The corrosion inhibition performance of (4-nitrobenzyl) triphenylphosphonium bromide (NBTPPB) on mild steel in 0.5 M H2SO4 was systematically evaluated through electrochemical, surface, and computational analyses. Potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) revealed that NBTPPB acts as an efficient mixed-type inhibitor, significantly increasing charge transfer resistance (Rct) and reducing double-layer capacitance (Cdl), consistent with Langmuir adsorption isotherm behavior. Surface characterization by SEM, EDX, and Atomic Force Microscopy (AFM) confirmed smoother and less damaged morphologies in the presence of NBTPPB, demonstrating the formation of a stable protective film. Density functional theory (DFT) calculations provided complementary insight, with a relatively small HOMO-LUMO gap (2.27 eV), high dipole moment (14 Debye), low global hardness, and high softness, all indicative of strong electronic reactivity. The calculated number of transferred electrons (Delta Ninh approximate to 1.5) confirmed effective charge transfer to the steel surface, while binding energy and molecular dynamics (MD) simulations revealed spontaneous and stable adsorption for both neutral and protonated species, with protonation enhancing adsorption strength in acidic conditions. Collectively, the results establish NBTPPB as a promising and environmentally viable corrosion inhibitor, with performance primarily governed by chemisorption reinforced by charge transfer interactions. This work also highlights the potential of phosphonium-based compounds as a platform for developing next-generation corrosion inhibitors.

Abstract: The cyclobutane analogues containing hetero atoms O and S, known as oxetanes and thietanes, represent a versatile class of molecules. Their distinct electronic properties and small heterocyclic systems make them interesting candidates to explore in contemporary organic chemistry. These compounds and their derivatives have garnered significant attention in organic synthetic methodologies, research, and medicinal chemistry owing to their distinctive reactivity and structural diversity. The inherent ring strain in these molecules provides the essential driving force for a wide range of chemical transformations. The pronounced ring strain in these moieties is the major reason behind their participation in ring-opening and rearrangement reactions. Oxetanes and thietanes prove to be viable candidates as key intermediates for the synthesis of complex biologically active materials and pharmaceuticals. The growing interest in these compounds has led to the development of efficient synthetic approaches and their applications in heterocyclic synthesis, natural product synthesis, and drug discovery. In this review, we have put forth a brief overview of synthetic approaches for Four-membered saturated heterocycles, including cycloaddition, intramolecular cyclization, C-H functionalization, ring expansion, ring contraction, cyclic thioetherification, nucleophilic displacement, and stereocontrolled synthesis. We have also discussed the application of oxetanes and thietanes in the construction of other heterocyclic frameworks primarily via ring expansion and ring opening approaches. Their involvement as key components in natural product synthesis and medicinal chemistry is also explored.

The corrosion inhibition performance of 5-Carboxypentyl Triphenylphosphonium Bromide (5-CPTPPB) for mild steel (MS) in 0.5 M H2SO4 solution was investigated using electrochemical, surface and computational methods. Galvanostatic polarisation and EIS show that at an optimal concentration of 10-2 M, 5-CPTPPB exhibited an inhibition efficiency above 97%, functioning as a mixed-type inhibitor that effectively suppressed both anodic and cathodic reactions. Thermodynamic studies show that the adsorption of inhibitor on the metal surface follows the Langmuir adsorption isotherm. Surface characterization techniques, including atomic force microscopy (AFM), and scanning electron microscopy (SEM) confirmed the development of 5-CPTPPB barrier layer on the metal surface. Fukui function analysis showed that protonation enhanced the electrophilic character of key atomic sites, supporting dual donor-acceptor reactivity. Molecular dynamics (MD) simulations further validated these findings showing highly negative interaction and binding energies, confirming spontaneous and stable adsorption. Additionally, Non-Covalent Interaction (NCI) analysis highlighted mixed physisorption-chemisorption mechanism. Collectively, the integrated experimental and theoretical results establish 5-CPTPPB as a highly effective, stable, and environmentally sustainable corrosion inhibitor for MS under aggressive acidic conditions.

The design of efficient, visible light driven, and recyclable photocatalysts is highly desirable for sustainable wastewater treatment. In this study, a rationally designed magnetically retrievable hierarchical three-dimensional (3D) ZnO nanoflower photocatalyst anchored on cobalt-decorated magnetic graphene oxide was successfully prepared and subsequently applied for the degradation of the carcinogenic and neurotoxic cationic dye-methylene blue under visible light irradiation. The distinctive flower-like ZnO structure offered a large surface area and abundant active sites, and graphene oxide worked as an efficient electron acceptor, effectively inhibiting electron-hole recombination and allowing the band gap of ZnO to be tuned to the visible region. The addition of cobalt further promoted photocatalytic activity by enhancing charge transfer, while magnetic nanoparticles enabled easy and environmentally friendly catalyst recovery. Photocatalytic degradation in a custom photoreactor achieved rapid, efficient degradation with strong recyclability across multiple cycles. Detailed structural, morphological and spectroscopic analyses confirm the successful synthesis of the hierarchical nanocomposite and reveal the synergistic effects underlying its superior performance. Compared with previously reported ZnO based photocatalysts, the hierarchical 3-D ZnO nanoflowers/graphene oxide/Fe3O4/Co nanocomposites reported in this work demonstrated improved activity and recyclability which clearly indicates its potential as a sustainable and efficient photocatalyst for the treatment of dye-polluted wastewater.

Toxic pollutants in aqueous media cause great harm to both the environment and living beings; thus, the remediation of such pollutants through the design and development of highly efficient and recyclable nanomaterials is pivotal. These nanoscale platforms enable superior adsorption and catalytic performance while minimizing energy input and secondary waste compared to conventional treatment technologies. Among the various nanomaterials investigated, magnetically retrievable graphene oxide nanocomposites have emerged as highly promising candidates for the remediation of a large array of pollutants, including heavy metals and organic contaminants such as dyes, pesticides, herbicides, and pharmaceuticals. The outstanding performance of such nanocomposites is attributed to their high specific surface area, which enables increased adsorption capacity, superior degradation efficiency, excellent stability, ease of magnetic separation, facile modification and functionalization. Furthermore, recent studies have demonstrated that coupling semiconducting metal oxides with graphene oxide-based nanocomposites yields photoactive materials with tailored band gaps, capable of harnessing solar or visible light for photocatalytic degradation, thereby providing an affordable, efficient, and sustainable strategy for treating air and water contamination. This review examines the synthesis and functionalization of such nanomaterials, with particular emphasis on their photocatalytic pollutant removal mechanisms. By integrating mechanistic insights with application-oriented considerations, this work offers a cohesive framework for the rational design of sustainable, reusable, and efficient nanomaterials for environmental remediation and water purification. In doing so, it bridges fragmented research efforts, highlights future research directions, and provides actionable insights for translating laboratory innovations into real-world environmental remediation solutions.

Sustainability in the fragrance and flavour (F&F) industry has become increasingly relevant, incorporating environmental, social and governance (ESG) principles into all aspects of the value chain. This review provides a comprehensive overview of sustainable fragrance by design by integrating ESG practices, regulatory frameworks, life cycle assessment tools, consumer perspectives, and industrial case studies. This review critically examines current sustainable practices adopted by the industry, including responsible raw material sourcing, green chemistry, low carbon processing, and minimising packaging waste. The need for standards such as the IFRA-IOFI (The International Fragrance Association - The International Organization of the Flavour Industry) sustainability charter and legislation such as REACH (Registration, Evaluation, Authorization and restriction of Chemicals) enables an organised approach to sustainable operations, along with industrial examples from established F&F companies exhibiting practical application. The review also explores innovative sustainability assessment tools, including EcoScent Compass™, GREEN MOTION™, and the IFRA Green Chemistry Compass, for their role in promoting life cycle assessment and safer ingredient selection. In addition, it examines consumer perception of biotechnologically derived ingredients through findings from experimental consumer studies and also discusses how sustainable product development aligns with the United Nations Sustainable Development Goals (UN SDGs). Overall, the review highlights the need for a systematic, science-based transition towards a “benign by design” approach, enabling the fragrance industry to combine responsible innovation with long-term environmental, social, and economic sustainability.

Through this research, we have established an environmentally friendly and sustainable approach for the synthesis of spirobarbiturate (SB) derivatives, which hold significant potential in the field of medicinal chemistry. The methodology emphasizes the design of safer synthetic routes, judicious selection of reagents, waste minimization, and the advantages of using green solvents. The spirobarbiturate derivatives were synthesized utilizing a one-pot, three-component reaction of arylidene-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-triones with dimethylacetylenedicarboxylate and triphenylphosphine in cyclopentyl methyl ether (CPME), a bio-based green solvent, under room temperature conditions. The synthesized compounds were characterized and in silico assessed by molecular docking and molecular dynamics (MD) simulations using GABA(A) and NMDA receptors. The methoxy-substituted spirobarbiturate showed the strongest binding and highest dynamic stability with the GABA(A) receptor, as determined by MMGBSA free energy calculations. The presented methodology highlights the importance of employing eco-friendly synthetic techniques in drug design research while the results of docking and simulation studies are indicative of exploring the potential use of synthesized compounds as neuronal drugs. Furthermore, this paper also provides the methodology of calculations for the 'green quotient' of the protocol employed, thereby advocating the promotion of green chemistry practices and skills in the newer generation of chemists.

Diagnosis of breast cancer at its onset is crucial for the therapeutics so as to make the condition treatable, thereby increasing the patient survival rate. We report herein a simple and efficient electrochemical method using NiO thin film-based immunoelectrode to detect the proteins released by cancerous cells in human plasma (CA 15-3 polyclonal antibody). The raised polyclonal antibody is confirmed by Scanning Electron Microscope (SEM), Western blot and ouchterlony techniques. The developed immunoelectrode (CA 15-3/NiO/ITO/glass) has a low detection limit of 5 U/mL, sensitivity of 0.18 mA/(UmL-1) and fast response time of 2 s, which is comparable to that obtained with commercial ELISA kit. The testing of real samples of breast cancer was carried out using both the prepared immunoelectrode and CA 15-3 ELISA kit and the outcomes show strong correlation with one another. Interference studies with other diseases such as ovary cancer, lung cancer, asthma and tuberculosis were also analyzed by both techniques. The prepared immunoelectrode (CA 15-3/NiO/ITO/glass) was found to be highly sensitive and selective towards breast cancer detection and pave the way for the development of a simple, cost-effective and fast detection technique for breast cancer detection. We used an agent-based simulation model to evaluate the effects of targeting distinct cancer cell populations in breast cancer. Results showed that targeting cancer stem cells (CSCs) prevents tumor regrowth but harms other living cells, while targeting migratory cancer stem cells reduces metastasis with minimal impact on tumor mass. Targeting transitory cells lowered tumor burden without affecting metastasis. These findings suggest that a combined approach targeting CSCs, migratory stem cells, and transitory cells is crucial for effectively managing tumor growth and metastasis, offering a comprehensive strategy for breast cancer treatment.

Remarkable progress in the field of organic synthesis has urged researchers to design catalytic systems that align with the principles of sustainability. Among these, metal-organic frameworks (MOF) have emerged as highly promising nanoscale catalytic materials owing to their abundant coordination sites and exceptional chemical as well as structural tunability in synthetic chemistry. Motivated by these unique attributes, we report the development of a nanoscale magnetic CoFe2O4/Mn-BTC composite via a solvothermal route. Comprehensive characterization using advanced techniques such as XRD, FTIR, TEM, FESEM, BET, TGA, EDX, XPS, VSM, and AAS provided detailed insights into the nanostructural, morphological, and magnetic features of the synthesized composite. The catalytic efficiency of the material was demonstrated in the synthesis of biologically important 1-[((5-methylbenzo[d]thiazol-2-yl)amino)(aryl)methyl)]naphthalen-2-ol derivatives, affording yields of up to 97% within remarkably short reaction times (15-30 min). Additional advantages include solvent-free conditions, broad functional group tolerance, use of readily available substrates, facile magnetic recovery, and recyclability up to five cycles, thereby establishing this methodology as both environmentally sustainable and economically viable for potential large-scale industrial applications.

We report herein a novel label -free polyaniline (PANI) based bisphenol A (BPA) electrochemical sensor fabricated on a flexible polyethylene terephthalate (PET) substrate. The PANI layer was electrochemically deposited on a gold -coated PET substrate using the facile amperometric (current-time transient) technique. A thorough investigation of the PANI sensing layer was done using Raman spectroscopy and field emission scanning electron microscopy (FESEM) characterization techniques. The sensing properties of the implanted matrix for BPA detection were investigated through cyclic voltammetry (CV). The fabricated electrochemical sensor showed linearity in the concentration range of 0.05---5.0 mu M, a higher sensitivity of - 56.69 A/M and a lower limit of detection (LOD) of - 1.06 nM. The sensor exhibited excellent flexibility and a better shelf life of 20 weeks. The results highlight the importance of PANI thin film as an attractive matrix for the realization of electrochemical sensor for BPA detection.

Spiro compounds being multi-cyclic systems linked by a single atom, have distinct three dimensionalities, and prominently hold a position of interest in the fields of synthetic and medicinal chemistry, pharmacology, material sciences and physics. Spirobarbiturate compounds which incorporate barbituric ring derivatives into spirocyclic structures have emerged as attractive synthetic targets for drug discovery as they are known to exhibit far-ranging pharmacological applications. In this review, we aim to bring to light the extensive, contemporary research applied to the synthesis of different spirobarbiturates having varied ring sizes (3, 5, 6 and 7 membered) in a classified manner. It presents the reported methods of synthesis along with their mechanistic pathways as well as the pharmacological activities of some of these synthesized biologically significant motifs.

Engineered magnetic biochar (EMB) is a multifunctional material that has gained increasing attention in environmental and industrial applications. This review explores various synthetic methods, and diverse applications of EMB, focusing on its enhanced potential for environmental remediation, and water treatment. The incorporation of metal, various functional groups along with magnetic nanoparticles into biochar matrices provides EMB with unique properties, enabling efficient adsorption of heavy metals, organic contaminants, and pollutants from aqueous solutions. There are extensive literature reports on the development of such engineered magnetic biochar adsorbents for effective and selective removal of a wide range of inorganic pollutants including heavy metals and inorganic ions from water. This article encompasses all the techniques which have been utilized for the engineering of the pristine magnetic biochar and its application specifically in heavy metal removal from water and summarizes the latest innovative research and knowledge in this field. Due emphasis has been shed on elaborating the mechanisms involved in the adsorption of inorganic pollutants, specifically heavy metals by these efficient materials. Until now, to the best of our knowledge, no review on tailored magnetic biochar covering the surface engineering techniques and adsorption mechanisms has been penned. In addition to shedding light on the fundamental aspects, this article also provides a critical comparison of these adsorbents with the literature reported ones which clearly highlight their efficacy and offers insights into the current advancements, challenges, and future prospects of EMB, emphasizing its potential to address environmental and agricultural sustainability challenge.

In recent years, nanotechnology has emerged as cutting-edge technology with multifarious applications in a wide array of fields. Green synthesis of iron nanoparticles (FeNP) are an upcoming cost effective and eco-friendly technique and recently gained significant importance. In the present study, green FeNPs were prepared using leaf litter which is one of the major seasonal waste contributors in urban built-up areas. Shedding trees during winter months (January - March) were selected. Most abundant trees were Pongamia pinnata (Indian beech), Morus alba (mulberry), Prosopis juliflora (mesquite) and Kigelia africana (sausage tree). Synthesized FeNPs were further used for degrading two commercial dyes, eosin yellow and fuchsin basic, via Fenton's mechanism. The study showed that the prepared nanoparticles were of iron oxides, but also reported presence of polyphenols as a capping agent. Dye degradation efficiency of nanoparticles synthesized by P. pinnata leaf litter was recorded to be highest, whereas the efficiency of nanoparticles synthesized by K. africana leaf litter was lowest. Chances of iron leaching during dye degradation process was also tested and observed that Fe was present in treated water below the standard guidelines. Thus, FeNPs can serve as a low-cost solution to remediate water pollutants with a green approach. Implications: Nanoparticles prepared in the study were showed as a promising adsorbent and demonstrating high surface area and well-developed porosity. The prepared adsorbent will have a great impact on wastewater treatment technology and possible applications at a large scale. There are several applications of nanoparticles in pollution remediation and at the same time it can solve solid waste issues as it required to prepare nanoparticles. One of the major applications at policy level can be water pollution remediation which is urgently needed.

Green Fe NPs were synthesized using Aegle marmelos waste peel extract. The synthesized NPs showed good catalytic activity towards Fenton oxidation of pollutant dyes. Reaction kinetics suggested that oxidative degradation follows the pseudo first order model. The nanocatalyst showed good reusability.

Free-standing sheets of zinc oxide (ZnO) nanoparticles/ poly (methyl methacrylate) (PMMA) nanocomposite were synthesized and their ultraviolet (UV) shielding properties were investigated. ZnO nanoparticles of different sizes were synthesized using the sol-gel method. We obtained ZnO nanoparticles of sizes similar to 25, 40, 120 and 200 nm corresponding to the annealing temperature of 300 degrees C, 500 degrees C, 700 degrees C and 900 degrees C. These nanoparticles were separately dispersed in PMMA THF solution, to obtain transparent ZnO/PMMA free-standing sheets. ZnO/PMMA free-standing sheet corresponding to the smallest ZnO particles exhibited prominent UV absorbing capability. The mechanism of the dominance of band edge related transition as compared to defect-related emission in ZnO/PMMA composite and the effect of nanoparticle size is also explained. These UV blocking free-standing sheets can prove to be crucial in UV blocking applications and hence critical ailments associated with it.

Bullwhip effect reduces the efficiency, responsiveness, and value of the supply chain. There are some indirect causes like lead time, the number of echelons, and some direct causes of bullwhip effect such as rationing or price variation. Due to capacity constraints, retailers are forced to experience rationing of their demands. Fear of rationing usually gives rise to manipulable demand and hence increases the bullwhip effect. Moreover, if the retailer’s demand is price sensitive then it will cause price variation. The offerings of premium payment by retailers due to unfulfilled demand lure the supplier to extend his existing capacity and to allocate them more supply. In this paper, an attempt has been made to mitigate the impact of the bullwhip effect using a premium payment scheme. A technique has been coined that will help in reducing the bullwhip effect. The increased value of the supply chain on using a premium payment scheme is proof of the reduction of the bullwhip effect. Results are validated through numerical analysis.

We report an indium tin oxide (ITO) free inverted organic solar cell with an alternate aluminium doped zinc oxide (AZO) front cathode layer based on the consideration of blocking harmful ultraviolet (UV) rays, which is one of the prominent reasons for degradation of organic solar cells. To further enhance the power conversion efficiency of AZO/ZnO/PTB7:PC71BM/MoO3/Ag organic solar cell, plasmonic gold nanoflowers were embedded inside the active layer. The critical parameter of thickness of electron transport layer (ETL), hole transport layer (HTL) and active layer war first optimized through simulations using general purpose photovoltaic device model (GPVDM) software. The experimental fabrication of the desired geometry was then carried out based on opti-mized thickness. The power conversion efficiency (PCE) under UV exposure was found remarkably constant for AZO front electrode solar cell was as compared to conventional ITO based organic solar cells. This is attributed to the UV blocking property of AZO. The PCE was boosted from 6.19% to 7.01% on further use of plasmonic Au nanoparticles in the active layer of AZO/ZnO/PTB7:PC71BM/MoO3/Ag. This work provides a practical insight of developing an ITO free, plasmonic nanoparticles assisted inverted organic solar cell with enhanced efficiency and stability.

Coronavirus disease-2019 (COVID-19), associated with the outbreak of deadly virus originating in Wuhan, China, is now a global health emergency and a matter of serious concern. Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is rapidly spreading worldwide, and WHO declared the outbreak of this disease a pandemic on March 11, 2020. Though some of the countries have succeeded in slowing down the rate of the spread of this pandemic, most the countries across the globe are still continuing to experience an increasing trend in the growth and spread of this deadly disease. Hence, in the current scenario, is has now become essential to control and finally irradicate this deadly disease using an effective vaccine. One can expect the prominent role of already available antivirals, antibodies and anti-inflammatory drugs in the market, in this pandemic. Immunomodulatory and biological therapeutics are also in the high expectations to combat COVID-19. RNA based vaccines might be more advantageous over traditional vaccines, to deal with the pandemic threat. Aiming towards this direction, clinical trials for SARS-CoV-2 vaccine are currently underway all across the globe. Currently, about 150 health related organizations and research labs are in the progress for the evolution of COVID-19 vaccines, globally. The initial aim of these clinical trials is to assess vaccine's safety, which is tested in Phase I/II/III studies where the primary outcomes typically examine the frequency of adverse effects. The vaccine is about to undergo phase III testing in several countries such as India, USA, South Africa, Brazil and England. US Government, under Operation Wrap Speed is even ready to sponsor three candidates, namely-The University of Oxford and AstraZeneca's AZD1222; Moderna's mRNA-1273; and Pfizer and BioNTech's BNT162 for Phase III trials.