Journals
2025 EN
Tomar Ritu · Mishra Shashank Shekher · Sahu Vivek
+3 more
ABSTRACT Allamanda cathartica is a perennial shrub, traditionally used for the treatment of several ailments, including jaundice, malaria, and enlargement of the spleen. Besides ornamental values, the plant also possesses a wide variety of medicinal properties due to the presence of bioactive secondary metabolites of different chemical classes. The present work describes the phytochemical investigation of the leaf part of A. cathartica , which resulted in the isolation of five secondary metabolites ( ACL 1 – 5 ) of different classes, including β‐sitosterol ( ACL‐1 ), β‐sitosterol glucoside ( ACL‐2 ), ursolic acid ( ACL‐3 ), plumieride ( ACL‐4 ), and pinitol ( ACL‐5 ). The compound ACL‐5 was reported for the first time from the species. All the compounds were characterized by 1 H NMR, 13 C NMR, 2D NMR, and HRMS spectral analysis. Further to the plant extract, all the fractions and five isolated compounds were screened for in vitro α‐amylase and α‐glucosidase activity. The isolated compounds exhibited notable inhibitory activity against carbohydrate‐hydrolyzing enzymes. For α‐amylase inhibition, IC 50 values ranged from 522.95 to 662.67 µg/mL, with plumieride showing the highest potency at a concentration of 522.95 µg/mL and pinitol acetate the lowest at 662.67 µg/mL. Similarly, for α‐glucosidase inhibition, IC 50 values ranged from 576.82 to 691.12 µg/mL, where plumieride again demonstrated the strongest activity at 576.82 µg/mL and pinitol acetate the lowest at 662.67 µg/mL. In support, all isolated compounds were taken further for molecular modelling studies to observe the rationale of our in vitro studies. Therefore, this work concludes that the isolated compounds ACL‐4 and ACL‐5 have demonstrated strong antidiabetic potential, with ACL‐4 having a somewhat more powerful antidiabetic effect than ACL‐5 , according to both in vitro and docking experiments.
Journals
2025 EN
Kumar Phanindra · Mishra Tripti · Sahu Asima
+2 more
Golgi apparatus (GA) is a complex organelle controlling subcellular protein modifications, sorting, and transport. Dysregulation in GA leads to cancer development and metastasis. Consequently, development of small molecule fluorophores for illuminating GA in cancer cells remains a major challenge. To address this, herein, a small molecule library of four aggregation‐induced emissive probes (AIEgens) is designed and synthesized, having (a) indomethacin, a nonsteroidal anti‐inflammatory drug (NSAID) for GA homing; (b) 1,8‐naphthalimide‐N,N′‐disubstituted aniline as AIE inducer; and (c) amide/ester linkage between NSAID and AIE inducer. All the library members exhibited excellent AIE property in THF/water binary solvent systems through self‐assembly in water. Interestingly, one of the library members (compound 13), consisting of napthalimide‐N,N′‐dimethyl aniline as AIE inducer and amide linkage, efficiently homes into the GA of HCT‐116 colon cancer cells within 30 min and self‐assembled into 2D nanoscale materials, as shown by scanning electron and atomic force microscopy and confirmed by molecular dynamics (MD) simulations. Moreover, quantum mechanical calculations revealed intramolecular charge transfer (CT) between N,N′‐dimethyl aniline (donor) and naphthalimide (acceptor) as the underlying mechanism of the photophysical properties of compound 13. This novel AIEgen can serve as a chemical biology tool to visualize GA in cancer cells for next‐generation cancer therapeutics.
Journals
2025 EN
Shrivastava Aman · Patel Prakash Chandra · Tiwari Megha
+7 more
ABSTRACT Cardiovascular disease remains a leading public health concern, with heart failure representing a significant burden on healthcare systems globally. Effective chronic disease self‐management is essential to improve patient outcomes, particularly in managing heart failure. This review aims to explore the multifaceted strategies of chronic disease self‐management in heart failure, focusing on behavioral interventions, technological innovations, and integrated care models, while also addressing the underlying vascular pathology associated with disease progression. A comprehensive analysis of current literature was conducted to evaluate the efficacy of self‐management strategies, including behavioral therapies such as cognitive‐behavioral therapy and motivational interviewing, as well as the use of mobile health (mHealth) technologies and telemedicine. The review also examines the role of chronic inflammation in vascular smooth muscle cells (VSMCs) and its contribution to oxidative stress and vascular calcification. Behavioral interventions and digital health tools have been shown to enhance patient engagement, support lifestyle modifications, and improve adherence to therapy. Integrated care models that incorporate psychological, social, and medical support reduce hospital readmissions and improve quality of life. The pathological contribution of VSMC inflammation to vascular calcification highlights the need for comprehensive management strategies in heart failure. Self‐management strategies play a pivotal role in mitigating the morbidity and mortality associated with heart failure. Future directions should focus on personalized approaches, expanded use of digital health, and targeted educational outreach to empower patients and inform clinical practice. These interventions not only improve clinical outcomes but also offer actionable insights for healthcare providers and policymakers.
Journals
2025 EN
Sahu Jyotirmayee · Panda Jayashree · Sarangi Preeti Prabha
+1 more
Abstract Solar O 2 reduction reaction to produce H 2 O 2 facilitates ecofriendly, effective and efficient substitute for the industrial anthraquinone process for H 2 O 2 production. Meanwhile, concerns including rapid charge recombination and inadequate active sites hindered the photocatalytic activity. Accordingly, herein we addressed the above challenges by employing a photocatalyst based on CuS nanosheets loaded with CdSe quantum dots. A photocatalytic H 2 O 2 production of 1838 ± 32 µmol g −1 h −1 was achieved in presence of ethanol as sacrificial agent for CuS/CdSe which is 2.85 times higher than that of pristine CuS nanosheet (645 ± 38 µmol g −1 h −1 ), with 0.09% solar to chemical conversion efficiency. The result obtained from Pl and EIS analysis demonstrated that this higher photocatalytic efficiency facilitated by the loading of CdSe quantum dots on CuS nanosheet. The XPS, Mott‐Schottky analysis, and quenching experiments revealed the detail of charge transfer pathway for photocatalytic H 2 O 2 production. The oxygen reduction reaction proceeds through an indirect single electron route to produce H 2 O 2 , which showed stability up to four cycles. This study contributes to the significant insight about the synergistic impact of heterojunction and surface plasmon resonance effect on photocatalytic activity.
Journals
2025 EN
Agarwal Vidhi · Chakraborty Amrita · Prasun Aditya
+2 more
Abstract Nanoparticles with their high surface area to volume ratio, inherent optical and electronic properties substantially different from their bulk counterparts, and the possibility of tuning surface functionality have attracted tremendous attention in the area of catalysis. Carbonaceous nanomaterials have traditionally been used as a support for loading active catalysts to enhance the effective surface area. In recent years, zero‐dimensional carbon dots (CDs) have found tremendous utility in diverse fields such as catalysis, energy storage and conversion, water splitting, sensing, optoelectronics, and others. These multifold applications of CDs emerge from several advantages, such as ease of preparation, high solubility, low toxicity, high chemical stability, tunable optical properties such as absorption and emission, rapid electron transfer properties, etc. In the catalytic area, CDs have emerged as a carbocatalyst for various applications, ranging from environmental remediation, artificial enzymes, organic transformations, photocatalytic activity, etc. In this review, our primary focus has been the application of CDs as a catalyst for a variety of organic transformations, such as chemical catalysis, photocatalysis, and asymmetric synthesis, along with industrial applications such as CO 2 fixation and biodiesel production. The role of surface functionality on CDs and its effect on the catalytic activities have also been described. The advantages of CDs as a replacement for the expensive metal‐based catalysts, leading toward greener and sustainable organic catalysis, and potential future opportunities are also mentioned here.
Journals
2025 EN
Henkel Philip · Zhang Ruizhuo · Sahu Rajib
+4 more
Solid‐state batteries (SSBs) have emerged as promising candidates for next‐generation energy‐storage solutions, particularly for electric vehicle applications. To overcome challenges related to interfacial stability and electro‐chemo‐mechanical degradation during operation, the development of protective surface coatings for cathode active materials (CAMs) is essential. Lithium‐rich antiperovskites (LiRAPs) exhibit a unique set of beneficial properties, notably a high ionic partial conductivity at room temperature, enabling the deployment of advanced coating techniques via cost‐effective and environmentally benign methods. In the present work, the application of LiRAP coatings to a layered Ni‐rich CAM, namely LiNi 0.85 Co 0. 1 Mn 0.05 O 2 (NCM85), is examined, utilizing a low‐temperature and solvent‐free approach. The effectiveness of the procedure is evaluated through microscopy analyses and electrochemical performance assessments. The results demonstrate a significant improvement in cyclability, highlighting the potential of LiRAP‐based surface coatings for enhancing the performance and longevity of high‐capacity cathodes in SSB systems.
Journals
2025 EN
Gupta Kajal · Kumar Akshay · Patel Richa
+11 more
ABSTRACT The present study aims to find azole‐containing acetylcholinesterase (AChE) inhibitors for the treatment of Alzheimer's disease (AD) through a mixed in silico approach. The first step involved the collection of azole derivatives and predictive quantitative structure–activity relationship (QSAR) model development for their AChE inhibition activity, using multiple linear regressions (MLRs) with the genetic algorithm (GA) for feature selection. The developed GA‐MLR models were statistically robust enough internally ( R 2 a dj = 0.643–0.640, Q 2 LOO = 0.616–0.621) as well as externally ( R 2 pred = 0.626–0.658, R 2 M = 0.562–0.601). The prediction reliability of the models was assured through the leverage approach of the applicability domain. The most significant models were applied to azole‐containing PubChem database compounds, which were classified as active and inactive based on theoretical predictions. The toxicity analysis was also performed for the active compounds by the online web server Protox‐II. The less or nontoxic compounds were subjected to molecular docking, along with donepezil as a standard. Docking analysis revealed that the four compounds have better binding affinity (binding energy = −11.6 to −11.2 kcal/mol) as compared to donepezil (binding energy = −11 kcal/mol). Apart from binding energy, donepezil was observed to be toxic by the prediction from the Protox‐II. Finally, molecular dynamics (MD) analysis of two compounds (Compound 5, having the lowest IC 50 , and Compound 25, having the highest IC 50 among the top 4 docked compounds) not only differentiated them based on final interactions but also exhibited that the toxicity of donepezil might be due to hydrogen bonding with the active site.
Journals
2025 EN
Roy Keya · Saha Anay · Saha Bijay
+4 more
Abstract We present, for the first time, an efficient ligand‐free iron‐copper catalyzed cross‐coupling reaction involving a variety of aryl, heteroaryl halides (including chlorides, bromides, and iodides), and alkyl bromides with diverse aryl and aliphatic primary amides, conducted under solvent‐minimized conditions. This economically competitive protocol successfully yielded the corresponding cross‐coupling products, N ‐arylamides and N ‐alkylamides, in good to excellent yields with broad substrate scope (65 examples) and tolerance to several sensitive functionalities (including heterocycles). No conventional work‐up is required for this protocol, and the developed method is applicable for gram‐scale synthesis. Notably, the catalyst is inexpensive, environmentally friendly, and can be reused at least four times with minimal loss of catalytic activity. A series of experiments, including X‐ray photoelectron spectroscopy (XPS), UV spectroscopy, cyclic voltammetry (CV), electron paramagnetic resonance (EPR), and X‐ray diffraction (XRD) were conducted to identify the oxidation state of active catalytic species and radical clock experiment was performed using a radical probe to investigate the reaction mechanism. Furthermore, we evaluated the antibacterial and anticancer properties of selected synthesized products ( 3 ii , 3 xii , and 3 xxxx ) in‐vitro . The results indicated that the prepared compounds exhibited promising antibacterial and anticancer activities (MTT and Molecular Docking).
Journals
2025 EN
Roy Keya · Saha Anay · Saha Bijay
+4 more
An efficient, ligand‐free , iron–copper‐catalyzed cross‐coupling reaction involving a variety of aryl, heteroaryl, and alkyl halides, with diverse aryl and aliphatic primary amides has been established under solvent‐minimized conditions. This economically competitive protocol offered N ‐arylamides and N ‐alkylamides as cross‐coupling products in good yields with broad substrate scope and tolerance to several sensitive functionalities. MTT and molecular docking showed the products to have promising antibacterial and anticancer activities. The two people navigating a boat symbolize the iron and copper catalysts that drive the coupling reaction under solvent‐minimized conditions, aided by base, temperature, and a specific reaction time. The artificial cloud emerging from the product emphasizes the antibacterial and anticancer properties of the synthesized N ‐arylamides and N ‐alkylamides, which were studied in vitro. More information can be found in the Research Article by L. Adak and co‐workers (DOI: 10.1002/chem.202403649).
Journals
2025 EN
Sahu Apoorva · Rajanikanth BS
ABSTRACT Hazardous gases such as oxides of nitrogen (NO x ) come from fossil fuel combustion and, therefore, require special attention because there is a regular usage of fuel on a day‐to‐day basis. In the current work, a new methodology is proposed for diesel exhaust treatment involving electrical discharge plasma causing possible catalysis in a combination of two industrial wastes (composite waste) for removal of NO x . A dual‐metal film and helical wire reactor were used to generate surface discharge plasma at room temperature and pressure. Five composite wastes (CW), namely, waste tiles + foundry sand, copper slag + red mud, iron tailings + waste tiles, red mud + waste tiles, and foundry sand + red mud, were used to examine their catalytic properties. A 5‐kW diesel engine exhaust was sampled for laboratory experiments. The NO x removal efficiency, which was 16% under plasma‐alone treatment at a specific energy of 140 J/L, got enhanced to 80%–93% in plasma‐catalysis mode when CWs containing metal oxides were introduced into the plasma reactor. Further, it was verified that plasma catalysis with individual wastes yielded less NO x removal efficiency compared to that with CWs (40%–71% against 80%–93%), indicating the synergy of two wastes that are blended in the CWs.