscopy indicates that, fluorination happens exclusively in edge positions, not on basal planes. Band gap of FGOs decreases along with increasing the chain length of ILs. Further, intense blue emission and high photocatalytic efficiency, using crystal violet as model dye are observed for all the FGOs under visible light. The tailored functionalization by varying alkyl chain length of IL has been rationalized by DFT calculations. It has been realized that owing to the ease of dissociation for [Cnmim]BF4 complexes with n >= 10; greater extent of fluorination/functionalization of GO has been observed. Elimination of a non-covalent interaction on increasing the alkyl chain length has been attributed for lower stability of higher chain length IL which in turn renders ease of dissociation. Easy yet controlled functionalization of GO using tuneable ILs can open a new direction in the environment friendly synthesis and applications.
Keywords: fluorination; Functionalization; graphene oxide; ionic liquids; Luminescence; Photocatalysis

Iron-catalyzed chemoselective reduction of enimines to N-Allylic amines via hydrosilylation - Tewari, Tanuja; Shaikh, Maulali H.; Sharma, Himanshu; Vanka, Kumar; Chikkali, Samir H. (Asian Journal of Organic Chemistry, 2025)
Chemoselective hydrosilylation of unsaturated imines is challenging as the two double bonds compete for the reaction. Here in, we report an iron-catalyzed chemoselective hydrosilylation of enimines leading to the generation of allyl amines in the presence of phosphine ligand. A low-valent Fe(0) complex [(BDA)Fe(CO)3] catalyzed the hydrosilylation of enimine at room temperature and exhibited broad substrate scope including a variety of enimine (cinnamylimine, allylimine) and ketimine. Mechanistic investigations revealed that the reaction proceeds through an oxidative addition of the silane compound, leading to the formation of an iron hydride intermediate. Subsequently, a two-electron pathway facilitates the hydrosilylation of the enimine substrate. This has been supported by preparing a well-defined Fe(II)-silane complex and using it as a catalyst control. Based on experimental and computational investigations, a plausible Chalk-Harrod-type mechanism is proposed.
Keywords: Cinnamyl amine; Imine hydrosilylation; iron catalysis; Iron hydride; Phosphine

Metal deficiency tuned charge transfer in intermetallic Ni2-xSn (x =0.37-0.65) enhances selective conversion of furfural to furfuryl alcohol towards the theoretical limit - Cherevotan, Arjun; Singh, Ashutosh Kumar; Yadav, Anish; Maligal-Ganesh, Raghu V.; Raj, Jithu; Pulparambil, Anu; Goud, Devender; Vinod, Chathakudath P.; Peter, Sebastian C. (Journal of Materials Chemistry A, 2025)
Heterogeneous catalysis facilitated by intermetallic nanoparticles has recently been the subject of increased scrutiny, given the enhanced selectivity and stability they bestow on many chemical reactions compared to their monometallic components. This paper explores a series of Ni-Sn (Ni2-xSn, where x = 0.65, 0.5, 0.37) intermetallic compounds supported on a high-surface-area support, SBA-15, as catalysts for the selective hydrogenation of furfural to furfuryl alcohol. Rietveld refinements of the X-ray diffraction data show catalysts with mixed intermetallic phases that assist in the catalysis. At the same time, X-ray photoelectron spectroscopy (XPS) studies and X-ray absorption studies indicate the role played by charge transfer from Sn to Ni for the catalysis. Selectivity to the desired furfuryl alcohol in all the intermetallic samples was high (>97%), but Ni1.35Sn had a relatively lower conversion than the other intermetallic compounds.

Moisture- responsive controlled-release herbicide system using guar gum and nano cellulose for sustainable weed management in rainfed agriculture - Prasanna, Jakku; Marimuthu, S.; Gowtham, G.; Shanmuganathan, K.; Lakshmanan, A.; Chandana, Pebbeti; Karthikeyan, S.; Somasundaram, E. (Results in Engineering, 2025)
<span style="color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;">Weed management poses a significant challenge in rainfed agricultural system, with chemical control being the predominant strategy due to its expeditious nature. However, the efficacy of herbicides in these systems is heavily dependent on optimal soil moisture, making the application of pre-emergence herbicides difficult due to erratic rainfall patterns. Sudden rainfall events post-sowing can result in sticky or muddy fields, complicating the application process and leading to infrequent use of pre-emergence herbicides in rainfed agriculture. To address these challenges, an innovative approach was developed involving the herbicide molecules entrapment in hydrogel matrices synthesized from biopolymers. This study focuses on the design and preparation of atrazine-loaded hydrogel using guar gum and nanocellulose, aimed at managing weeds in maize crops, which are prevalent in rainfed regions. The paper details the protocol for synthesizing the hydrogels and entrapment of atrazine, characterizing the formulations, and conducting pot validation trials to assess phytotoxicity and weed control efficacy compared to commercial atrazine application. The results demonstrated high water retention capacities and entrapment efficiency of the hydrogel for preferable application. FTIR analysis confirmed the presence of atrazine at 802 cm<span style="box-sizing: border-box; margin: 0px; padding: 0px; line-height: 0; position: relative; vertical-align: baseline; top: -0.5em; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif;">-1<span style="color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;"> and other excipients in the encapsulated formulations, while XRD analysis verified the presence of nanocellulose. The release pattern indicated a sustained and controlled release of atrazine from the hydrogels over 40 h in-vitro studies, compared to the complete dissolution of pure atrazine within three hours. Screening trial further validated the crop safety and improved weed control efficiency of the entrapped formulations relative to commercial atrazine. The encapsulated formulations using biopolymer-based hydrogels show promise as a viable alternative for weed management in rainfed agriculture, offering controlled herbicide release and improved application efficiency under variable moisture conditions.

Multifunctional luminogens with synergy of aggregation-induced delayed fluorescence, two-photon absorption and photocurrent generation - Chatterjee, Abhijit; Narayanan, Sundaravalli; Thorat, Sachin; Malik, Ajay J.; Ambhore, Madan D.; Narayanan, Aswini; Sihag, Anil Kumar; Babu, Sukumaran Santhosh; Lahiri, Mayurika; Hazra, Partha (Chemical Communications, 2025)
In this study, we investigated the aggregation-induced delayed fluorescence (AIDF) properties of three luminogens - TN, TA, and TP. Our comprehensive theoretical analysis reveals a significant reduction in the Delta EST in their aggregated or solid-state, activating TADF, on a similar to mu s time-scale. Additionally, these luminogens demonstrate two-photon excited anti-Stokes photoluminescence emission and improved photocurrent generation, attributed to their strong charge transfer characteristics and longer singlet exciton lifetimes.

Mycobacteria-specific prodrug to overcome phenotypic AMR in mycobacterium tuberculosis - Kumar, T. Anand; Birua, Shalini; Mallojjala, Sharath Chandra; Mukherjee, Piyali; Singh, Samsher; Kaul, Grace; Ramachandran, Aparna; Akhir, Abdul; Chopra, Sidharth; Gadgil, Chetan J.; Hirschi, Jennifer S.; Singh, Amit; et al. (Journal of Medicinal Chemistry, 2025)
Most front-line tuberculosis (TB) drugs are ineffective against hypoxic nonreplicating Mycobacterium tuberculosis (Mtb), largely due to poor permeability, leading to reduced drug accumulation and target engagement. To overcome this phenotypic antimicrobial resistance (AMR), we developed nitroheteroaryl prodrugs for Moxifloxacin (MXF), a front-line TB drug. These prodrugs are activated by bacterial nitroreductases (NTR), which are overexpressed in hypoxic Mtb. NTR-mediated electron transfer and protonation facilitate rapid cleavage of the protective group, releasing active MXF. The lead prodrug exhibited comparable efficacy to MXF in replicating Mtb and significantly enhanced lethality in nonreplicating Mtb. Drug accumulation studies confirmed a modest but significant increase in MXF levels in nonreplicating Mtb treated with the prodrug, suggesting improved permeability. A mathematical model integrating growth and drug-killing kinetics further elucidated how permeability differences impact lethality. Together, these findings highlight enzyme-activated prodrugs as a promising strategy to address phenotypic AMR in Mtb

NiFeMo layered triple hydroxide and MXene heterostructure for boosted oxygen evolution reaction in anion exchange membrane water electrolysis - Pal, Santanu; Chaturvedi, Ekta; Das, Chandni; Sinha, Nibedita; Ahmed, Tanbir; Roy, Poulomi (Nanoscale, 2025)
Efficient, low cost and stable electrocatalysts are highly desirable for overcoming the sluggish kinetics of the oxygen evolution reaction (OER) in alkaline water electrolysis for hydrogen production. Interfacial engineering of heterostructures is quite beneficial for improving charge transfer efficiency at the interface. In this context, heterostructures of layered triple hydroxides (LTHs) and MXenes have shown great potential as OER electrocatalysts owing to their 2D-2D structure and unique physiochemical properties. Coupling LTHs with MXenes can potentially enhance their conductivity and stability, thereby boosting OER activity. In this study, we report a heterointerface between NiFeMo-LTH on Ti3C2Tx MXene, which exhibited superior catalytic activity and stability in alkaline freshwater and seawater, reducing the activation energy. Importantly, the heterostructure achieved a current density of 100 mA cm-2 at the cost of 292 mV and 340 mV overpotentials in alkaline saline water and real seawater, respectively, and showed robustness over 100 h without hypochlorite formation in alkaline real seawater, exhibiting corrosion-resistant behaviour. Moreover, NiFeMo-LTH/MXene explored in alkaline anion exchange membrane water electrolyzer (AEMWE) achieved a current density of 750 mA cm-2 at 2.16 V cell voltage at an operating temperature of 60 degrees C with an energy efficiency of 60.5%. Raman analysis and XPS analysis post stability test demonstrated easy electron transfer from LTH to MXene at the heterointerface, leading to the formation of NiOOH electroactive species that facilitated the OER activity.

Peganutonin A: computationally informed synthesis of its revised structure - Saranya, N. Sathya Sai; Choudhury, Rahul; Supekar, Prathmesh R.; Beduru, Srinivas; Williams, Craig M.; Elyashberg, Mikhail E.; Kutateladze, Andrei G.; Bates, Roderick W.; Reddy, D. Srinivasa (Journal of Natural Products, 2025)
The structure of the recently isolated natural product peganutonin A was shown to be incorrect by analysis of the reported spectroscopic data, and therefore, the structure was reassigned utilizing computational methods. Subsequently, the computationally proposed reassignment was confirmed by total synthesis, which was achieved in seven steps from 6-methoxyindole. It is assumed that peganutonin A is not a natural product but an artifact arising from photooxidation of the alkaloid harmaline.

Platinum-free electrocatalysts based on electrodeposited Co-Mn-Ni alloys for efficient electrocatalytic alkaline water splitting - Chandran, M. Athira; Dutta, Pritha; Singh, Ashutosh K.; Prasad, Bhagavatula L. V. (ACS Applied Energy Materials, 2025)
The development of a Pt-free electrocatalyst for efficient and stable water splitting is crucial for the commercialization of green hydrogen production. A low-cost electrocatalyst with good hydrogen and oxygen evolution activities (HER and OER, respectively) displaying long durability is the first step in this direction, and if the catalyst can be synthesized via an easy, convenient, and scalable procedure, that would be an added advantage. Multicomponent alloys, with their tunable compositions and abundant active sites, present a promising solution in this direction. Herein, a cost-effective CoMnNi (CMN) alloy is synthesized via electrodeposition and with optimized composition by tuning the electrolyte concentration and deposition potential to enhance electrocatalytic performance. The resulting single-phase alloy exhibits a high electrochemical surface area with an average particle size of similar to 4 nm, demonstrating excellent hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) activities in 1 M KOH, with overpotentials of 121 mV at -10 mA cm-2 and 285 mV at 20 mA cm-2, respectively. Moreover, the catalyst exhibits remarkable stability, sustaining 100 h of operation at 100 mA cm-2. The CMN alloy also performs efficiently under harsh conditions, including 6 M KOH and alkaline seawater, in both symmetric and asymmetric cell configurations. This work highlights the potential of multicomponent alloys as durable, high-performance electrocatalysts for scalable water splitting, paving the way for sustainable hydrogen production.
Keywords: alkaline seawater; electrocatalysis; Electrodeposition; hydrogen evolution reaction(HER); multicomponentalloy; oxygen evolution reaction (OER); stability; watersplitting

Probing solvent fluctuations in deep eutectic solvents: Influence of probe charge and nano-domain localization - Chowdhury, Tubai; Pathania, Akhil; Ravindranathan, Sapna; Bagchi, Sayan (Journal of Chemical Physics, 2025)
Deep eutectic solvents (DESs) segregate into hydrogen bond acceptor or hydrogen bond donor (HBD) rich nano-domains, leading to molecular heterogeneity. Understanding how this heterogeneity affects the DES structure and dynamics is essential. In this study, we used two-dimensional nuclear magnetic resonance (2D NMR) and two dimensional infrared (2D IR) spectroscopies, combined with molecular dynamics (MD) simulations, to investigate solvation structure and dynamics in two choline chloride-based DESs with different HBDs-levulinic acid and glycolic acid. We introduced two thiocyanate vibrational probes, methyl thiocyanate (CH3SCN, neutral) and ammonium thiocyanate (NH4SCN, anionic), which selectively localize in specific nano-domains. 2D NMR provided insights into solvent structure and probe location, while 2D IR captured solvation dynamics. Our results show that these small probes do not alter the solvent structure, regardless of charge. However, solvation dynamics depend on long-range electrostatic ordering in the DES and the local shielding effects of the nano-domain where the probe resides. MD simulations complement experimental findings, providing a molecular-level understanding of solvation in DESs.

Rapid biosynthesis of N-doped TiO2 nanoparticles using plant extract of Tamarix sp.: Its antimicrobial, anti-oxidant activity and dielectric properties - Naqvi, Syed Mohd Adnan; Islam,Sk Najrul; Raza, Azam; Kshirsagar, Deepa; Chavan, Padmaja; Chankeshwara, Vishakha; Firdousi, Shakeel Ahmad; Ahmad , Absar (Next Materials, 2025)
<span style="box-sizing: border-box; margin: 0px; padding: 0px; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;">Green synthesis is a technique for the fabrication of <a class="topic-link" href="https://www.sciencedirect.com/topics/chemical-engineering/nanoparticle" style="box-sizing: border-box; margin: 0px; padding: 0px; background-color: rgba(0, 0, 0, 0); word-break: break-word; text-decoration-thickness: 1px; text-decoration-color: rgb(31, 31, 31); color: rgb(31, 31, 31); text-underline-offset: 1px;">nanoparticles (NPs) that is easy, eco-friendly, and emergent. It is currently garnering the attention of the scientific community worldwide since it is non-toxic, inexpensive, and reliable, and it takes place under ambient conditions. This research aimed to synthesize green N-doped <a class="topic-link" href="https://www.sciencedirect.com/topics/pharmacology-toxicology-and-pharmaceutical-science/titanium-dioxide-nanoparticle" style="box-sizing: border-box; margin: 0px; padding: 0px; background-color: rgba(0, 0, 0, 0); word-break: break-word; text-decoration-thickness: 1px; text-decoration-color: rgb(31, 31, 31); color: rgb(31, 31, 31); text-underline-offset: 1px;">titanium dioxide nanoparticles (N-TiO<span style="box-sizing: border-box; margin: 0px; padding: 0px; line-height: 0; position: relative; vertical-align: baseline; bottom: -0.25em; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif;">2<span style="box-sizing: border-box; margin: 0px; padding: 0px; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;">) and analyze their antimicrobial, anti-oxidant activity, and <a class="topic-link" href="https://www.sciencedirect.com/topics/materials-science/dielectric-property" style="box-sizing: border-box; margin: 0px; padding: 0px; background-color: rgba(0, 0, 0, 0); word-break: break-word; text-decoration-thickness: 1px; text-decoration-color: rgb(31, 31, 31); color: rgb(31, 31, 31); text-underline-offset: 1px;">dielectric properties. A leaf extract of <span style="box-sizing: border-box; margin: 0px; padding: 0px; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;"><a class="topic-link" href="https://www.sciencedirect.com/topics/agricultural-and-biological-sciences/tamarix" style="box-sizing: border-box; margin: 0px; padding: 0px; background-color: rgba(0, 0, 0, 0); word-break: break-word; text-decoration-thickness: 1px; text-decoration-color: rgb(31, 31, 31); color: rgb(31, 31, 31); text-underline-offset: 1px;" title="Learn more about Tamarix from ScienceDirect's AI-generated Topic Pages">Tamarix<span style="box-sizing: border-box; margin: 0px; padding: 0px; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;"> sp. was used in a single step at <a class="topic-link" href="https://www.sciencedirect.com/topics/chemistry/ambient-reaction-temperature" style="box-sizing: border-box; margin: 0px; padding: 0px; background-color: rgba(0, 0, 0, 0); word-break: break-word; text-decoration-thickness: 1px; text-decoration-color: rgb(31, 31, 31); color: rgb(31, 31, 31); text-underline-offset: 1px;">room temperature to fabricate N-TiO<span style="box-sizing: border-box; margin: 0px; padding: 0px; line-height: 0; position: relative; vertical-align: baseline; bottom: -0.25em; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif;">2<span style="box-sizing: border-box; margin: 0px; padding: 0px; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;"> <a class="topic-link" href="https://www.sciencedirect.com/topics/materials-science/nanoparticle" style="box-sizing: border-box; margin: 0px; padding: 0px; background-color: rgba(0, 0, 0, 0); word-break: break-word; text-decoration-thickness: 1px; text-decoration-color: rgb(31, 31, 31); color: rgb(31, 31, 31); text-underline-offset: 1px;">nanoparticles with an average particle size of 26.5 nm. They were subsequently characterized by certain methods like Ultra Violet-Visible spectroscopy, <a class="topic-link" href="https://www.sciencedirect.com/topics/pharmacology-toxicology-and-pharmaceutical-science/transmission-electron-microscopy" style="box-sizing: border-box; margin: 0px; padding: 0px; background-color: rgba(0, 0, 0, 0); word-break: break-word; text-decoration-thickness: 1px; text-decoration-color: rgb(31, 31, 31); color: rgb(31, 31, 31); text-underline-offset: 1px;">Transmission Electron Microscopy, <a class="topic-link" href="https://www.sciencedirect.com/topics/chemistry/field-emission-scanning-electron-microscopy" style="box-sizing: border-box; margin: 0px; padding: 0px; background-color: rgba(0, 0, 0, 0); word-break: break-word; text-decoration-thickness: 1px; text-decoration-color: rgb(31, 31, 31); color: rgb(31, 31, 31); text-underline-offset: 1px;">Field Emission Scanning Electron Microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, Fourier Transform Infra-Red Spectroscopy, etc. Moreover, the efficiency of the synthesized <a class="topic-link" href="https://www.sciencedirect.com/topics/pharmacology-toxicology-and-pharmaceutical-science/nanoparticle" style="box-sizing: border-box; margin: 0px; padding: 0px; background-color: rgba(0, 0, 0, 0); word-break: break-word; text-decoration-thickness: 1px; text-decoration-color: rgb(31, 31, 31); color: rgb(31, 31, 31); text-underline-offset: 1px;">nanoparticles as antimicrobial agents was investigated against <span style="box-sizing: border-box; margin: 0px; padding: 0px; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;"><a class="topic-link" href="https://www.sciencedirect.com/topics/pharmacology-toxicology-and-pharmaceutical-science/bacillus-subtilis" style="box-sizing: border-box; margin: 0px; padding: 0px; background-color: rgba(0, 0, 0, 0); word-break: break-word; text-decoration-thickness: 1px; text-decoration-color: rgb(31, 31, 31); color: rgb(31, 31, 31); text-underline-offset: 1px;">Bacillus subtilis<span style="color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;">, <em style="box-sizing: border-box; margin: 0px; padding: 0px; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;">Escherichia coli<span style="color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;"> and <span style="box-sizing: border-box; margin: 0px; padding: 0px; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;"><a class="topic-link" href="https://www.sciencedirect.com/topics/agricultural-and-biological-sciences/aspergillus-niger" style="box-sizing: border-box; margin: 0px; padding: 0px; background-color: rgba(0, 0, 0, 0); word-break: break-word; text-decoration-thickness: 1px; text-decoration-color: rgb(31, 31, 31); color: rgb(31, 31, 31); text-underline-offset: 1px;">Aspergillus niger<span style="color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;">. Using 2, 2-diphenyl-1-picrylhydrazyl hydrate (DPPH), the antioxidant activity of synthesized N-TiO<span style="box-sizing: border-box; margin: 0px; padding: 0px; line-height: 0; position: relative; vertical-align: baseline; bottom: -0.25em; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif;">2<span style="box-sizing: border-box; margin: 0px; padding: 0px; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;"> <a class="topic-link" href="https://www.sciencedirect.com/topics/agricultural-and-biological-sciences/nanoparticle" style="box-sizing: border-box; margin: 0px; padding: 0px; background-color: rgba(0, 0, 0, 0); word-break: break-word; text-decoration-thickness: 1px; text-decoration-color: rgb(31, 31, 31); color: rgb(31, 31, 31); text-underline-offset: 1px;">nanoparticles (NPs) was evaluated. UV–visible <a class="topic-link" href="https://www.sciencedirect.com/topics/chemical-engineering/spectrophotometry" style="box-sizing: border-box; margin: 0px; padding: 0px; background-color: rgba(0, 0, 0, 0); word-break: break-word; text-decoration-thickness: 1px; text-decoration-color: rgb(31, 31, 31); color: rgb(31, 31, 31); text-underline-offset: 1px;">spectrophotometry was used to monitor the radical-scavenging activity of N-TiO<span style="box-sizing: border-box; margin: 0px; padding: 0px; line-height: 0; position: relative; vertical-align: baseline; bottom: -0.25em; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif;">2<span style="box-sizing: border-box; margin: 0px; padding: 0px; color: rgb(31, 31, 31); font-family: ElsevierGulliver, Georgia, "Times New Roman", Times, STIXGeneral, "Cambria Math", "Lucida Sans Unicode", "Microsoft Sans Serif", "Segoe UI Symbol", "Arial Unicode MS", serif, sans-serif; font-size: 16px;"> NPs. The <a class="topic-link" href="https://www.sciencedirect.com/topics/chemistry/dielectric-property" style="box-sizing: border-box; margin: 0px; padding: 0px; background-color: rgba(0, 0, 0, 0); word-break: break-word; text-decoration-thickness: 1px; text-decoration-color: rgb(31, 31, 31); color: rgb(31, 31, 31); text-underline-offset: 1px;">dielectric properties were examined with the help of impedence analyzer and we observed high <a class="topic-link" href="https://www.sciencedirect.com/topics/chemistry/dielectric-constant" style="box-sizing: border-box; margin: 0px; padding: 0px; background-color: rgba(0, 0, 0, 0); word-break: break-word; text-decoration-thickness: 1px; text-decoration-color: rgb(31, 31, 31); color: rgb(31, 31, 31); text-underline-offset: 1px;">dielectric constant and very low tangent loss.

Rational design of hydrophobic Cu/CuO electrodes for electrochemical oxygenation of tetralin: a strategic approach - Cherukuthota, Sri Vidya; Mathew, Elizabeth; Verma, Tushar Singh; Joshi, Krati; Selvaraj, Kaliaperumal (ChemSusChem, 2025)
Electro-organic synthesis presents a sustainable and practical alternative to traditional organic synthesis methods, which typically utilize harsh reagents and require energy-intensive conditions. Nevertheless, the challenge of achieving satisfactory conversion and selectivity rates in electrocatalytic oxidation using a non-platinum group metal (PGM) catalyst pair still needs to be addressed. This study demonstrates the application of a non-PGM-based catalyst pair for the electrocatalytic oxidation of tetralin to 1-tetralone, a highly demanded raw material in the pharma industry. Copper electrodeposited on teflonated carbon paper combined with copper foam as the electrocatalyst pair has demonstrated impressive conversion and selectivity ratios to electro-synthesize 1-tetralone at room temperature and atmospheric pressure. The optimal choice of a non-PGM catalyst, ideal mass loading, and a unique electrode configuration resulted in an ultimate conversion of about 99% of tetralin and 1-tetralone selectivity -93.7%, yield -92.6%. The reaction pathway associated with the electrochemical phenomena is supported by first principles-based density functional theory calculations and X-ray photoelectron spectroscopy of the electrocatalyst. This process has exceptional performance that can be adapted for a wide range of substrates and is straightforward, ambient, reagent-free, scalable, and therefore beneficial for industrial use. Therefore, initiatives have been taken in this direction.
Keywords: C-H activation; Copper; electrochemical oxidation; non-PGM electrocatalysts; tetralin; Tetralone

Ready access to benzodiazocines from tryptamines: a druggable scaffold toward antiviral agents - Saranya, N. Sathya Sai; Choudhury, Rahul; Routholla, Ganesh; Supekar, Prathmesh R.; R, Nandhakumaar; Martin, Alna Kuriyickal; Muruganandham, Renuga Devi; Kumar, Bokara Kiran; Reddy, D. Srinivasa (ACS Medicinal Chemistry Letters, 2025)
Herein we report the first synthesis of the proposed structure of a benzodiazocine natural product, peganutonin A. Considering the druggable nature of benzodiazocine and its limited exploration in the field of medicinal chemistry, we generalized the approach and created a library of compounds useful for various biological activities. Key steps in present approach include tryptamine cyclization facilitated by tert-butyl hypochlorite and cleavage of the fused indole ring using ozonolysis. Preliminary screening of the synthesized compounds resulted in potent antiviral compounds against the SARS-CoV-2 virus.
Keywords: Benzodiazocine; drug discovery; Indole cleavage; Lipinski's rule of Five; SARS-CoV-2 inhibition; Tryptamine

Recommendations for sample selection, collection and preparation for NMR-based metabolomics studies of blood - Emwas, Abdul-Hamid; Zacharias, Helena U.; Alborghetti, Marcos Rodrigo; Gowda, G. A. Nagana; Raftery, Daniel; Mckay, Ryan T.; Chang, Chung-ke; Saccenti, Edoardo; Gronwald, Wolfram; Schuchardt, Sven; Leiminger, Roland; Merzaban, Jasmeen; et al. (Metabolomics, 2025)
BackgroundMetabolic profiling of blood metabolites, particularly in plasma and serum, is vital for studying human diseases, human conditions, drug interventions and toxicology. The clinical significance of blood arises from its close ties to all human cells and facile accessibility. However, patient-specific variables such as age, sex, diet, lifestyle and health status, along with pre-analytical conditions (sample handling, storage, etc.), can significantly affect metabolomic measurements in whole blood, plasma, or serum studies. These factors, referred to as confounders, must be mitigated to reveal genuine metabolic changes due to illness or intervention onset.Review objectiveThis review aims to aid metabolomics researchers in collecting reliable, standardized datasets for NMR-based blood (whole/serum/plasma) metabolomics. The goal is to reduce the impact of confounding factors and enhance inter-laboratory comparability, enabling more meaningful outcomes in metabolomics studies.Key conceptsThis review outlines the main factors affecting blood metabolite levels and offers practical suggestions for what to measure and expect, how to mitigate confounding factors, how to properly prepare, handle and store blood, plasma and serum biosamples and how to report data in targeted NMR-based metabolomics studies of blood, plasma and serum.
Keywords: Blood; Metabolites; Metabolomics; NMR; Plasma; Serum; Standardization

Renewable and degradable polyoxalates derived from castor oil - Menon, Abhijith Hari; Joseph, Seena; Shaikh, Maulali H.; Chikkali, Samir H. (Macromolecular Chemistry and Physics, 2025)
Renewable feedstocks pave the way to reduce the demand for petroleum-derived chemicals. Castor oil is one such plant-based raw material that can be used to synthesize chemicals and materials with diverse applications. Herein, we report the synthesis of a novel monomer, 18-methoxy-18-oxooctadec-9-en-7-yl methyl oxalate (3), from castor oil-derived ricinoleic acid. The identity of the monomer 3 has been unambiguously ascertained using 1-2D NMR spectroscopic analysis. Monomer 3 was then subjected to condensation polymerization with potentially bio-renewable long-chain aliphatic diols to yield degradable linear polyoxalates having molecular weights in the range of 8000-22,000 g/mol. The polymerization reactions were performed using pTSA and [Sn(Oct)2] as catalysts, and the polymerization conditions were optimized. The structure of the polymer was confirmed by 1-2D NMR spectroscopy, IR spectroscopy, and GPC analysis. The thermal characterizations of the polyoxalates were carried out by DSC and TGA analysis. The polyoxalates were found to degrade in acidic media. These renewable polyoxalates were further reacted with thiols by ``thiol-ene'' click reaction to produce a cross-linked rubbery polymer, which retained degradability.
Keywords: castor oil derivatives; hydrolytic degradations; polyoxalates

Revealing the functional importance of tyrosine and tryptophan of human hemoglobin for development of structural templates representing protein microenvironment - Chakraborty, Madhurima; Sen Banerjee, Nineesha; Ghosh, Deborin; Bhattacharya, Prabuddha; Ganguly, Tapan (Computational and Theoretical Chemistry, 2025)
Microenvironment surrounding Tyrosine (Tyr) / Tryptophan (Trp) and heme appear to characterize the UV-vis absorption spectra of human hemoglobin (HHb). Structural elucidation of HHb using multiple tools, that may contribute to its spectral properties, then indicate greater structural stability of subunit A and the significance of its heme, Tyr42 and Trp14. Mutagenesis of Tyr42 and Trp14 of subunit A to Glycine (Gly) further validate their contribution in determining the structural stability, physicochemical properties, functional properties, and secondary structure of HHb. Accordingly, the use of structural coordinates of Tyr42 and heme as the first cluster and Trp14, Tyr42 and heme as the second cluster to represent the microenvironment of HHb is assessed for the first time. The calculated (DFT) absorption and FTIR properties of both the clusters are in well agreement with experimental absorption and FTIR characteristics of whole HHb suggesting prospective biomedical applications of these clusters.
Keywords: Heme; Human hemoglobin; Nano-peptide cluster; Representative template; Trp14; Tyr42

Rh-Catalyzed Asymmetric Hydroformylation: The Case of Substituted and Heterocyclic Olefins - Tewari, Tanuja; Khopade, Kishor V.; Chikkali, Samir H. (ChemCatChem, 2025)
Asymmetric hydroformylation (AHF) of prochiral alkenes is an efficient way to synthesize optically active aldehydes, which are versatile chiral building blocks for pharmaceuticals, agrochemicals, and other fine chemicals. The purpose of this review is to take stock of developments in the last decade and shed light on the understanding of the field of AHF. So far, most of the literature methods focused on the use of Rh-based catalysts, due to high catalytic activity and excellent chemoselectivity for the aldehydes. Several chiral phosphorus ligands have been successfully developed for Rh-catalyzed AHF reactions. This review examines the role of the substrate/olefins in AHF. Several different types of ``mono-substituted'' terminal olefins (functionalized/nonfunctionalized) with a variety of chiral ligands have been investigated, which show high activity and excellent ee of up to 99%. The AHF of ``di-substituted'' and ``tri-substituted'' olefins is rarely reported. This review summarizes the evolution of chiral ligands for AHF. It discusses the progress made in desymmetrizing hydroformylation. In addition, it highlights important developments in AHF carried out with and without syngas. These advances span a wide variety of alkenes. Additionally, the review offers future approaches in the field of AHF for the synthesis of optically active aldehydes.
Keywords: Asymmetric hydroformylation; Asymmetric transfer hydroformylation; Chiral ligands; Desymmetrizing hydroformylation; Substituted alkenes

Rongalite-promoted self-dimerization of 3-acylidene-2-oxindoles: a diastereoselective route to synthesis of bispirooxindoles - Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Kaulage, Sandeep H.; Kinage, Anil K. (Organic & Biomolecular Chemistry, 2025)
A facile and efficient one-pot rongalite-mediated self-dimerization of 3-acylidene-2-oxindoles has been developed for the diastereoselective synthesis of highly functionalized dispirocyclopentanebisoxindoles. The reaction proceeds via a domino sequence involving intermolecular Michael addition followed by intramolecular aldol cyclization under basic conditions. Rongalite, an inexpensive and readily available reagent (similar to\$0.03 per g), plays a crucial role in promoting the transformation, offering significant advantages such as operational simplicity, step economy, scalability to gram-scale synthesis, and potential for post-functionalization. This methodology provides an efficient route to structurally complex oxindole frameworks with high stereocontrol, demonstrating broad synthetic utility.

Ruthenium-catalyzed deconstruction of polyolefins: a strategy to up-cycle waste polyethylene to value-added alkene - Padhi, Ganeshdev; Khopade, Kishor V.; Moyilla, Nageswararao; Rangappa, Raghavendrakumar; Chikkali, Samir H.; Barsu, Nagaraju (Angewandte Chemie-International Edition, 2025)
Synthesis of value-added products from post-consumer waste polyolefins is fascinating as well as challenging. Here we report ruthenium-catalyzed up-cycling of the polyethylene to long-chain alkene derivatives. The developed methodology mainly involves two steps i.e., dehydrogenation of polyethylene through hydrogen atom transfer and its metathesis using the HG-II catalyst. The dehydrogenation of polyethylene using ruthenium catalysis derived up to 3.38 %, of double bonds; with 90 % of the recovered polyolefin material. The obtained unsaturated polyethylene was subjected to cross-metathesis with ethylene using HG-II catalytic system. This resulted in the synthesis of predominantly dodecene (C12) derivatives, with 58 % selectivity, along with other derivatives of varying chain lengths. The overall reaction produced terminal and internal olefins in the ratio 1:0.8 respectively. The dehydrogenation of polyethylene and its deconstruction was confirmed by NMR spectroscopy, Gel Permeation Chromatography (GPC) and Differential Scanning Calorimetry (DSC). The origin of C12 selectivity has been demonstrated by control experiments. The scope of the methodology was extended to post-consumer waste polyethylene which gave high conversion to value-added dodecene derivatives as a major product.
Keywords: Deconstruction; Homogeneous catalysis; ruthenium; Upcycling; Waste plastic

Self-supported super-hydrophilic interconnected nanospikes and particles of MoS2-Ni3S2/NF with optimum d-band center for anion exchange membrane water electrolyzer - Kumar, Yogesh; Barik, Sidharth; Samudre, Nikhil S.; Kharabe, Geeta Pandurang; Chauhan, Inderjeet; Manna, Narugopal; Bhat, Suresh; Kurungot, Sreekumar (Advanced Sustainable Systems, 2025)
There is an imperative need for highly efficient electrocatalysts for cost-effective hydrogen production. Herein, a self-supported, hybrid composite as a bifunctional electrocatalyst is introduced. This is achieved by in situ growth of MoS2-Ni3S2 on nickel foam (NF), designated as MoS2-Ni3S2/NF, synthesized by a facile one-step hydrothermal synthesis method. MoS2-Ni3S2/NF exhibits low overpotentials of only 187 and 146 mV for OER and HER, respectively, to achieve a current density of 10 mA cm-2 in 1 M KOH. The practical application of the designed bifunctional electrocatalyst is verified by constructing the MoS2-Ni3S2/NF || MoS2-Ni3S2/NF symmetrical membrane electrode assembly (MEA) of 4 cm2 working area for the anion exchange membrane water electrolyzer. The system shows continuous electrolysis for the monitored 48 h duration. For OER, an optimum d-band center of -1.66 eV for the heterostructure is calculated from the Density Functional Theory (DFT) studies. The factors like the unique structure of the electrocatalyst, enhanced hydrophilicity, improved electrochemically accessible number of sites (ECASs), and optimum d-band center, are expected to be the primary contributors to the system's improved performance. Thus, the present finding unveils a straightforward synthesis approach for creating a stable electrocatalyst for advancing commercial water electrolysis in the realm of renewable electrochemical energy conversion.
Keywords: AEM; d-band center; electrolyzer; HER; OER

Sequential nitro-michael addition and reductive cyclization cascade reaction for diastereoselective synthesis of multifunctionalized 3,3′-pyrrolidinyl-spirooxindoles - Nichinde, Chandrakant B.; Bhati, Meema; Girase, Amardipsing S.; Patil, Baliram R.; Chaudhari, Suryakant S.; Gamidi, Rama Krishna; Joshi, Kavita; Kinage, Anil K. (European Journal of Organic Chemistry, 2025)
In this investigation, we elucidated, one-pot two stage efficient synthesis of multifuctionalized spiro[oxindole -3,3 `-pyrrolidine]. The methodology proceeds via organocatalyzed nitro-Michael addition reaction between indolylidenecyanoesters and nitroalkanes to formed nitro-Michael adduct which transformed into multifunctionalized 3,3 `-pyrrolidinyl-spirooxindoles by metal catalyzed reductive cyclization cascade. DFT investigations were conducted to elucidate the mechanism underlying the preferential reduction of the nitro group, with subsequent attack on the nitrile and ester groups remain inert throughout the reaction process. The approach is operationally simple, easily scalable, exhibits compatibility with readily accessible starting material and catalysts, thereby emphasizing cost-effectiveness.
Keywords: 3 `-pyrrolidinyl spirooxindoles; DFT study for regioselective cyclization; Diastereoselective 3; organocatalysis; Pd/C catalysed partial reductive spirocyclization

Steric hindrance modulated efficient thermally activated delayed fluorescence with non-linear optical, ferroelectric and piezoelectric properties - Dutta, Madhusudan; Chatterjee, Abhijit; Deka, Nilotpal; Tanwar, Riteeka; Mishra, Vishnu; Saha, Arindam; Mandal, Pankaj; Boomishankar, Ramamoorthy; Hazra, Partha (Chemical Science, 2025)
Multi-carbazole-based benzonitrile systems are efficient thermally activated delayed fluorescence (TADF) materials for organic light-emitting diodes (OLEDs). However, they suffer from low PLQY due to the large dihedral angle arising from steric crowding. Addressing this challenge, we demonstrate a potent strategy to engineer steric crowding in this work. To achieve our goal, we have designed three luminogens, namely, CzPHCN, tCzPHCN and Cz2CzPHCN based on phenanthrene-9,10-dicarbonitrile (PHCN), as an acceptor core to minimize the steric hindrance between the donor groups. Among the three luminogens, tCzPHCN exhibits a maximum PLQY of 86% and the highest RISC rate of 3.5 x 105 s-1, the underlying cause being the least dihedral angle of 45.72 degrees and suppressed intermolecular interaction due to the presence of the bulky tert-butyl group. Interestingly, our QM/MM calculations and experimental evidence suggest that the RISC process of both CzPHCN and tCzPHCN takes place via a hot exciton channel. Unlocking a new realm of applications, the unique non-centrosymmetric space group (Cmc21) of CzPHCN offers excellent SHG with a chi(2) value of 0.21 pm V-1 at 1320 nm. In addition to this, the molecule depicts good ferroelectric (PS = 0.32 mu C cm-2), piezoelectric energy harvesting (VOC = 2.8 V) and two-photon absorption properties.

Supercooled liquid phases of luminescent zero dimensional metal halide hybrids - Kumar Das, Deep; Marayathungal, Jumana Hasin; Palakkolil, Athira; Sarma, Dhritismita; Khan, Akram Aadil; Kumar, M. Praveen; Kudlu, Ashwath; Choudhary, Mahendra; Hathwar, Venkatesha R.; Pujala, Ravi Kumar; Mahata, Arup; Kundu, Janardan (Journal of Physical Chemistry Letters, 2025)
Chemical design of metal halide hybrids (MHHs) with suppressed melting point (T-m) allows access to glassy phases from their liquid-melts. Thermal phase change (crystal-melt-glass) properties of glassy MHHs (with glass transition temperature T-g > room temperature) have been exploited for device applications. However, room temperature stable supercooled liquid (SCL) MHHs (with T-g < room temperature), originating from glass-SCL phase change, remain inaccessible. Here, a molecular design strategy is reported to access ambient stable, melt-processable, SCL multimetallic bromide hybrids (Mn2+,Cd2+; Mn2+,Zn2+; Benzyltributylammonium) with low T-g (15-16 degrees C), low T-m (90-100 degrees C), green luminescence, and high optical transparency. Structural, optical, thermal, and computational analyses highlight chemical design principles and support dopant (Mn2+) based luminescence. Rheological measurements confirm the SCL phase that shows thermal hysteresis and estimate relaxation time scales. This work provides a new material platform showcasing enhanced melt-processability for fabrication of moldable devices, unravelling chemical makeup-property correlation and expanding the material phase types of MHHs.

Synthesis and evaluation of novel aza-aromatics as dual 5-HT2A and 5-HT2C receptor agonists - Adhikari, Amit Singh; Yadav, Annu; Pandit, Soumen; Kumar, Suresh; Pandey, Vinay Kumar; Maurya, Arvind Kumar; Umrao, Deepmala; Chand, Diwan; Maity, Debalina; Gayen, Jiaur R.; Srivastava, Kinshuk Raj; Yadav, Prem N.; et al. (ACS Medicinal Chemistry Letters, 2025)
The 5-HT2A and 5-HT2C receptors are key therapeutic targets for CNS disorders. We investigated whether a nonhallucinogenic dual 5-HT2A/5-HT2C agonist could offer novel treatment potential. Large screening of in-house structurally diverse compounds revealed centhaquin, an FDA-approved hypovolemic shock drug, as a selective 5-HT2C agonist (EC50: 35 nM). We then synthesized 22 aza-aryl analogs with modified piperazine groups, and identified two dual agonists, 3ci and 3dh (EC50 < 1 mu M), with no 5-HT2B activity up to 10 mu M. Molecular docking highlighted critical interactions with Ser159 (5-HT2A) and Ser138 (5-HT2C) on the upper side of the orthosteric binding pocket. Pharmacokinetic studies in mice demonstrated that 3ci was rapidly absorbed in the plasma and brain (T-max = 0.08 h; C-max = 936.4 ng/mL plasma, 2446.8 ng/g brain). Both compounds (3ci and 3dh, 20 mg/kg, i.p.) triggered a head-twitch response but were less potent than the hallucinogenic control 2,5-dimethoxy-4-iodoamphetamine, suggesting a reduced hallucinogenic liability. These results highlight 3ci as a promising lead for developing 5-HT2A/2C dual agonists to treat CNS disorders.
Keywords: 5-HT2A; 5-HT2C; Centhaquin; GPCR; Head Twitch Response; Serotonin Receptor

Synthesis framework for designing PtPdCoNiMn high-entropy alloy: a stable electrocatalyst for enhanced alkaline hydrogen evolution reaction - Chandran, M. Athira; Sahoo, Sudeshna; Singh, Ashutosh K.; Prasad, Bhagavatula L. V. (Small, 2025)
High entropy alloys (HEAs) are an emerging class of advanced materials characterized by their multifunctionality and potential to replace commercial catalysts in electrocatalytic water splitting. The synergy among the various alloyed elements in HEAs makes them particularly promising for applications in electrocatalysis. However, preparation of HEA via bottom-up approaches by avoiding the formation of mono, di, and tri metallic alloys in the nanoscale is challenging. This aspect is addressed, in this study by exploring the logical selection of solvents, reducing agents, and capping agents, along with their relative fractions, in the solvothermal synthesis of the HEA comprising platinum-palladium-cobalt-nickel-manganese (PtPdCoNiMn). It is established that the reducing capabilities of both the solvent and reducing agent are crucial for the reduction of each metal to form a single-phase HEA. The synthesized HEA (20 wt.%)/functionalized carbon (FC) demonstrates excellent performance as an HER catalyst, exhibiting a low overpotential of 48.7 mV at -10 mA cm-2 in an alkaline electrolyte. This performance is characterized by high reaction kinetics and stability at elevated current densities. Furthermore, the catalyst shows impressive performance in both simulated and actual seawater. This development reduces the reliance on platinum while enhancing the long-term durability and catalytic efficiency of the electrocatalyst.
Keywords: electrocatalysts; HER; high entropy alloys; solvothermal synthesis

Synthesis of Pd-integrated carbon Dot@TiO2 thin film for photocatalytic glycerol reforming reaction for producing hydrogen - Abraham, Athira; Salgaonkar, Kranti N.; Nivedhitha, Thazhath R.; Ekal, Vishal Ashok; Kondhekar, Deepali; Chakraborty, Shubhankar; Gopinath, Chinnakonda S.; Saha, Avishek (Chemistry-an Asian Journal, 2025)
A series of thin-film photocatalysts comprising TiO2 modified with carbon dots (CDs) dispersed either with palladium (Pd-CD/TiO2) or nickel (Ni-CD/TiO2) were synthesized via solid-state and wet-impregnation methods. Morphological characterization (HR-TEM, SEM-EDS) confirmed the anatase phase of TiO2 and the atomic dispersion of metal-integrated CDs on its surface. UV-vis DRS and XPS analyses revealed a marginal red shift in band-gap and the presence of sp2-hybridized graphitic carbon, and metal-carbon interactions, indicating enhanced light absorption and charge separation through Schottky junctions. Under direct sunlight illumination, Pd-CD/TiO2 thin film exhibited superior hydrogen yield (1167 mu mol g-1 h-1) and maintained stability over 25 h, outperforming Ni-CD/TiO2 (494 mu mol g-1 h-1) and bare TiO2 (166 mu mol g-1 h-1) photocatalyst thin films. Concurrent glycerol oxidation at neutral pH (pH similar to 7) yields glycolaldehyde (41% selectivity), formic acid, and dihydroxyacetone as value-added products. Enhanced photocurrent density and lower impedance of Pd-CD/TiO2 corroborate improved charge carrier separation and dynamics. The results demonstrate that Pd-CD synergistically improves the photocatalytic performance of the Pd-CD/TiO2 for sustainable hydrogen generation and selective biomass valorization.
Keywords: Glycerol oxidation; Graphitic carbon dots; hydrogen production; Photocatalysis; titania

Tailoring of rheological properties through hydrophobic interactions in silica-based liquid crystal gels - Sumana, S.; Chakrabortty, Pratyasha; Karumuthil, Subash Cherumannil; Prasad, S. Krishna; Prasad, Bhagavatula L. V. (ChemPhysChem, 2025)
Modification of the intrinsic hydrophilic character of the pristine silica nanoparticles (SiNP) decorated with silanol moieties into a hydrophobic state has been of substantial interest, owing to the amenability to gelation of desirable liquids. Many reports exist on composites of SiNP with liquid crystals (LCs), an epitome of anisotropic soft matter. The fumed SiNP, unlike its precipitated counterpart, has been the preferred variety. A family of colloidal gel systems is reported, consisting of precipitated SiNP in a nematic LC, formed by substituting some native silanols with methyl, butyl, or dodecane chains. Detailed steady state and oscillatory rheological measurements are performed, along with analyses using the soft glass and other viscoelastic models. The study demonstrates that the sophisticated modified fractional models, Kelvin-Voight and Maxwell, proposed for generalized viscoelastic behavior of soft materials, are quite successful in describing these nematic gels as well. The observed nontrivial relationship between the ligand length and the strength of the gel network is elucidated on the basis of a judicious combination of the van der Waals, hydrogen bonding, and hydrophobic interactions, leading to a detailed understanding of the viscoelastic behavior of the composites and the influence of SiNP surface chemistry.
Keywords: fractional viscoelastic models; Hydrophobic; nematic; rheological studies; silica nanoparticles

Thermal properties of polyethylene-grafted sheetlike silsesquioxanes - Sharma, Vivek; Paulbudhe, Uday; Gupta, Poonam; Zalte, Akshat Shirish; Chikkali, Samir H.; Kumaraswamy, Guruswamy (ACS Applied Polymer Materials, 2025)
Polyethylene-grafted layered silsesquioxanes, termed polyethylene-clays (PEC), are nanocomposites comprising polyethylene chains tethered to inorganic sheets with a phyllosilicate-like structure. Here, we report that these nanocomposites show two-stage crystallization on cooling, qualitatively different from previous reports on polyethylene nanocomposites. We employ differential scanning calorimetry (DSC) and small-angle X-ray scattering (SAXS) to study the melting and crystallization of PEC. End tethering of the polyethylene chains to a nanosheet strongly influences the manner in which PEC crystallizes from the melt on cooling. PEC exhibits two-step crystallization, characterized by a sharp high-temperature exotherm, followed by a broader exotherm at lower temperatures, in contrast to a single sharp exotherm for neat polyethylene. SAXS indicates that lamellar stacks form at high temperatures and that the low-temperature exotherm corresponds to the formation of additional lamellae and their insertion within these stacks. PEC exhibits lower peak melting temperature, lower crystallinity, and a wider melting range relative to polyethylene. We show that the progress of crystallization of PEC is determined by its ultraslow relaxation dynamics. In contrast, PEC in xylene solution exhibits a significantly shorter relaxation time than the melt PEC. Such systems exhibited a single exotherm on cooling and SAXS structure factor peaks with peak positions in a ratio of 1:2. We hypothesize that the high melt viscosity inhibits the crystallization-induced decrease in the specific volume of PEC, resulting in tensile internal stresses that determine the observed thermal behavior.
Keywords: clay; Crystallization; Nanocomposite; Polyethylene; silsesquioxane

Total biocatalytic synthesis of capsaicinoids using ferulic acid: a versatile two-step strategy for natural product diversification - Khobragade, Taresh P.; Giri, Pritam; Patil, Mahesh D.; Joo, Sangwoo; Cho, Sunga; Kim, Yechan; Ghosh, Rohan; Jeong, Sanghun; Maeng, Minyeong; Song, Min-Ho; Park, Jeong-Min; Lee, Eun Ho; et al. (Angewandte Chemie-International Edition, 2025)
The wide-ranging application of capsaicinoids, the active compounds in chili peppers, has driven increasing interest in the development of sustainable production strategies. However, capsaicinoid synthesis remains a challenge. The objective of this pioneering study is to report the total biocatalytic synthesis of structurally diverse capsaicinoids from bio-based ferulic acids. An X-ray crystallographic study elucidated the structural basis for the exceptional potential of a novel transaminase from Phaeobacter porticola (PPTA) to transform the highest ever reported concentration of vanillin (100-200 mM) to vanillylamine, with >99% conversion and modest conversion ranging from 48% to 79% for 300 to 500 mM substrate. Using PPTA in tandem with phenolic acid decarboxylase (PAD) and aromatic dioxygenase (ADO) further enabled the direct synthesis of vanillylamine from ferulic acid with >99% conversion. Furthermore, the integration of a multi-enzymatic cascade with carboxylic acid reductases (CARs) successfully synthesized structurally diverse capsaicinoids via amide bond formation between vanillylamine and free fatty acids, with excellent conversions ranging from 72% to >88%. A 50-mM enzymatic reaction afforded 95% and 80% conversion of vanillylamine and capsaicin, respectively.
Keywords: Capsaicinoids; Carboxylic acid reductase; Transaminase; Vanillylamine

Understanding the antimicrobial and antioxidant potential of bioinspired platinum nanoparticles synthesized using ocimum tenuiflorum - Varma, Sanjana; Bamb, Aagam Lalit; Tambe, Sayali A.; Burade, Dimpal K.; Jagdale, Swati; Pande, Bharat; Vamkudoth, Koteswara Rao; Chaudhari, Bhushan P. (BioNanoScience, 2025)
The emergence of infectious diseases has highlighted the need for novel and effective antimicrobial agents. Platinum nanoparticles (PtNPs) could act as a potent antimicrobial agent due to their unique physicochemical properties. However, the chemical or physical synthesis methods of PtNPs have drawbacks, like irregular shape and use of toxic chemicals. These drawbacks can be effectively overcome by using the biological method synthesis. Thus, this study presents the green synthesis of platinum nanoparticles (PtNPs) using Ocimum tenuiflorum leaf extract as a bio-reductant. The study also comprehensively encompasses the role of multiple process parameters for the green synthesis of PtNPs. The high-resolution transmission electron microscopy (HR-TEM) revealed spherical PtNPs with an average size of 2.36 ± 0.5 nm that exhibits excellent stability (zeta potential, −45.67 ± 2.57 mV). Phytochemical analysis of aqueous O. tenuiflorum leaf extract was performed to assess the bioactive compounds like saponins, phenols, and tannins, reducing sugars and flavonoids. The PtNPs demonstrated significant antioxidant activity of 86.9 ± 0.12% at 10 µg/mL. Further, the biosynthesized PtNPs showed efficient antimicrobial activity with a minimum inhibitory concentration (MIC) of 6.25 µg/mL against Escherichia coli and 1.5 µg/mL against Staphylococcus aureus. These findings highlight the therapeutic potential of eco-friendly PtNPs for pharmaceutical and biotechnological applications.

Underutilization of India’s trained science and technology workforce: Impact on gender disparity - Jugran, Arun K.; Sardana, Neha; Fatima, N. Nishad; Maheshwary, Sugandha; Sengupta, Durba; Chakravorty, Nishant (Proceedings of the Indian National Science Academy, 2025)
The growing STEM workforce of India faces remarkable underutilization, mostly among women and early-career researchers. A survey was conducted among 106 research professionals showed that 46% of the respondents experienced career breaks while only 20–22% perceived sufficient employment opportunities across educational levels. Gender disparity has become a remarkable, associated factor, influenced by and perpetuating the underutilization of the workforce, shaped by career interruptions associated to marriage, childbirth, and societal norms, which disproportionately affect 65% of women respondents. While over 50% respondents showed their interest in developing entrepreneurship, awareness of government schemes such as Startup India and Skill India remains inadequate. The findings from the study supports the short-term actions like childcare support and flexible re-entry policies, medium-term incorporation of entrepreneurship programs with scientific careers, and long-term development of R&D through increased investment and mentorship programs. Addressing systemic and gender-based obstacles is vital for optimizing scientific workforce and promoting development driven by innovation in India. Additionally, the promotion of scientific entrepreneurship and start-up schemes is essential for boosting research sector growth. Addressing the systemic barriers and supporting gender equity in science and academia can help India fully leverage its qualified STEM talent.

Vat-based 3D-bioprinted scaffolds from photocurable bacterial levan for osteogenesis and immunomodulation - Waidi, Yusuf Olatunji; Wagh, Vasudev S.; Mishra, Shivangi; Jhunjhunwala, Siddharth; Dastager, Syed G.; Chatterjee, Kaushik (Biomacromolecules, 2025)
Emerging techniques of additive manufacturing, such as vat-based three-dimensional (3D) bioprinting, offer novel routes to prepare personalized scaffolds of complex geometries. However, there is a need to develop bioinks suitable for clinical translation. This study explored the potential of bacterial-sourced methacrylate levan (LeMA) as a bioink for the digital light processing (DLP) 3D bioprinting of bone tissue scaffolds. LeMA was successfully synthesized, characterized, and used to fabricate 3D-bioprinted scaffolds with excellent printability and physicochemical properties. In vitro studies demonstrated superior cytocompatibility of 15% w/v LeMA gels compared to 20% gels. 15% LeMA gels supported osteogenic differentiation , as evidenced by alkaline phosphatase activity and mineral deposition by MC3T3 pre-osteoblasts. Importantly, the LeMA hydrogels positively modulated the macrophage phenotype, promoting the expression of the anti-inflammatory marker CD206. These findings suggest that 3D-printed LeMA scaffolds can create a favorable microenvironment for bone regeneration, highlighting their potential for tissue repair and regeneration applications.

Waste polyethylene to long-chain unsaturated esters and alcohols via alkene cross-metathesis - Khopade, K. V.; Bodkhe, D. V.; Chikkali, S. H. (Journal of Macromolecular Science Part A-Pure and Applied Chemistry, 2025)
The conversion of waste polyethylene into valuable long-chain functional molecules offers a contemporary solution to the global plastic waste challenge. This study presents a two-step catalytic approach, comprising of polyethylene (PE) dehydrogenation followed by cross-metathesis with renewable resource-derived functional olefins, catalyzed by the Grubbs-II catalyst (G-II). A dehydrogenated polyethylene (DHP) was subjected to a tandem catalytic cross-alkene metathesis with functional olefins under mild conditions to achieve approximately 36% conversion of DHP into valuable long-chain building blocks with controlled product distribution. Comprehensive characterization of intermediates and products was performed using NMR, GC, GC-MS, GPC, and DSC. In the alkene cross-metathesis with methyl-10-undecenoate, the product distribution consisted of 23% lower alkenes (C8-C14), 40% unsaturated long-chain mono-esters (C12-C18), and 37% unsaturated di-esters. In the case of 10-undecen-1-ol, the distribution included 20% lower alkenes (C8-C11), 32% unsaturated long-chain (C12-C18) mono-alcohols, and 48% unsaturated di-alcohols. This strategy opens up new opportunities for converting waste polyethylene into high-value chemical intermediates, enabling resource recovery and delivering environmental benefits.
Keywords: depolymerization; functional olefins; Metathesis; Recycling; Value-added products

X-ray fluorescence-based spray-on ``elemental barcodes'' - Pansare, Amol V.; Terrasi, Giovanni P.; Pansare, Shubham V.; Khairkar, Shyam; Shedge, Amol A.; Zote, Santosh W.; Chhatre, Shraddha; Barbezat, Michael; Patil, Vishwanath R.; Nagarkar, Amit A. (Advanced Materials Technologies, 2025)
A novel spray-on elemental barcode technology is reported for the secure, permanent, and tamper-proof identification of polymeric and fiber-reinforced composite materials. This system utilizes the in situ reduction of metal salts to nanoparticles embedded within a polymer matrix, creating a unique barcode that is detectable through X-ray fluorescence (XRF). The barcode's composition is based on the metallic nanoparticle mixture and offers a semi-quantitative, non-destructive, and thermally stable method for material authentication. The process is straightforward, involving the manual application of metal salt solutions followed by mild heating, ensuring no significant alteration to the material's properties. The barcodes can be read through protective coatings or paints and are robust even under extreme conditions, such as high temperatures. This low-cost method does not introduce additional manufacturing steps and demonstrates significant potential for anti-counterfeiting and lifecycle tracking in various industries. Moreover, with an information density of up to 12 bits mm-1, this elemental barcode significantly surpasses the data storage capabilities of traditional optical barcodes. This approach holds promise for broad substrate applicability and can be expanded to other metals and reduction protocols, making it versatile for diverse material applications.
Keywords: authentication; barcoding; embedded nanoparticles; epoxy thermosets; fiber-reinforced composite; in situ reduction

2,6-Dioxabicyclo[3.3.1]nonan-3-ones: from natural product treasure troves to synthetic triumphs - Choudhury, Utkal Mani; Das, Pragna Pratic; Mohapatra, Debendra Kumar (RSC Advances, 2026)
2,6-Dioxabicyclo[3.3.1]nonan-3-ones represent a structurally captivating and biologically potent class of natural products. This review comprehensively chronicles the discovery, isolation, and synthetic evolution of 2,6-disubstituted THP containing diverse bridged bicyclic lactone derivatives. Spanning over three decades of research, we present a chronological survey of naturally occurring THP-fused lactones highlighting their origins, structural diversity, and the synthetic ingenuity employed to construct these challenging frameworks. Emphasis is placed on oxa-Michael addition, tandem isomerization followed by C-O and C-C bond forming reaction, Prins reactions, and ring-closing metathesis each offering unique strategic advantages. Particular attention is paid to the stereochemical complexity and regioselectivity challenges inherent in assembling the densely functionalized polyol systems of these compounds. The purpose of this review is to offer a comprehensive introduction for those new to the field, while also spotlighting the latest exciting advancements in the field.

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

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

Direct synthesis of phosphine-phosphite ligand and its implication in asymmetric hydrogenation of functionalized olefins - Chandanshive, Amol C.; Khopade, Kishor V.; Chikkali, Samir H. (Chemistryselect, 2026)
Phosphine-phosphite (P-OP) ligands constitute a privileged class of chiral ligands in asymmetric catalysis owing to their modular structures and tunable steric and electronic properties. Herein, we report a direct, one-pot, synthesis of a new flexible P-OP ligand (L) derived from BINOL-PCl and its in situ complexation with rhodium (Rh) for catalytic evaluation. The resulting Rh/L system efficiently hydrogenates a diverse library of 19 functionalized olefins under mild conditions, delivering moderate to excellent enantioselectivities, with ee values reaching up to 99%. Several of the hydrogenated products correspond to valuable chiral building blocks relevant to pharmaceutical synthesis, underscoring the practical utility of flexible P-OP ligand architectures in asymmetric hydrogenation.
Keywords: asymmetric hydrogenation; functionalized alkene; ligand design; metal catalyzed; phosphine-phosphite

Field emission performance of 2D Ti2CT x (T x = O2, F2, O-F) MXene: experimental insights and theoretical endorsement - Kakade, Prashant M.; Aher, Rahul; Kachere, Avinash R.; Cho, Jinill; Deore, Amol; Jadkar, Sandesh R.; Chauhan, Inderjeet; Kim, Taesung; Mandlik, Nandkumar T.; Kim, Ji Man; Bulakhe, Ravindra N. (ACS Applied Nano Materials, 2026)
Field emission (FE) is an important electron emission mechanism for vacuum microelectronic devices; however, conventional emitters often exhibit high turn-on fields, limited emission stability, and degradation during prolonged operation. Two-dimensional MXenes have recently emerged as promising FE materials due to their remarkable electrical conductivity, comparatively low work function, and tunnelable surface terminations. Nevertheless, most studies have focused on Ti3C2T x MXene, while other compositions such as Ti2CT x remain largely unexplored, particularly regarding the influence of surface terminal groups on their electronic and emission properties. Herein, Ti2CT x (T x = -F2, -O2, -OF) MXene was synthesized via selective chemical etching of the Ti2AlC MAX phase and investigated for its FE characteristics. The material exhibits a polycrystalline hexagonal layered structure with a high specific surface area of 349.02 m2 g-1. Ti2CT x MXene demonstrates excellent FE performance with a low turn-on field of 1.56 V mu m-1 and a threshold field of 2.0 V mu m-1 (at 10 mu A cm-2), along with a stable emission for 4 h. Density functional theory calculations further reveal that surface terminations strongly influence the electronic structure and work function, with the experimental value of 4.66 eV closely matching the -F2 termination. These results highlight Ti2CT x MXene as a promising material for stable and efficient FE applications.
Keywords: 2D Ti2CT x MXene; field emission; TDOS and PDOS; Turn-on voltage; Work function

Green synthesis of PLGA and fabrication of topotecan and thymoquinone dual anticancer drug loaded PLGA nanoparticles: a controlled release study for cancer therapy - Srilatha Cheekuramelli, Naga; Muhammed, Hasin N.; Garnaik, Baijayantimala; Sukumaran Nair, Kiran (Journal of Macromolecular Science Part A-Pure and Applied Chemistry, 2026)
Cancer therapy is often hindered by poor solubility, low bioavailability, drug resistance, and tumor microenvironmental barriers associated with conventional chemotherapeutics. Polymeric nano-drug delivery systems offer a promising strategy to overcome these limitations, particularly for synergistic multi-drug delivery. In this study, a biodegradable and biocompatible PLGA copolymer (70:30, M-w approximate to 14,500) was synthesized by ring-opening polymerization using zinc proline complex as an initiator through a green route. The copolymer's potential for delivering topotecan (TPT), a water-soluble chemotherapeutic, thymoquinone (TQ), a poorly water-soluble chemotherapeutic, and their combination (TPT+TQ) for cancer treatment was investigated. These nanoparticles demonstrateda consistent particle size < 200 nm high encapsulation efficiency along with desirable controlled-release attributes. Moreover, they exhibited specific release characteristics and cytotoxic effects against HeLa cells, achieving an IC50 value of 20.88 M for the combination therapy (TPT+TQ). Additionally, cytocompatibility testing on L929 fibroblasts confirmed over 98% cell viability for blank PLGA nanoparticles. Additionally, confocal imaging studies confirmed efficient cellular uptake and nuclear localization of the nanoparticles. Overall, the PLGA based dual drug loaded nanoparticles presents a promising approach for targeted, synergistic co-delivery, potentially improving efficacy and reducing toxicity in cancer therapy.
Keywords: Biodegradation; dual drug-loading; PLGA copolymer; thymoquinone; Topotecan

Increased cholesterol interactions in the active conformational state of the glucagon-like peptide-1 receptor - Naglekar, Amit; Chattopadhyay, Amitabha; Sengupta, Durba (Biophysical Journal, 2026)
The glucagon-like peptide-1 receptor (GLP-1R) is a class B G-protein-coupled receptor that plays an important role in metabolic regulation and consequently is a target for type 2 diabetes and obesity therapeutics. Although cholesterol has been reported to be implicated in receptor activation, its interactions with the receptor during the activation cycle have not been probed. Using coarse-grained molecular dynamics simulations, we have characterized the cholesterol interactions with GLP-1R in four conformational states: the inactive, partially active, GLP-1-bound active, and exenatide-bound active conformational states. We observed that the cholesterol hotspots vary between the receptor states with an increased enrichment of cholesterol around the receptor in the active conformational states. Importantly, more favorable interaction energetics and increased residence times of cholesterol were identified in the active conformational state of the receptor, although lower in magnitude than previously reported. Notably, subtle differences could be distinguished between the GLP-1-bound and exenatide-bound receptor, underlining the ligand-specific effects. Our findings emphasize the increased selectivity of cholesterol toward the active state of GLP-1R and highlight the role of conformational dynamics in receptor-lipid interplay. Our work helps to understand how cholesterol modulates GLP-1R, with potential effects on its role as a regulator in lipid metabolism, thereby opening avenues to leverage these lipid interactions in targeted drug therapy. SIGNIFICANCE This study provides an understanding of how cholesterol directly influences the function of GLP-1R, a key therapeutic target for metabolic diseases including type 2 diabetes and obesity. Using coarse-grained molecular dynamics simulations, we show that cholesterol binding, favorable interactions, and residence times increase when GLP-1R is in its active states. These interactions vary subtly depending on the activating ligand, highlighting ligand-specific effects. Our findings highlight the critical role of conformational dynamics in receptor-lipid interplay and suggest that understanding these cholesterol-GLP-1R interactions could pave the way for novel strategies in targeted drug therapy for metabolic disorders.

Lanthanide-activated single-phosphor white light emission via Bi3+ → Eu3+ energy transfer in Ca2Ga2GeO7 for next-generation LEDs - Chethana, K. N.; Kanojiya, Nitesh S.; T.Parayil, Reshmi; Sreevalsa, S.; Das, Subrata; Mishra, Manish Kumar; Gupta, Santosh K. (Materials Letters, 2026)
{We report the design and fabrication of Bi3+ and Eu3+ co-doped Ca2Ga2GeO7 (CGGO) phosphors for highperformance warm-white light-emitting diodes (LEDs). The phosphor exhibits efficient Bi3+ -> Eu3+ energy transfer, as evidenced by spectral overlap, enhanced Eu3+ emission, and quenching of Bi3+ emission with increasing Eu3+ content. The emission color shifts from blue to red with increasing Eu3+, achieving near-white emission at 3% Eu3+ (x = 0.33
Keywords: Bi3+/Eu3+ co-doping; Ca2Ga2GeO7 phosphors; Energy Transfer; UV-excited LEDs; White light emission

Mechanistic insights in the role of trehalose transporter in metabolic homeostasis in response to dietary trehalose - Chaudhari, Bhagyashri Y.; Nichit, Vikram J.; Barvkar, Vitthal T.; Joshi, Rakesh S. (G3-Genes Genomes Genetics, 2026)
Trehalose is the major sugar in insect hemolymph and plays a diverse role. Its level is regulated by the dynamics of biosynthesis and distribution by sugar transporters. The metabolic balance between trehalose synthesis and uptake remains poorly understood, despite its critical role in homeostasis. Here, we examined the role of the putative gut-specific sugar transporter, HaST46, in regulating trehalose levels in Helicoverpa armigera, a model Lepidopteran pest. Analysis of publicly available transcriptomics, proteomics data, and qRT-PCR study suggests that HaST46 showed localization in the posterior midgut and its expression alters in response to dietary contents. The liquid chromatography-mass spectrometry (LC-MS) analysis of HaST46 overexpressing Sf9 cells indicated that trehalose transport is preferred over glucose. HaST46 expression was found to be modulated tissue-specific manner in response to dietary trehalose availability. Furthermore, trehalose synthesis genes were found to be downregulated in the case of a 50 mM trehalose diet. This suggests that a potential increase in exogenous trehalose uptake may attenuate its endogenous synthesis. HaST46 overexpression and silencing lead to altered trehalose levels in the insect, while also having impact on trehalose metabolizing enzymes. Overall, our findings reveal the role of gut predominant sugar transporter, HaST46, in metabolic fine-tuning between exogenous trehalose uptake and endogenous synthesis.
Keywords: gut; Helicoverpa armigera; Metabolism; sugar uptake; transporters; trehalose

Mechanistic principles of antimicrobial peptides uncovered by charge density-based machine learning - Malshikare, Hrushikesh; Priyakumar, U. Deva; Chatterjee, Prathit; Sengupta, Durba (Chemical Communications, 2026)
Antimicrobial peptides (AMPs) are emerging as potent alternatives to conventional antibiotics, yet their diverse nature due to divergent mechanisms of action hinders rational design. Here, we present an electrostatics-stratified computational framework that uncovers key physicochemical principles governing AMP activity. Experimentally validated peptides were grouped by average charge per residue (i.e., the charge/length of the peptide) and analyzed through integrated sequence-, structure-, and chemistry-based descriptors. Distinct molecular signatures emerged across electrostatic regimes: low-charge/length peptides rely on amphipathic organization via structural compactness, whereas the intermediate-charge/length peptides exhibit balanced hydrophobicity and electrostatics. The high-charge peptides couple strong cationic attraction with lipophilicity and tryptophan anchoring to mainly disrupt membranes. Interestingly, hydrophobic moment, which is a measure of the amphipathicity, is found to be important in all three classes of AMPs. This study identifies distinguishing features of AMP sub-groups and suggests design guidelines for developing selective and potent next-generation AMPs.

Methoxy substituted furan chalcones: an insight into anti-inflammatory, antioxidant, antidiabetic, antibacterial, and molecular docking studies - Ghorpade, Sujay A.; Kulkarni, Arati S.; Dandge, Padma B.; Chaugule, Hanmant N.; Ingle, Snehal S.; Bavi, Rohit S.; Bhosale, Raghunath B.; Peerzade, Nargisbano A.; Zaki, Magdi E. A.; Masand, Vijay H.; Patil, Nita R.; Jadhav, Shravan Y. (ChemistrySelect, 2026)
A series of methoxy-substituted furan-based chalcones (5a-m) were synthesized, characterized, and evaluated for in vitro anti-inflammatory, antioxidant, antidiabetic, and antibacterial activities. Among the series, compounds 5l, 5j, 5h, 5a, 5g, 5f, 5c, 5k, and 5e showed remarkable anti-inflammatory activity when compared to diclofenac sodium. The compounds 5k, 5e, 5m, 5h, and 5l showed outstanding activity in the DPPH free radical scavenging experiment, along with remarkable ferric ion reducing power activity in comparison to standard ascorbic acid. Compounds 5l, 5m, and 5g demonstrated significant alpha amylase inhibitory activity, comparable to that of the standard drug Acarbose, suggesting their potential as effective antidiabetic agents along with a good antibacterial profile against S. aureus and E. coli. The molecular docking studies revealed that compounds 5f and 5c showed the best docking profiles with BSA, while 5l and 5m demonstrated superior binding characteristics with amylase, highlighting their potential as promising bioactive candidates.
Keywords: Anti-inflammatory; Antibacterial; antidiabetic; Antioxidant; methoxy substituted furan chalcones; Molecular docking

(NHC-olefin)-nickel(0) nanoparticles: an efficient and selective catalyst for hydrogenation reactions at low temperature and pressure - Avello, Marta G.; Singh, Geetika; Truong-Phuoc, Lai; Vidal, Loic; Papaefthimiou, Vasiliki; Chesse, Matthieu; Gruber, Nathalie; Chetcuti, Michael J.; Vanka, Kumar; Ritleng, Vincent; Pham-Huu, Cuong; Michon, Christophe (Journal of Catalysis, 2026)
The reduction of a NHC-cinnamyl nickel(II) organometallic complex through the use of different MeMgBr or MeMgCl reagents led to two types of NHC-olefin-coordinated nickel nanoparticles. Both of these unsupported nickel-NHC based nanomaterials behaved under hydrogen pressure as effective and selective catalysts operating at low temperature (<= 80 degrees C), pressure (<= 20 bar) and loading (<= 6 mol%) for the reductions of broad scopes of alkenes, alkynes, imines and heterocycles, including a challenging tetra-substituted alkene. Among these two nickel-NHC nanocatalysts, the one generated with MeMgCl showed a significant high catalytic activity with high yields and could stand the comparison with Raney nickel and state-of-the-art nickel nanocatalysts. For example, by studying the hydrogenation of 1-phenylcyclohexene in ethanol at 60 degrees C under 10 bar of H2, 3 mol% of this catalyst achieved the reaction within a single hour on a 5 mmol/0.8 g substrate scale with a yield of 96 %, a turnover number (TON) of 32 and a turnover frequency (TOF) of 32. Characterizations confirmed the coordination of the NHC-olefin ligands to the nickel nanoparticles, the reduced state of the nickel and the (poly-) crystallinity of the nanoparticles.
Keywords: alkenes; Alkynes; heterocycles; Hydrogenation; imines; N -heterocyclic carbene ligand; nanocatalysis; Nickel

Noncanonical regulation of the plasma membrane copper transporter CTRL through modulation of membrane mechanical properties - Chatterjee, Subhendu K.; Kar, Sumanta; Nikte, V, Siddhanta; Dash, Tisha; Ghosh, Tanmoy; Paul, Mrittika; Maji, Saptarshi; Sengupta, Durba; Sinha, Bidisha; Gupta, Arnab (Molecular Biology of the Cell, 2026)
We describe a noncanonical, membrane receptor-like regulation of the human copper transporter-1 (CTR1) in response to copper stimuli. CTR1 is the sole high-affinity trimeric plasma-membrane copper-importing channel that self-regulates by undergoing endocytosis to limit copper uptake. We observed that preceding copper-induced endocytosis, CTR1 forms clusters on the plasma membrane, a phenomenon that is typically observed in membrane receptors. We deciphered the mechanism of CTR1 clustering and studied its ramifications on the physical properties of plasma membranes harboring these clusters that could favor endocytosis. Membrane tension and fluctuation are fundamental regulators of pre-and post-endocytic events. Using coarse-grain molecular dynamics (MD)-simulations and coupled interference reflection microscopy-total internal reflection fluorescence microscopy (TIRF) we demonstrated that CTR1 clusters induce positive membrane curvature, an increase in local membrane tension, and a decrease in local membrane fluctuation; alterations that favor the formation of endocytic pits. Clustering is facilitated by copper sequestering methionine-rich extracellular amino-terminus of CTR1. MD-simulations and IRM-TIRF imaging revealed that CTR1 clustering is facilitated by membrane cholesterol, depletion of which delays CTR1 endocytosis. CTR1 clustering promotes clathrin-coated pit formation that engages recruitment of adaptor protein AP-2. To summarize, we report hitherto unknown ``pre-endocytic'' ``receptor-like'' phenomenon of ligand-induced clustering of a metal channel, which in turn regulates self-endocytosis by modulating membrane properties.

Novel routes for bioproduction of delta lactone aroma compounds - Srivastava, Sonali; Chandramouli, Aakash; Gupta, Payal; Manzer, Abdur Rahman; Choudhury, Rahul; Reddy, D. Srinivasa; Yazdani, Syed Shams; Kamat, Siddhesh S.; Mohanty, Debasisa; Nandicoori, Vinay K.; Gokhale, Rajesh S. (Metabolic Engineering, 2026)
Delta lactones are fatty acid-derived aroma compounds that hold tremendous commercial value. As consumer demand for natural flavours continues to rise, the bioproduction of S-lactones, including S-decalactone and S-dodecalactone, is attracting substantial interest. Our study brings forth a novel approach to the bioproduction of S-lactones from glucose, deviating from existing methods that primarily rely on the biotransformation of fatty acids. The high cost of fatty acid raw material constrains the commercial viability of this traditional approach. We engineered surface-lipid producing type I polyketide synthase (PKS) from Mycobacterium smegmatis by incorporating macrolactone thioesterase (TE) domain. Two out of three fusion constructs produced an appropriately engineered PKS-TE fusion protein that facilitated the synthesis of S-lactones. When grown on glucose as the sole carbon source, recombinant E. coli expressing the engineered PKS-TE fusion protein successfully made S-lactones ranging from C8-C18 acyl chains. Our research further highlights the potential of Mycobacterium smegmatis as a cell factory for producing fatty acid-based S-lactones. By genetically designing and engineering Mycobacterium smegmatis to express PKS-TE fusion protein, we achieved bioproduction of various S-lactones. Batch fermentation of the engineered E. coli strain fed with 2 % glucose produced 786 mg/L of S-dodecalactone and 444 mg/L of S-decalactone at 120 h, underscoring the efficacy of our approach. Thus, this study is the first to demonstrate a methodology for redirecting primary metabolic intermediates towards S-lactone biosynthesis in engineered bacteria, enabling the use of inexpensive and renewable feedstocks.
Keywords: Natural flavour; PKS engineering; S-decalactone; S-dodecalactone; S-lactone

P-chiral organophosphorus compounds: synthesis, mechanism, and applications - Chandanshive, Amol C.; Chikkali, Samir H. (Chemistry-an Asian Journal, 2026)
The enantioselective synthesis of P-stereogenic compounds has emerged as a central focus in modern asymmetric catalysis, driven by their pivotal roles as ligands (Ls), organocatalysts, and bioactive molecules. Over the past decade, significant advances have been made in developing catalytic strategies that enable precise control over phosphorus stereochemistry, expanding both the structural diversity and synthetic utility of these scaffolds. This review highlights recent progress in two key areas: direct P-C bond formation and desymmetrization. P-C bond-forming approaches include cross-coupling reactions of secondary phosphines or their oxides with aryl, alkyl, or benzyl halides, as well as hydrophosphination of alkenes and alkynes. Desymmetrization strategies encompass nucleophilic substitution at P(V) centers, cyclization, C-H activation (CHA), phenolic -OH activation, and P-O alkylation/arylation. Mechanistic insights into these transformations have been discussed, along with the derivatization of P-chiral products and their applications in catalysis, L design, and bioactive molecule synthesis. This comprehensive overview shall serve as a valuable resource for researchers working in asymmetric organophosphorus chemistry.
Keywords: desymmetrization; Hydrophosphination; P-C cross coupling; P-chiral phosphines; phosphination

Potential tuneable glucose oxidation to selective C6 molecules and CC cleavage, and parallel green H2 production: sustainable high current density electrolysis - Chauhan, Inderjeet; Patra, Kshirodra Kumar; Vijay, Pothoppurathu M.; Nalajala, Naresh; Mehta, Shweta; Joshi, Kavita; Ravindranathan, Sapna; Gopinath, Chinnakonda S. (Chemical Engineering Journal, 2026)
Current study elucidates the electrocatalytic efficacy of palladium-nanocubes (Pd-NCs) for the selective oxidation of glucose to value-added chemicals with concomitant hydrogen evolution. The Pd-NC catalyst demonstrated exceptional activity and product selectivity, achieving nearly quantitative glucose conversion (>99 %) with high gluconic and glucaric acid yield at low anodic overpotential (0.6 V vs. RHE) in alkaline electrolyte. At not-so-high elevated potentials (1.2 V vs. RHE), oxidative CC scission prevails, yielding shorter-chain carboxylates along with C6-acids. Reaction products are thoroughly characterized and quantitatively estimated by NMR spectral methods; NMR methods also provide CC cleavage and mechanistic pathways of glucose to various products. Complementary DFT calculations delineate the thermodynamic favorability of glucose adsorption on Pd-NC surfaces (-1.83 eV) and the exergonic oxidation pathway under applied bias, corroborating experimental product distributions. In a two-electrode electrolyzer, Pd-NC anode paired with Pt/C and Ni2P cathode demonstrates 100 mA/cm(2) at 0.99 V and 1.37 V, respectively, with 48 % reduction in energy input (26.6 kWh/kg H-2) compared to conventional alkaline electrolysis; critically, H-2 production energy is lower than the usable energy (33.3 kWh/kg H-2). Sustainable chronopotentiometric assays confirm sustainability (similar to 140 h) in alkaline as well as saline electrolytes, underscoring the system's resilience against chloride-mediated corrosion. Present work establishes a proof of concept for integrated biomass-component valorization and carbon-negative green hydrogen production, merging atomic-level mechanistic insights with scalable reactor design. Optimization of reaction parameters, including potential tuning, reaction temperature and electrolyte engineering, offers a compelling strategy to further enhance C6 and fragmented product selectivity and overall system efficiency.
Keywords: biomass valorization; electrocatalysis; energy conversion; Sustainability

Specificity and promiscuity of phosphoinositide lipid interactions with the serotonin1A receptor: insights from submillisecond coarse-grain simulations - Nikte, Siddhanta V.; Sengupta, Durba; Chattopadhyay, Amitabha (ACS Chemical Neuroscience, 2026)
G protein-coupled receptors (GPCRs) are lipid-dependent membrane receptors that serve as important cell signaling hubs. Phosphoinositide (PIP) lipids represent an important class of anionic lipids that play vital roles in neuronal function and signaling. PIP lipids have been reported to modulate GPCR function, although the specificity and molecular details of the interactions are still not clear. An important GPCR in this context is the serotonin(1A) receptor, a neurotransmitter GPCR, which has been reported to interact with phosphatidylinositol 4-phosphate (PIP1) lipids. In this work, we computationally analyzed the specificity of the serotonin(1A) receptor-PIP lipid interactions using coarse-grain molecular dynamics simulations. Our results predict that four anionic lipid sites are present at the receptor surface, although the relative populations are dependent on the lipid type. PIP1 lipids exhibit the highest interaction at a charged cleft formed by transmembrane helices VI and VII. We observed electrostatic interactions at a cluster of charged residues (Arg341, Lys342, Lys345) and hydrophobic and aromatic interactions at residue Ile349 and Tyr402. In contrast, phosphatidylinositol 4,5-bisphosphate (PIP2) and phosphatidylinositol 3,4,5-trisphosphate (PIP3) lipids interact more with transmembrane helix IV. We observed that anionic phospholipids such as phosphatidylserine (PS) interact at these sites, although their occupancy at these sites is much reduced. By elucidating the molecular determinants of these interactions in silico, this study generates novel, testable hypotheses regarding the functional role of specific lipid-receptor contacts. Our work constitutes an important step in analyzing molecular signatures of phosphoinositide lipid-GPCR interactions in the overall context of diverse roles of phosphoinositides in neuronal function and signaling.
Keywords: anionic lipids; Cholesterol; GPCR; MARTINIcoarse-grain simulations; PIP lipids; serotonin(1A) receptor

Surface coating induced lubrication in flowing granular materials - Chaudhary, Sayali V.; Orpe, Ashish V. (Physics of Fluids, 2026)
We investigate the flow of spherical, bulk granular particles down an inclined plane mixed with small-sized spherical lubricant particles using discrete element method simulations. Predefined cohesive interaction is implemented between lubricant and bulk particles, enabling the coating of the former over the latter. The overall flow rate exhibits non-monotonic dependence on lubricant content. Initially, it increases with lubricant addition, reaches a maximum at an intermediate lubricant content, and decreases for even higher lubricant content. The increase in the flow rate is attributed to a lower inter-particle friction coefficient between lubricant-coated bulk particles. The decrease in the flow rate at higher lubricant content, on the other hand, is attributed to enhanced densification and increased damping between crowded particles. Both these occurrences are examined using various flow level characteristics. The simulation results are found to be in qualitative agreement with previous experimental results. Overall, the outcome integrates novel computational insights and prior experimental results to enhance the understanding of the powder lubrication phenomena.

Targeted genomic surveillance unveils genetic variations linked to regional malaria drug resistance dynamics in India - Khilari, Ajinkya; Sharma, Shweta; Bajpai, Manali; Viswan, K. Anju; Chaturvedi, Rini; Mirdha, Bijay R.; Rahi, Manju; Sharma, Amit; Shanmugam, Dhanasekaran (Open Forum Infectious Diseases, 2026)
Background India has made substantial progress in reducing Plasmodium falciparum malaria cases and has set a target to eliminate malaria by 2030. Although artemisinin-based combination therapy (ACT) treatment remains effective, tracking regional differences in genetic variants associated with antimalarial resistance is required for effective drug policy implementation.Methods We analyzed 238 P. falciparum clinical samples from 6 Indian states by sequencing 15 parasite genes associated with reduced drug effectiveness. The method involved nanopore sequencing of target gene amplicons derived from dried blood spots using a highly-sensitive PfMDR15 surveillance panel.Results India's historical policy of artesunate-sulfadoxine-pyrimethamine in central India and artemether-lumefantrine in the Northeast has shaped contrasting resistance profiles. In the Northeast, chloroquine resistance persisted at high frequency (Pfcrt K76T and CVIET haplotype; Pfaat1 S258L), alongside quintuple and sextuple Pfdhfr-Pfdhps haplotypes conferring complete sulfadoxine-pyrimethamine resistance. Central India showed variable chloroquine resistance (parasites largely retained wild-type Pfcrt) and emerging lumefantrine tolerance (Pfmdr1 Y184F, Pfaat1 S258L). Interestingly, Delhi (Central India) parasites resembled profiles from the distant Northeast, which borders South East Asia. The detection of Pfaat1 S258L, previously reported only from Africa and associated with reduced lumefantrine susceptibility, suggests convergent evolution under ACT partner-drug pressure. No WHO-validated Pfk13 artemisinin resistance mutations were detected, supporting continued efficacy of ACT.Conclusions India's resistance landscape is fragmented, with signals of expanding lumefantrine tolerance and importation or evolution of globally relevant mutations. These findings highlight the importance of integrating molecular genomic surveillance into malaria control policy to monitor and protect ACT effectiveness and advance malaria elimination. Monitoring of drug resistance associated mutations in P. falciparum parasites is critical for effective drug treatment. We have demonstrated the use of a scalable genomic surveillance protocol for tracking drug resistance linked mutations in parasite genes from clinical isolates in India. The study suggests extensive regional diversity in antimalarial resistance profiles and provides the first hint of possible emergence of lumefantrine tolerance in India.
Keywords: drug resistance; malaria; Oxford nanopore; P. falciparum; pfMDR15

Thiophenol-mediated metal-free chemoselective conjugate reduction strategy for 3-alkylidene oxindoles - Patil, Baliram R.; Nichinde, Chandrakant B.; Girase, Amardipsing S.; Chaudhari, Suryakant S.; Kinage, Anil K. (RSC Advances, 2026)
A mild and metal-free thiophenol-mediated chemoselective conjugate reduction of 3-alkylidene oxindoles via a thiol-ene-type Michael addition was effectively carried out. Thiophenol as an efficient reductant is used in DMSO, and the transformation proceeds without the need for metal catalyst, external hydrogen source, or harsh reagents. The reaction displays a broad substrate scope, accommodating both electron-donating and electron-withdrawing substituents, and delivers 3-alkyloxindoles in high yields with excellent beta-selectivity. This sustainable and operationally simple method unveils a distinct thiol-mediated reduction mechanism, providing a green and versatile approach for accessing reduced oxindole derivatives and related Michael acceptors.