Micromeria biflora (M. biflora), a medicinal plant, was systematically investigated for its phytochemical composition as well as its antioxidant and antimicrobial activities. Although the plant is widely employed in traditional medicine, comprehensive scientific evidence elucidating its therapeutic efficacy remains limited. To bridge this knowledge gap, the present study adopts an integrated multidisciplinary strategy combining Gas Chromatography-Mass Spectrometry (GC-MS) profiling, in vitro biological assays, molecular docking, and Density Functional Theory (DFT) analyses. The methanolic extract of the plant and its solvent-partitioned fractions were analyzed using GC-MS, which identified a total of 74 compounds. Antioxidant activity was evaluated using 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2 '-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), and ferric ion reducing antioxidant potential (FRAP) assays, with ethyl acetate fraction demonstrating the highest radical scavenging capacity. Antimicrobial efficacy was assessed, revealing that the n-hexane fraction exhibited the most potent activity. Molecular docking studies were conducted on penicillin-binding protein 5 of Escherichia coli (E. coli) and sterol 14-alpha demethylase of Candida albicans (C. albicans) and showed strong interactions for 3,5,6,12-tetrahydroxyergostan-25-yl acetate, ferruginol, and 3-ethyl-3-hydroxyandrostan-17-one. DFT calculations identified 3,5,6,12-tetrahydroxyergostan-25-yl acetate as the most reactive, polar, and stable compound, based on its highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap (6.99 eV), high dipole moment (5.63 D), and lowest energy value (-1623.64 Eh). Structural visualization confirmed optimized geometries without steric anomalies, supporting docking interactions. This multidimensional study validates the traditional medicinal relevance of M. biflora and provides the first comprehensive mechanistic insights at the molecular level.
The influence of freeze-thaw conditions on water-holding capacity (WHC), swelling capacity (SC), and oil-holding capacity (OHC) of Nelumbo nucifera rhizome starch (NNRS) was optimized. For optimization, a 4-factorial central composite design (CCD) was constructed on three levels of each of the four input factors, including freezing temperature (F-T: 0, -20, -40 degrees C), freezing time (F-t: 24, 48, 72 h), thawing time (T-t: 2, 4, and 6 h) and freeze-thaw cycles (FTC: 2, 4, and 6 h). The NNRS was treated using various combinations of input variables that CCD chose. The freeze-thaw-treated N. nucifera rhizome starch (FTT-NNRS) was examined for its physical and functional characteristics. A statistically significant main effect (p < 0.001) of freeze-thaw treatment was observed on WHC, SC, and OHC of NNRS. F-T showed a positive linear effect on WHC and SC, a positive quadratic effect on WHC, SC, and OHC, and a positive interaction with FTC on SC and F-t on OHC. F-t has a linear impact on SC, a positive quadratic effect on SC and OHC, and a positive interaction with FTC on SC and OHC. It showed a positive interaction with F-T on OHC and a quadratic effect on WHC and SC. FTC showed a positive linear effect on WHC, SC, and OHC and a quadratic effect on WHC and SC. Freeze-thaw treatment resulted in about 26%, 83%, and 28% increase in WHC, SC, and OHC, respectively. The optimum levels of free-thaw variables to achieve the optimal levels of WHC (126.75%), SC (616.65%), and OHC 177.59%) were F-T: -18.64 degrees C, F-t: 71.75 h, T-t: 5.97 h, and FTC: 5.75, for WHC, F-T: -18.8 degrees C, F-t: 71.59 h, T-t: 3.98 h, and FTC: 3.86 for SC and F-T: 14.65 degrees C, F-t: 45.46 h, T-t: 2 h, and FTC: 2 for OHC. The observed variations in WHC, SC, and OHC of FTT-NNRS were attributed to time-dependent changes in starch structure and the exposure of hydroxyl groups. In conclusion, freeze-thaw treatment significantly changed the morphology and structure and enhanced the water absorption, swelling, and oil absorption capacities of NNRS.
Nocardia farcinica is a rare but clinically significant pathogen causing nocardiosis, a severe opportunistic infection. Although isolates are generally susceptible to antibiotics such as amikacin, imipenem, ciprofloxacin, and trimethoprim-sulfamethoxazole, the recent emergence of resistant strains highlights the urgent need for novel therapeutic strategies. This study employed subtractive proteomics and reverse vaccinology methods to identify potential vaccine targets against N. farcinica. The reference proteome comprising 5934 proteins was analyzed, and host non-homologous proteins were identified after comparison with the human and gut microbiome proteomes. Subsequent analyses of virulence, antibiotic resistance, and subcellular localization led to the selection of potential drug and vaccine candidates. Among these, one protein (WP_011210770.1) met all physicochemical, antigenicity, and allergenicity criteria. The epitopes were predicted with T-cell epitopes showing 99.95
In this work, a novel portable paper-based sensor is developed using a porphyrin-embedded molecularly imprinted polymer for caffeine quantification. This study entraps tetraphenylporphyrin (TPP) within the template-induced cavities of cellulose molecular aggregation-polished porous particles, thereby modulating TPP's optical response. All techniques (FTIR, XRD, and TEM) demonstrated successful polymer formation with selective binding cavities and reversible caffeine interactions via non-covalent forces. The sensor covered a linear range of 1-100 µM with a 1.62 µM limit of detection and a Stern-Volmer correlation (R 2 = 0.99). Stability was demonstrated with high selectivity, an imprinted factor of ∼3, over 85% response after five cycles, and less than <10% signal loss over 30 days. Average recoveries of 93-99% (real-samples analysis - tea, coffee) provide a cost-effective and readily interpretable approach for the field-based monitoring of caffeine.
Photocatalysis using Fe2O3/g-C3N4 heterojunctions is highly studied, but most studies concentrate on singlereaction behaviour without a systematic correlation of the interfacial structure, Fe3+/Fe2+redox chemistry, and multifunctional catalytic performance. Specifically, the importance of interfacial electronic coupling as a means through which both thermocatalytic and photocatalytic cycles can be supported within a single framework is not fully disclosed. The present work was carried out by thermal polymerization and then the deposition of hematite to create a Fe2O3 /g-C3N4 heterostructure that enhances good interfacial interaction. The structural and physicochemical characterization (XRD, FTIR, UV-vis DRS, SEM-EDX, BET, and TGA) revealed crystalline Fe2O3 nanoparticles uniformly attached to layered g-C3N4, which leads to modulation of the bandgap, absorption in the visible light, and the increased accessibility of the surface. The composite was found to be efficient in hydrogen production under dark thermal situations by thermocatalytic dehydrogenation of formic acid, in which catalytic turnover was controlled by redox cycling of Fe3+/Fe2+ and electron transfer via protons. The systematic analysis of reaction parameters provided good structure-kinetic correlations. When subjected to visible-light irradiation, methylene blue degradation was enhanced through the production of reactive oxygen species with the help of the enhanced charge separation. The results have shown that interfacial redox engineering in Fe2O3/ g-C3N4 regulates dual catalytic performance that offers structure-function information on multifunctional heterojunction design to support sustainable hydrogen generation and environmental cleanup. This increased activity is explained by interfacial charge transfer and redox synergy between Fe2O3 and g-C3N4, which enhances the use of charge in the presence of visible-light irradiation, as well as the occurrence of the appearance of the redox reactions at the surface when formic acid is dehydrogenated.
Because of the extensive pollution caused by industrialization and anthropogenic activities, life on the earth is in danger. Among a number of contaminants, the contamination due to the existence of toxic heavy metals in freshwater reservoirs is one of the main issues that need urgent attention. The mucilage/acemannan (AC) was extracted from the Aloe vera plant leaf. AC was then esterified with maleic anhydride through a base-catalysed esterification reaction and converted to maleated-acemannan (MAL-AC). The MAL-AC was neutralized to sodium salt of MAL-AC (Na-MAL-AC) by saponification with NaHCO3, dried, and stored. The FTIR spectroscopic analysis of AC, MAL-AC, and Na-MAL-AC confirmed the formation of MAL-AC and Na-MAL-AC. The TGA analysis witnessed the greater stability of Na-MAL-AC than AC. SEM images revealed the rough and porous nature of AC, MAL-AC, Na-MAL-AC, and Pb-MAL-AC. The pHZPC of Na-MAL-AC was 4.90 which indicated the presence of negative charge on its surface. The highest adsorption capacity of Na-MAL-AC to remove Pb(II) was 625 mg/L from DW and 555.55 mg/L from HGW according to Langmuir isotherm. The pseudo-2nd order kinetic model best described the Pb(II) adsorption on Na-MAL-AC surface according to chemisorption mechanism. The EDX analysis and ideal fitting of Boyd's model to adsorption data indicated the involvement of ion-exchange mechanisms in Pb (II) adsorption. The thermodynamic study showed the spontaneity and exothermic nature of Pb(II) adsorption by Na-MAL-AC. The Na-MAL-AC was found regenerable and hence can be used several times prior to replace.
In this work, laser‐induced technology was utilized to convert polyimide films coated on indium tin oxide (ITO) substrates into laser‐induced graphene (LIG), thereby fabricating LIG/ITO electrodes. A 1 mg/mL graphdiyne (GDY) dispersion was subsequently deposited on the LIG/ITO surface through a drop‐casting strategy to prepare nanoscaled GDY/LIG/ITO electrochemical electrodes. The morphology and structural properties of the composite were systematically characterized by scanning electron microscope, transmission electron microscope, X‐ray photoelectron spectroscopy, and Raman spectroscopy. The analytical results demonstrated that GDY was uniformly immobilized on the surface of LIG to form a homogeneous composite film. Owing to the distinctive few‐layer GDY/LIG heterostructure, the optimized electrode exhibited an enlarged electrochemically active surface area and accelerated charge transfer efficiency. Accordingly, the sensor delivered excellent detection performance toward dopamine (DA), possessing a wide linear range of 1–1000 μM and a low limit of detection of 0.33 μM. Moreover, the fabricated sensor was successfully applied for the quantitative detection of DA hydrochloride injection samples, achieving acceptable recoveries ranging from 98.5% to 100.9%. These results verify that the GDY/LIG electrode possesses great potential for practical analytical applications.
This study reports the hydrothermal-assisted green synthesis of Cu-doped ZnO/CdS nanocomposites (ZnO/CdS NCs-Cu 0-7 %) using Carissa macrocarpa fruit extract and evaluates their dual performance in wastewater treatment and hydrogen generation. UV-Visible analysis showed a Cu-induced redshift in surface plasmon resonance (SPR) peaks of ZnO/CdS NCs from 380-460 nm and bandgap narrowing from 2.70 to 2.15 eV with the increase of Cu content. Fourier Transform Infra-red Spectroscopy (FTIR) confirmed extract-based capping, while X-ray Diffraction analysis (XRD) verified the coexistence of ZnO and CdS phases with crystallite sizes of 16.20-24.34 nm. Scanning Electron Microscopy (SEM) revealed morphology refinement and particle size reduction at optimal doping, and Energy-Dispersive X-ray Spectroscopy (EDX) and Inductively Coupled Plasma Optical Emission Spectroscopy (ICP-OES) confirmed elemental purity. X-ray Photoelectron Spectroscopy (XPS) analysis was carried out to analyze the surface composition and oxidation states of elements in surface. Cu incorporation significantly enhanced photocatalytic activity, with 5 % Cu-doped ZnO/CdS NCs achieving 94% methylene blue (MB) degradation with a rate constant of 3.25 & times; 10-2 min-1 under sunlight. The same composition also delivered strong hydrogen evolution performance, reaching a turn over frequency (TOF) of 1463.66 h-1 at 70 degrees C during formic-acid-assisted H2 generation. Reaction parameters such as pH, solvent, base, and temperature were systematically evaluated. Overall, Cu-doped ZnO/CdS NCs demonstrated promising multifunctionality for sustainable pollutant degradation and clean energy production.
Alzheimer's disease (AD) is characterized by the gradual deterioration of cognitive functions, speech impairment, and memory loss. It can potentially be treated by targeting the beta-site amyloid precursor protein cleavage enzyme 1 (BACE1), which plays a key role in amyloid plaque formation, neurofibrillary tangles, and hyperphosphorylated tau protein. Current drugs have limitations in terms of safety, efficacy, and blood-brain barrier permeability. In view of this, this study was designed to determine the potential inhibitors of the BACE1 enzyme by virtual screening using a curated library of 415 natural products including terpenoids, phenolic compounds, and alkaloids from different medicinal plants. Based on the docking score and interaction analysis, 50 compounds were selected for the downstream analysis, such as ligand binding interactions, pharmacokinetics, druglikness and physicochemical parameters. Among the lead compounds, Palmatine (compound 45) and Berberine (compound 49), demonstrated optimal drug-likeness and blood-brain barrier permeability among the top compounds. 2-[(9Z,12Z)-heptadeca-9,12-dienyl]-6-hydroxybenzoic acid (compound 4) was inactive in most toxicity parameters. Pharmacophore analysis revealed that Palmatine and Berberine share similar features with the standard, highlighting their potential as effective compounds. Furthermore, structural chemistry analysis provided insights on their shared isoquinoline alkaloid framework, illustrating their structural similarities. Molecular dynamics simulations confirmed the stability of the Palmatine-BACE1 and Berberine-BACE1 complexes during a 50 ns production run. Overall, these findings highlighted the potential of Palmatine and Berberine as promising candidates for the experimental validation and the development of the drugs for the treatment of AD.
Lanosterol 14-alpha demethylase (CYP51), encoded by the Erg11 gene, is a crucial enzyme in pathogenic fungi. It catalyzes the demethylation of lanosterol to ergosterol, a vital component of fungal cell membranes. Inhibition of CYP51 disrupts ergosterol biosynthesis, compromises membrane integrity, and inhibits fungal growth, making it a key target for antifungal therapy. In this study, we employed a comprehensive computational approach comprising molecular docking, drug-likeness analysis, dynamics simulations, pharmacophoric feature modeling, ADMET profiling, and pharmacokinetic (PK) simulations to identify novel CYP51 inhibitors from a library of 1,200 plant-derived metabolites. Of these, 211 compounds exhibited stronger binding affinities than voriconazole, a widely used antifungal agent. The top 10 metabolites showed strong interactions with key substrate recognition sites (SRS1, SRS2, SRS4, and SRS6) of CYP51. MD simulations of the top three candidates, Boeravinone D, Nimbidin, and 7-acetyl neotrichilenone, revealed stable binding conformations primarily driven by non-polar interactions, as confirmed by MM/GBSA binding free energy calculations. Notably, Nimbidin exhibited the most favorable binding energetics, supported by Gibbs free energy and hydrogen bonding analyses. Principal component analysis (PCA) further indicated distinct and stable dynamic behaviors of the ligand–protein complexes. Pharmacokinetic simulations suggested that Boeravinone D and Nimbidin may maintain prolonged plasma concentrations, indicating strong therapeutic potential. All three candidates showed favorable ADMET profiles, although 7-acetyl neotrichilenone may require optimization to improve solubility. These findings identify Boeravinone D, Nimbidin, and 7-acetyl neotrichilenone as promising CYP51 inhibitors. Further in vitro and in vivo studies are warranted to validate their antifungal efficacy and advance them as potential therapeutic agents.
A green hybrid AgNPs@ZnO nanocomposite (NC) was prepared, employing Cyperus scariosus root extract as a natural reducing and stabilizing agent. The prepared nanostructure was thoroughly investigated via UV-vis, Fourier Transform Infrared Spectroscopy (FTIR), X-ray Diffraction (XRD), Scanning Electron Microscope (SEM), Energy Dispersive X-ray Spectroscopy (EDS), Thermogravimetric Analysis (TGA), and Brunauer-Emmett-Teller (BET) analyses and confirmed the success of Ag deposition and the mesoporous support with considerably increased surface area and stable nature. The dual-functional catalytic activity of AgNPs@ZnO was also tested for hydrogen evolution reaction (HER) at low temperature with Formic Acid (FA) as a hydrogen source and the photo-catalytic degradation of Tetracycline (TC) under solar light. The catalytic dehydrogenation of formic acid (FA) on Ag@ZnO NCs was systematically investigated under various experimental conditions. The catalyst exhibited outstanding efficiency at pH 4 with a TOF of 3935 h-1 owing to abundant protons and a thermodynamically favorable Ag-ZnO interfacial synergy. The FA/Sodium Format (SF) molar ratio (3 : 1) and the catalyst amount (15 mg) were optimized, whereas water was evaluated as being more effective than DMF or methanol. These results reveal that Ag@ZnO NCs are highly active catalysts for the efficient, selective, and recyclable hydrogen generation from FA under an optimal reaction condition. Photocatalytic degradation of TC was carried out using AgNPs@ZnO, showing an efficient and fast removal (∼99% over 45 min) following pseudo-first-order kinetics, with a low Activation Energy (E a) value (4.94 kJ mol-1) and favorable thermodynamic parameters (ΔH = 2.32 kJ mol-1 and ΔG ≥ 27 kJ mol-1). The studies of scavenger and band-edge showed that superoxide (˙O2 -) and hydroxyl (˙OH) radicals were major Reactive oxygen species (ROS) in the system, and were enhanced by the synergistic Ag-ZnO effects. The good recyclability of the nano catalyst revealed the potential of NCs for practical applications toward energy and the environment.
Increased levels of oxalic acid are associated with an increased risk of kidney stone formation, which can lead to renal failure. In addition, its high concentration in the blood can lead to cardiovascular diseases. Therefore, it is vital to detect and quantify oxalic acid economically and rapidly. Copper oxide nanoparticles (CuONPs) are gaining importance as colorimetric nanosensors due to their intrinsic color change, cost-effectiveness, and easy synthesis. Paracetamol-mediated CuO NPs were synthesized through a new approach and characterized through various spectroscopic and morphological techniques. UV-visible spectroscopy confirmed the synthesis of CuO NPs through surface plasmon resonance at 225 nm. The peak at 850 cm-1 corresponds to the stretching vibration of CuO NPs. The XRD and SEM characterization techniques confirmed the particle size of 27.51 nm with a spherical morphology. A machine learning-assisted strategy was developed with four prediction models: Random Forest, Linear Regression, XGBoost, and Decision Tree Regression. The intrinsic colorimetric features of CuO NPs were observed through the naked eye and quantified through spectroscopy with the addition of oxalate. The developed platform selectively detected oxalate levels in concentrations ranging from 1 to 120 µM, with a limit of detection (LOD) of 0.23 µM and a limit of quantification (LOQ) of 0.78 µM. The developed biosensor successfully quantified oxalate, crucial for diagnosing hyperoxaluria and preventing calcium oxalate stone formation in the kidneys. The machine learning complementary tools further bolster the accuracy of colorimetric concentration prediction.
SrO–Co3O4 nanoparticles loaded on reduced graphene oxide (SrO–Co3O4@rGO) were synthesized through a facile impregnation-reduction route. Physicochemical characterization was conducted to demonstrate the successful synthesis and the structure-property relationship of the catalyst. The catalysts were characterized using UV-Vis spectroscopy, from which their optical band gap was estimated. The SrO–Co3O4@rGO composite also exhibits enhanced visible-light absorption behavior compared with GO, implying greater visible-light adsorption capability. Moreover, the maximum absorption peak shifted from 270 to 260 nm, indicating that there was a little blue shift, which could be due to the result of electronic interactions between rGO and SrO–Co3O4 species. The crystalline phases of SrO, Co3O4, and rGO were characterized by XRD, and the well-distributed nanoparticle distribution on rGO sheets was determined by SEM-EDX. FT-IR confirmed the presence of metal-anchoring functional groups, and TGA showed good thermal stability of the graft. The Brunauer–Emmett–Teller (BET) test showed a mesoporous structure, a large surface area, and an appropriate pore-size distribution suitable for improved mass diffusion. Catalytic analysis of formic acid (FA) dehydrogenation yielded enhanced hydrogen evolution rates, and the highest apparent turnover frequency (TOF) was 5881.1 h−1 under mild conditions. The reaction kinetics followed pseudo-first-order behavior, and the activation energy (Ea) was determined to be 37.34 kJ mol−1. Moreover, the SrO–Co3O4@rGO photocatalyst was also more active towards methylene blue (MB) degradation and followed pseudo-first-order kinetics with an activation energy of 10.8 kJ mol−1. The results of the radical scavenging experiments suggested that O2˙− and photogenerated holes h+ were the main reactive species. The rGO support may facilitate interfacial electron transfer, thereby facilitating directional charge transport and reducing recombination. The combined effects of SrO and Co3O4 present promising dual-function catalytic properties in SrO–Co3O4@rGO for clean energy generation and wastewater treatment.
Imidacloprid, a widely used neonicotinoid pesticide, has raised concerns about water pollution and ecological toxicity; thus, fast and accurate detection methods suitable for field testing are urgently needed to protect the environment. Although chromatographic methods are highly sensitive, they require expensive equipment and are not suitable for on-site analysis. Herein, a competitive host-guest displacement strategy-based ratiometric colorimetric sensing platform using beta-cyclodextrin-modified gold nanoparticles (beta-CD-AuNPs) has been developed for the selective detection of imidacloprid. Phenolphthalein encapsulated in beta-CD surface cavities has been used to stabilize nanoparticle dispersion. Imidacloprid binds more strongly than phenolphthalein to beta-CD, allowing the displacement of the latter, and this induced reduction in surface charge led to controlled NP aggregation. This produced a measurable plasmonic shift from similar to 535 nm to similar to 650 nm, enabling rapid and visually observable ratiometric colorimetric detection of imidacloprid. The sensor exhibited a low detection limit of 0.237 mu M, an excellent linear response, and high selectivity for structurally similar neonicotinoids. Time-dependent kinetic modeling, dynamic light scattering, and zeta potential measurements demonstrated pseudo-first-order kinetics and validated electrostatic-driven aggregation. The sensing platform also exhibited good storage stability after 14 days, with only minor signal fluctuations. The procedure showed acceptable recoveries (94-103%) with relative standard deviations below 4% in tap, river, and agricultural runoff samples. Combining supramolecular recognition with plasmonic coupling and mechanistic confirmation, this work offers a strong and laboratory-friendly hybrid system for the surveillance of imidacloprid in the environment.
In this study, a bimetallic nanocomposite (NC) of strontium and nickel supported on reduced graphene oxide (Sr-Ni@rGO) was successfully synthesized via a facile chemical reduction method. The incorporation of Sr and Ni nanoparticles onto the conductive rGO matrix created a synergistic interface that significantly enhanced both catalytic and photocatalytic performance. Comprehensive characterization confirmed the successful reduction of GO (FTIR, UV-Vis), uniform nanoparticle dispersion (SEM-EDS), high crystallinity (XRD, Raman), and a large surface area of 59.08 m2 g- 1 with mesoporous features (BET and BJH analyses). The optimized Sr:Ni (80:20) composition exhibited outstanding catalytic activity for hydrogen (H2) evolution from NaBH4 hydrolysis, achieving a turnover frequency (TOF) of 327.7 min- 1 and a low apparent activation energy of 49.64 kJ mol-1. The same catalyst also showed excellent photocatalytic degradation of methyl violet (MV) dye, attaining 94% degradation within 90 min under visible light with an activation energy of 7.90 kJ mol-1. The excellent recyclability and dual functionality demonstrate the synergistic interaction of Sr and Ni on rGO, enhancing electron transfer, charge separation, and active site accessibility. This work introduces Sr-Ni@rGO NC as an efficient, low-cost, and multifunctional nanocatalyst for sustainable hydrogen production and wastewater purification, contributing to green energy and environmental remediation strategies.
Food formulators can design more effective food products for people with diabetes by considering molecular interactions. The objective of this work is to investigate the volumetric, acoustic and computational insights the into kosmotropic and chaotropic interactions, focusing on the effects of hydrated ions in aqueous lactitol solutions. The density ρ and sound velocity μ of aqueous lactitol solutions in the absence and presence of NaCl and KCl have been measured at different temperatures, 293.15 K, 298.15 K, 303.15 K, 308.15 K, 313.15 K, and 318.15 K, and at a pressure of 101 kPa through DSA 5000 M. The experimental data have been used further to calculate volumetric-acoustic parameters such as partial molar volume (∅v°), partial specific volume (SV°), partial molar compressibility ∅k°, etc. The positive trends of ∆t∅v° values for Na+ exhibited a kosmotropic nature and developed strong hydrophilic interactions. In contrast, the chaotropic nature of K+ disrupted the water structure, leading to a decrease in ∆t∅v°. The SV° values showed that lactitol remained sweet in the presence of electrolytes. In order to confirm the experimental results, quantum chemical calculations were performed using density functional theory (DFT) through the Gaussian software. The study included calculations of molecular orbitals, with particular emphasis on the HOMO and LUMO.
Cadmium (Cd) can pose a serious risk to both natural systems and human health. In the current study, chia seed hydrogel (CSH) was converted into its succinate (CSH-S) and Na-salt (CSH-Na) and evaluated to remove Cd(II) from deionized (DW) and groundwater (HGW). The FTIR and solid-sate CP/MAS C-13 NMR spectroscopic analyses confirmed the formation of CSH-S and CSH-Na. The TGA analysis indicated that the CSH-Na is thermally more stable than CSH. The SEM images revealed the rough and porous surface of CSH before and after chemical modification. The Langmuir isothermal and the pseudo-second-order kinetics models provided the best fit for the Cd(II) adsorption data. Following interaction with Cd(II), the presence of a Cd(II) peak in CSH-Na after loading Cd(II) onto it was shown by EDX. The negative values of thermodynamic triplets, i.e., Delta G degrees, Delta H degrees, and Delta S degrees indicated that the Cd(II) adsorption process was exothermic and spontaneous in nature. The potential of CSH-Na for metal removal using a binary combination of Cd(II)-Ni(II) was demonstrated by competitive experiments. Additionally, CSH-Na appeared regenerable and could be used repeatedly for a number of cycles before being discarded. Concludingly, succinate-modified CSH could be a better adsorbent material in remediating Cd(II) from contaminated water as compared to other structurally related chemically modified adsorbents.
A key interest in contemporary nanoscience is the development of multifunctional nano catalysts that combine a high catalytic activity with environmental and biomedical interests. In this report, we describe the synthesis of bimetallic Fe8-Cu2 nanoparticles engineered on silica (Fe8-Cu2@SiO2) through a simple impregnation-reduction procedure. The structural characterization (UV-Vis DRS, FTIR, XRD, SEM, EDX, and TGA) was used to determine the uniform dispersibility of nanoparticles (2-10 nm), the presence of strong bonds between Fe-O-Si and Cu-O-Si, and improved absorption at visible light. Catalytic studies showed very high activity in the face of formic acid dehydrogenation, with the full conversion being obtained in 4.16 min at 65 degrees C with a hundred percent selectivity of H2 and a turnover rate of 6170.85 h- 1. Its kinetics were first-order, and the activation energy was 51.031 kJ mol- 1, indicating efficient catalytic dynamics. Fe8-Cu2@SiO2 was shown to be a better photocatalyst used as a degradation catalyst of Levofloxacin (LEV) under visible light, with over 80 percent degradation efficiency. The catalyst had a high stability and was not leached by metals or structurally collapsed even after five reuse cycles, which is a factor that determines its high stability. The overall outcomes of these experiments make Fe8-Cu2@SiO2 a strong, inexpensive, and versatile catalyst that has potential applications in hydrogen evolution and degradation of pharmaceuticals. The analysis offers a long-term solution to the linking of both energy and environmental remediation on a single catalytic platform.
Hydrogen is increasingly viewed as a carbon-neutral fuel with exceptional energy density. Among liquid organic hydrogen carriers (LOHCs), formic acid (FA) offers high volumetric hydrogen density and safety, yet its efficient dehydrogenation over inexpensive noble-metal catalysts remains challenging. Here, we report the design of a sulphonamide 3-polyvinylpyrrolidone (PVP 4) engineered Ag nanoparticles (AgNPs) as an Ag nanocatalyst (AgNC-5) for the selective dehydrogenation of HCOOH under mild conditions. The ligand is synthesized and characterized using GC-MS, FT-IR, UV-Vis, and 1H/13C NMR spectroscopy. It functions as an electronic lever, inducing charge redistribution across the Ag surface and generating catalytically active Ag delta+ sites that stabilize formate intermediates, while adjacent Ag-0 sites facilitate CH activation and hydride formation. This synergistic Ag+/Ag-0 redox interplay enables rapid and highly selective (>99.5 %) H-2 evolution with a turnover frequency (TOF) of 4969 h(-1) at 353 K and pH 4 within 8 min. The spectroscopic and microscopic analyses (UV-Vis, FT-IR, TGA, SEM, EDX, HR-TEM, DLS, and zeta potential) confirm the formation of well-dispersed AgNPs with strong ligand-metal interaction. Notably, the catalyst maintains high stability over five successive catalytic cycles, emphasizing its durability. This study establishes ligand-induced electronic tuning as a powerful strategy for transforming inexpensive metals into efficient nanocatalysts for H-2 generation.