Exploring ionic behavior: conductance studies of L-glutamic acid in aqueous D-sorbitol across temperature gradients
In this paper molecular interactions of L-glutamic acid (Glu) in aqueous D-sorbitol (D-SOR) are analyzed by measuring electrical conductivity in the broad temperature range of 293.15-313.15 K at ambient pressure. The density and viscosity data were also measured experimentally required to explore the derived conductometric properties. Meanwhile, the molar conductance ([Formula: see text], limiting molar conductance[Formula: see text], Walden product ([Formula: see text]), ion association constants ([Formula: see text]) and activation energy ([Formula: see text] of ion association are derived and discussed in the light of ion-ion and ion-solvent interactions. The Kraus-Bray model was used to analyze the limiting molar conductance ([Formula: see text]) of the solutions. For the mixtures under study, the increased [Formula: see text] values for Glu in aqueous D-SOR compared to pure water suggest a synergistic interaction. As D-SOR concentration increases, [Formula: see text] of Glu decreases due to stronger solute-cosolute interactions and reduced ion dissociation. Glu functions as a structure creator in water, according to the [Formula: see text] finding. However, in aqueous D-SOR, increasing temperature and D-SOR concentration cause [Formula: see text] to drop, indicating structure-breaking behavior. Numerous energy and environmental applications may benefit from an investigation of the conductometric properties of Glu and D-SOR in aqueous solutions.
Synthesis and thermo-oxidative kinetic analysis of cellulose microfibers from palm leaves using ammonia fiber expansion
Global urbanization is driving high volumes of agricultural and food waste, creating an urgent need for sustainable and effective technologies to convert biomass into valuable products. This study explores the conversion of palm waste into cellulose microfibers (CMF) using Ammonia Fiber Expansion (AFEX) followed by acid hydrolysis, with a focus on structural characterization, thermal stability, and reaction kinetics compared to raw material. The resulting CMF exhibited elongated, uniform fibers with smooth surfaces, with lengths of 0.1-3.0 mm, and diameters of 5-20 μm. X-ray analysis revealed a significant increase in the carbon/oxygen ratio, from 1.8 ± 0.2 in raw palm leaves to 2.7 ± 0.3 in CMF, indicating enhanced carbon content due to dehydration and reduction of carbonyl groups. FTIR spectra confirmed effective removal of lignin and hemicellulose after treatment, further supporting this chemical transformation. Thermal analysis demonstrated that CMF possesses higher heat content than raw leaves, suggesting its potential for energy-related applications. TGA showed that CMF decomposes at slightly higher temperatures, indicating improved thermal stability. Isoconversional kinetic analysis using the Vyazovkin Nonlinear (NLN) and Kissinger-Akahira-Sunose (KAS) methods revealed variable effective activation energies (E), consistent with a complex degradation mechanism. Overall, CMF displayed lower E values than raw biomass, especially at early and mid-reaction stages. Kinetic modeling at 50% conversion showed a markedly higher pre-exponential factor (A) for raw leaves (2.8 × 10¹³ s⁻¹) compared to CMF (7.4 × 10⁹ s⁻¹), reflecting structural alterations from treatment. Both raw and CMF samples exhibited negative activation entropy (ΔS) values of - 237.7 and - 240.3 J mol⁻¹ K⁻¹, respectively, suggesting greater molecular order in activated complexes. The enthalpy of activation (ΔH) was 149.7 ± 3.9 kJ mol⁻¹ for raw leaves versus 120.4 ± 3.9 kJ mol⁻¹ for CMF, Gibbs free energy of activation (ΔG) was slightly higher for raw leaves (297.0 ± 3.9 kJ mol⁻¹) compared to CMF (269.4 ± 3.9 kJ mol⁻¹), primarily due to differences in ΔH. These kinetic parameters are crucial for any future implementation of palm leaves conversion into CMF at the industrial scale.
Employing intrinsic fluorone-dye fluorescence in a quenching-based ("on-off") strategy for diltiazem determination in tablets and capsules
A novel green spectrofluorometric method was developed for the quantification of diltiazem hydrochloride (DLZ), a benzothiazepine-class calcium channel blocker with vasodilatory properties. The assay exploits the rapid fluorescence quenching of Acid Red 87-a fluorone-based dye-upon complexation with DLZ in acidic medium (pH 3.8). This "on-off" mechanism enables selective DLZ detection by measuring the decrease in Acid Red 87 native fluorescence intensity (λ/λ = 302.5/545.8 nm). Key parameters (pH, dye concentration, buffer volume) were systematically optimized, yielding a linear response over 50-1100 ng/mL (r² = 0.9991) with a detection limit of 15.5 ng/mL. The method was rigorously validated per ICH Q2(R1) guidelines, confirming precision (RSD < 2%), accuracy (99.76% % recovery), and robustness. It was successfully applied to analyze DLZ in pharmaceutical formulations (tablets/capsules) with no matrix interference, and the statistical comparison (t- and F-tests) showed no significant difference from the reference method. Critically, the procedure uses distilled water as the sole solvent, aligning with green chemistry principles while offering simplicity, cost-efficiency, and high-throughput potential.
Thermo-acoustic investigation on mixtures of Tetramethyl ammonium hydroxide and caffeine in aqueous medium with the goal to understand their mutual interactions
The present study explores, for the first time, the physicochemical and molecular interaction behaviour of tetramethylammonium hydroxide (TMAH)-caffeine (CAF) mixtures in aqueous medium. Caffeine (CAF) is a widely consumed central nervous system stimulant, and tetramethylammonium hydroxide (TMAH) is an industrially significant compound with known toxicological implications. Combination of these two solutes represents a novel system where ionic, hydrophobic, and hydrogen-bonding interactions coexist, providing unique insight into mixed solute behaviour and solvation dynamics in aqueous media. This work focuses on the physicochemical, acoustic and thermodynamic properties of aqueous TMAH solutions in the presence of varying concentrations of CAF over a range of temperatures (293.15-313.15 K). Acoustic measurements, including ultrasonic velocity, and density were utilized to compute key thermodynamic parameters such as compressibility, relaxation strength, specific heat capacity, acoustic impedance, internal pressure, and isobaric expansion coefficient. The results reveal complex ion-solvent and ion-cosolute interactions, highlighting significant structural reorganization within the solution matrix. Observations such as decreasing compressibility and relaxation strength with concentration and temperature suggest stronger intermolecular forces, while variations in partial molar compressibility and transfer parameters indicate hydration shell modification due to CAF's presence. The findings offer valuable insights into hydration dynamics and solvation behaviour, with practical relevance to drug delivery, material design, and toxicity evaluation. This work advances understanding of solute-cosolute interactions, supporting applications in pharmaceutical formulations and chemical process development.
Optimizing and characterization of titanium dioxide extracted from black sand using response surface methodology (RSM)
Titanium dioxide is used in different applications such as paints, plastics, paper, and water treatment. Various routes are applied for the recovery of TiO according to the available raw material. The aim of this work is the application of response surface methodology for optimizing the recovery of TiO from illeminite beach sand deposits (black sand, Kafr-El-Sheikh, Egypt) with high purity using sulfuric acid. Utilizing local raw material to obtain titanium dioxide with high purity for applications in paints and energy applications. Applying a simple method for separating iron, which is present in high weight% (49%). Application of the RSM approach in the extraction of titanium dioxide to determine the interaction of the studied parameters and determine the model relating them to the yield of titanium dioxide. characterizations of raw material are applied; X-ray fluorescence (XRF) indicates the chemical composition, and the weight% of titanium dioxide is 43%. The illeminite phase is confirmed by X-ray diffraction (XRD) of the raw material sample. The average particle size of illeminite powder is measured using screen analysis, and it is around 118 micrometers. Three selected parameters affecting the leaching of illeminite are studied using the Response Surface Methodology (RSM) technique: temperature (60-120℃), sulphuric acid concentration (4-12 M), and time (1-5 h). Maximum conversion (84%) is obtained at the optimum conditions predicted by the RSM model at Temperature (120 ℃), time 4.2 h, Concentration (12 M). The relation between the studied parameters and conversion is represented by a reduced cubic model with R = 0.973 and p-value = 0.0001, which confirms the accuracy of the model. The prepared titanium dioxide is separated from the filtrate solution by hydrolysis at 109 °C for 3 h, using EDTA as a complexation agent to capture the solvated iron. The hydrated titanium dioxide powder is dried, then calcinated at 500 °C for 3 h to produce titanium dioxide in an anatase phase. The prepared sample is examined using XRF, XRD, and SEM-EDX. 96.4% purity of titanium dioxide is formed; the XRD pattern of the examined sample confirmed the formation of the anatase phase. SEM images display that TiO has a uniform spherical morphology. The EDX spectrum shows that most of the sample is TiO. The average particle size of the prepared titanium dioxide using a particle size analyzer is about 78.82 nm.
Synthesis and characterizations of 4,6-dihydroxyisophthalohydrazide derivative for mitigation corrosion inhibition of low carbon steel in acidic medium
In the oil and gas industry, carbon steel is widely used but suffers from severe corrosion in acidic environments, particularly in the presence of CO₂ and H₂S. This study presents the synthesis and evaluation of a novel eco-friendly compound, 2,2'-(4,6-dihydroxyisophthaloyl) bis(N-phenylhydrazine-1-carbothioamide) (DICA), as an effective corrosion inhibitor for low-carbon steel in 0.5 M HCl solution. Structural characterization was confirmed through NMR, elemental analysis, and mass spectrometry. The corrosion inhibition performance was investigated using weight loss (WL), potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS). DICA demonstrated outstanding inhibition efficiency, reaching 91.41% at 300 ppm concentration and 298 K, indicating a strong concentration-dependent protective effect. Surface morphology analysis by SEM and AFM revealed a significant reduction in steel surface roughness and corrosion damage due to DICA adsorption. Complementary density functional theory (DFT) calculations and Monte Carlo simulations corroborated the mixed-mode adsorption mechanism involving both chemisorption and physisorption. These findings confirm the potential of DICA as a high-performance, environmentally benign inhibitor for protecting carbon steel in aggressive acidic media.
Validation of experimental and gradient boosting regressor model for predicting performance, combustion, emission, and biomedical implications of cerium oxide (CeO₂)-augmented B20 biodiesel blends derived from used temple oil
Investigating zeolite-infused MWCNTs/ZnO/CeO nanocomposites: photocatalytic efficiency
In this study, a range of photocatalysts, including zinc and cerium oxides, were developed using the precipitation technique, while impregnation was used to produce multiwalled CNTs with zinc oxide, multiwalled CNTs with zinc oxide/cerium oxides, and zeolite-based multiwalled CNTs with zinc oxide/cerium oxides. Advanced instruments, such as XRD, UV-Vis, and photoluminescence (PL) devices, were used to analyze the crystal structure, bandgap, and optical properties of each photocatalyst. Methylene blue, an organic contaminant, and sewage from Ethiopia's Bahir Dar cloth industry were used to assess the photocatalytic efficacy of both assisted and unassisted nanocomposites. Under visible light irradiation, the TZ (zeolite with MWCNTs/ZnO/CeO) demonstrated a higher degradation performance of MB dye than the T3 nanocomposite, attaining 93.71% and 83.21%, respectively. This implies that by increasing the adsorption capacity, zeolite greatly improves the composite's performance. The stability of the TZ in photocatalytic degradation was assessed, showing a 20.8% reduction after four consecutive runs, confirming the nanocomposite's good stability. Furthermore, the mentioned photocatalyst (TZ) demonstrated greater performance in the degradation of MB with approximately 94.12% compared to the sewage sample efficiency of 76.75%.
A benzylidene-amine scaffold as a colourimetric sensor for picric acid: computational studies and real-time applications using matchstick head powder
A series of simple and cost-effective benzylidene-amine appended probes (E)-4-((4-(allyloxy) benzylidene)amino)-N-phenyl aniline (L-1), (E)-N-phenyl-4-((2,3,4-trimethoxybenzylidene) amino)aniline (L-2), and (E)-4-((2-nitrobenzylidene)amino)-N-phenyl aniline (L-3) have been developed for the rapid detection of picric acid (PA) and explored for the same. Notably, L-3 showed no changes in its UV spectrum or colour upon interaction with PA. In contrast, when PA was added to L-1 and L-2, there were significant changes in absorption, resulting in distinct colour changes. Mole fraction analysis indicated a 1:1 ratio between the probes and PA. The detection limits for PA were impressively low, measuring 4.37 × 10 M for L-1 and 4.56 × 10 M for L-2. This demonstrates the effectiveness of these probes in detecting PA, even at very low concentrations. Importantly, this work marks the first application of benzylidene-amine probes for the detection of PA. The sensing studies were supported by theoretical analyses and calculations, which confirmed the selective detection of PA using matchstick head powder (MSPS) and a test kit based on paper strips. Additionally, smartphone-assisted detection using an RGB tool was successfully demonstrated.
Development of molecularly imprinted polymers for the removal of levofloxacin
The extensive use of antibiotics and their persistence in the environment make them emerging pollutants of global concern, posing serious risks to ecosystems and public health. Among them, the broad-spectrum fluoroquinolone antibiotic levofloxacin (LEV) is widely prescribed for bacterial infections and has frequently been detected in freshwater systems and environmental matrices. Its presence is linked to the development of antibiotic resistance and ecological toxicity, underscoring the urgent need for efficient removal strategies. In this study, levofloxacin-imprinted polymers (LEV-MIPs) were developed using a precipitation polymerisation method. A set of nine LEV-MIPs was synthesised using three solvent combinations: ethanol: acetonitrile, ethanol: dimethyl sulfoxide, and ethanol: carbon tetrachloride. Methacrylic acid (MAA) served as the functional monomer (1-3 mmol), ethylene glycol dimethacrylate (EGDMA) as the cross-linker (16 mmol), and azobisisobutyronitrile (AIBN) as the initiator (0.1 mmol). Among them, two formulations (LEV3-MIP and LEV6-MIP) demonstrated superior removal efficiency. Structural and thermal characterisation by FTIR, SEM/EDX, and TGA confirmed successful polymer synthesis, with surface analysis revealing spherical, monodispersed particles of ~ 1.5 μm. Batch adsorption assays showed removal efficiencies of 97.85% (LEV3-MIP) and 99.15% (LEV6-MIP) under optimised conditions (15 ppm initial concentration, 0.3 mg dosage, pH 7, and 90 min and 60 min contact time, respectively). Both polymers exhibited high imprinting factors (3.081 and 3.359) and excellent reusability, with minimal efficiency loss of only 2.7% and 2.09% after ten adsorption-desorption cycles. These results highlight the strong potential of LEV-MIPs as cost-effective, selective, and reusable materials for mitigating antibiotic pollution.
Novel synthetic strategy for aromatic ether coumarin derivatives and evaluation of anti-allergic potential
The study aimed to explore novel aromatic ether coumarins as potential anti-allergic lead compounds.
Point-of-care nano zinc oxide carbon paste sensor for non-invasive determination of clozapine in saliva samples
Clozapine (CLZ); an atypical antipsychotic drug, is well known to have a significant role in managing schizophrenic patients with substance use disorder (SUD). Unfortunately, many patients are deprived of CLZ benefits due to its limited prescription. This is based upon concerns regarding the critical side effects of CLZ in case of overdosing especially, with the lack of accessible therapeutic drug monitoring (TDM) tools. In this contribution, a simple, accurate and sensitive electrochemical method is proposed for CLZ assay in human saliva. Unlike previously reported methods for TDM of CLZ that depends on invasive matrices as plasma and urine, this method employs electrochemical approaches in exploring human saliva as a patient-friendly alternative for assessing CLZ. The proposed method employs differential pulse voltammetry (DPV) with a sensitive and selective Ag-doped ZnO nanoparticles based carbon paste electrode (CPE). The adopted electrochemical sensor has not been previously reported for CLZ determination, despite it offers enhanced sensitivity together with simple synthesis. The synthesized nanoparticles were characterized through Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDX). The developed sensor was optimized and validated as per FDA guidelines of bioanalytical methods. The linear range in saliva was 0.31-3.67 µmol/L and the lower limit of quantitation (LLOQ) was 0.31 µmol/L. The high reliability and applicability of the suggested method has strong potential to be integrated in a point-of-care testing (POCT) device to introduce more accessible TDM that enables smooth TDM of CLZ. Therefore, it opens pathways for broader and safe use of CLZ.
Oxidative degradation of alpha-tocopherol by reactive oxygen species, identifying products, and product anticancer activity
α-Tocopherol (α-TQ) is a potent antioxidant with diverse applications in the food and pharmaceutical industries. It is susceptible to oxidation by various reactive oxygen species (ROS). This study first identifies the oxidation product of α-tocopherol produced by either HO or HOCl, which could be formed in foods and biological systems. Second, the kinetic and mechanistic aspects of these oxidation reactions are characterized. Finally, the anticancer activity of α-TQ and its oxidation products was revealed. The direct oxidation product is α-tocopheryl quinone (α-TQQ), which dimerizes through an ether linkage and undergoes addition reactions. LC-MS/MS identified new products, primarily including positional and diastereoisomers of α-TQQ dimers resulting from HO and HOCl addition. A kinetic study demonstrated that the oxidation reaction is first-order for both α-TQ and HO or HOCl. The mechanism is proposed based on the identified products and kinetic behavior. The postulated mechanism also aligns with the reaction's UV-Vis spectra, including the formation of the hemiketal (242 nm) and α-TQQ (261 nm) intermediates, as well as the addition products of the α-TQQ dimer (265 nm). α-TQQ dimer products of HO oxidation reaction exhibited 1.7-fold (IC50 264.72 µM) and 2.0-fold (IC50 253.72 µM) higher cytotoxicity than that of α-TQ (IC50 448.45 and 496.53 µM) against breast (MCF-7) and prostate (PC-3) cancer cells, respectively. These results indicate that natural α-TQ and its oxidation products, when administered at a suitable dose, can express protection against various types of cancer.
Ultrasensitive, green molecularly-imprinted poly(o-phenylenediamine) sensor on pencil graphite for trace ertugliflozin quantification in plasma and tablets
This study presents an ultrasensitive electrochemical sensor aimed at the detection and quantification of ertugliflozin L-pyroglutamic acid (EGZ), an anti-diabetic agent, using molecularly imprinted polymer (MIP) technology. The sensor was fabricated by electropolymerizing o-phenylenediamine (o-PD) onto a pencil graphite electrode (PGE), with EGZ serving as the template molecule. The detection of EGZ was achieved through indirect sensing, where EGZ competes with the redox-active probe ferrocyanide/ferricyanide ([Fe (CN)₆]) for the binding sites of the MIP. The resulting electrical signal was measured using differential pulse voltammetry (DPV). The sensor demonstrated excellent sensitivity, with a linear response range from 1 × 10⁻¹² to 1 × 10⁻¹⁰ M and a limit of detection (LOD) of 6.3 × 10⁻¹⁴ M. A non-imprinted polymer (NIP) was prepared under the same electropolymerization conditions but without the inclusion of EGZ. The NIP sensor served as a control, and the imprinting factor (IF) was determined to be 6, confirming the success of the imprinting process and the formation of selective recognition sites. Characterization of the proposed sensor was conducted using cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), and scanning electron microscopy (SEM) coupled with energy-dispersive X-ray analysis (EDX). Additionally, the sensor successfully detected EGZ in spiked human plasma, demonstrating its practical applicability in complex biological samples. The environmental impact of the proposed method was assessed using the AGREE and GAPI green evaluation tools, which confirmed its environmentally friendly nature. Furthermore, the sensor exhibited high selectivity in the presence of commonly co-formulated drugs, such as sitagliptin and metformin, indicating its potential for pharmaceutical applications.
L-Glycine and L-leucine derived multifunctional ionic liquids for potential antibacterial applications: in-vitro and in-silico studies
Ionic liquids (ILs) have gained significant attention among material scientists for their versatile properties. Amino acid-based ionic liquids (AAILs) have the potential to be tailored for desired physicochemical properties due to their structural adaptability and unique attributes. Twenty-four distinct ILs were synthesized, containing multifunctional cations viz. 1-octyl pyridinium, 1-octyl-3-methylimidazolium, 1,3-dioctylimidazolium, Di-octyldi-butylammonium, Tetraoctylphosphonium, N, N, N', N'-Tetrakis-(2-hydroxyethyl)dioctyldiammonium, 1H-1,2,3-triazole, and 1-octyl-1,8-diazabicyclo(5.4.0)undec-7-enium, each with varied chain lengths. Whereas, bromide, glycinate, and leucinate were incorporated as counter-anionic species. These distinct ILs were characterized by FT-IR, H, and C-NMR spectroscopies and were systematically evaluated for anti-bacterial efficacy by agar well diffusion method against six potent bacterial strains. Both gram-positive as well as gram-negative types, namely Shigella dysenteria, Shigella boyydii, Staphylococcus aureus, Carbapenem-resistant Enterobacter baumannii, Escherichia coli, and Klebsiella pneumonia were tested. Remarkably strong antibacterial performance was observed across most of the synthesized ILs, particularly notable against gram-negative strains, signifying their potential as antibacterial agents. The good antibacterial performance of ILs was also validated by molecular docking, and a good agreement was found between computational and experimental studies. These findings open new avenues for the development of effective antibacterial agents based on ILs in infection control for individuals with disabilities.
Acid-promoted dehydroxylation coupling of aryl alcohols with 1,3-dicarbonyls and sulfonamides
The formation of C-C and C-N bonds is an effective means to construct functional complex molecules. Herein, the TsOH-promoted dehydroxylation coupling of diarylmethanols with 1,3-dicarbonyls and sulfonamides to afford a variety of N-alkylated1,3-dicarbonyls and sulfonamides was established with only HO as the byproduct. Differential 1,3-dicarbonyls and sulfonamides, including pharmaceutical molecules (sulfinpyrazone, phenylbutazone, mofebutazone, celecoxib, topiramate, valdecoxib) were compatible with this system to couple with alcohols in moderate to excellent yields. This method shows the merits of wide substrate scope and mild conditions.
Mechanism-informed identification of FDA-approved topoisomerase inhibitors disrupting SARS-CoV-2 nucleocapsid-RNA interactions
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) nucleocapsid protein (NP) interaction with viral RNA is vital for viral replication and immune evasion, making it an attractive target for antiviral development. Inspired by adenosine triphosphate (ATP)'s competitive inhibition of NP-RNA binding, we screened 121 FDA-approved ATP-competitive kinase inhibitors, identifying mitoxantrone (IC₅₀ = 1.22 µM) as a potent inhibitor. Considering its known topoisomerase inhibitory activity, we further screened 23 additional topoisomerase inhibitors, uncovering four active compounds-pixantrone (IC₅₀ = 5.67 µM), doxorubicin (IC₅₀ = 20.19 µM), epirubicin (IC₅₀ = 7.23 µM), and suramin (IC₅₀ = 0.44 µM). Biolayer interferometry (BLI) revealed distinct inhibition mechanisms: suramin bound directly to the NP C-terminal domain (CTD) with a K of 0.26 µM, whereas the other compounds primarily targeted RNA, with pixantrone showing the highest RNA affinity (K = 0.63 µM). Complementary molecular docking analyses supported these observations, indicating suramin's preference for NP binding and anthracycline derivatives engaging RNA. Our findings demonstrate the feasibility of a mechanism-informed repurposing strategy and identify FDA-approved topoisomerase inhibitors and suramin as valuable chemical starting points. Although these compounds are not directly suitable as antivirals due to toxicity concerns, they provide promising scaffolds for further optimization aimed at selective disruption of SARS-CoV-2 NP-RNA interactions.
Design and validation of a robust stability-indicating reversed-phase HPLC method for quantification of mesalamine in formulated drug products
A reliable and sensitive RP-HPLC method was developed and validated for the accurate quantification of mesalamine in bulk and formulated pharmaceutical products. The analysis was carried out on a C18 column (150 mm × 4.6 mm, 5 μm) using a mobile phase of methanol: water (60:40 v/v), with a flow rate of 0.8 mL/min, and UV detection at 230 nm. Methanol: water (50:50 v/v) was used as the diluent. The method demonstrated excellent linearity across the concentration range of 10-50 µg/mL (y = 173.53x - 2435.64, R² = 0.9992), high accuracy with recoveries between 99.05% and 99.25% (%RSD < 0.32%), and outstanding precision with intra- and inter-day %RSD values below 1%. Robustness was confirmed under slight method variations (%RSD < 2%), and LOD and LOQ were found to be 0.22 µg/mL and 0.68 µg/mL, respectively. Forced degradation studies under acidic, basic, oxidative, thermal, and photolytic stress confirmed the method's specificity and stability-indicating capability. Assay of a commercial mesalamine tablet (Mesacol, 800 mg label claim) showed a recovery of 99.91%, validating the method's applicability for routine quality control and regulatory compliance.
Exploring 1,3,4-oxadiazolyl sulfide derivatives as antidiabetic candidates: synthesis, antioxidant activity, SAR-study, molecular docking, and DFT-insights
1,3,4-Oxadiazoles are a vital class of heterocyclic compounds known for their diverse biological activities. In this study, a series of eight novel 1,3,4-oxadiazolyl sulfide derivatives 4a-h were synthesized and characterized using IR, NMR, and elemental analysis. The antioxidant activity of these derivatives was evaluated via DPPH and ABTS assays, revealing promising radical scavenging capabilities Compound 4 h emerged as the most potent antioxidant with SC values of 9.88 µM (ABTS) and 12.34 µM (DPPH), outperforming standard antioxidants surpassing standard antioxidants such as ascorbic acid (SC₅₀ = 23.92 µM) and gallic acid (SC₅₀ = 21.24 µM). The impact of electron-donating and electron-withdrawing substituents on activity was demonstrated through a comprehensive structure-activity relationship (SAR) study. Molecular docking against α-glucosidase (PDB: 3W37) validated the potential of these compounds as enzyme inhibitors, with docking scores ranging from - 8.59 to -9.81 kcal/mol and similar modes of binding. Insights into electronic properties were obtained through density functional theory (DFT) calculations, emphasizing that compound with the lowest HOMO-LUMO energy gaps (4b) exhibited higher polarizability and enhanced reactivity, which correlates with their biological antioxidant performance. This integrated study underscores the therapeutic potential of these derivatives as antioxidants and enzyme inhibitors, offering paths for further drug development.
Eco-friendly, stability-indicating micellar HPLC-UV method for simultaneous determination of clindamycin phosphate and adapalene in gel formulations
A rapid, accurate, sensitive, and eco-friendly micellar liquid chromatography method has been successfully developed and validated for the simultaneous determination of clindamycin and adapalene in their bulk forms and combined dosage gel formulations. The separation was performed on a BDS HYPERSIL C18 column (150 × 4.6 mm, 5 μm), employing a micellar mobile phase made up of 0.07 M sodium dodecyl sulfate, 0.3% triethylamine, 0.02 M orthophosphoric acid (pH adjusted to 3.0), and 14% isopropanol (v/v). Detection was carried out using UV at 210 nm. The method exhibited linearity in the ranges of 100-500 µg/mL for clindamycin phosphate and 10-50 µg/mL for adapalene, with detection limits of 13.4 µg/mL and 1.4 µg/mL, respectively. The developed method was effectively applied to the analysis of a laboratory-prepared co-formulated gel, yielding high recovery rates. The greenness of the method was further confirmed through assessment with the Green Analytical Procedure Index (GAPI). The method was also validated as a stability-indicating assay for clindamycin phosphate and adapalene under various stress conditions, demonstrating its robustness and applicability for routine quality control.
Rheological, mechanical, and cytotoxic properties of sustainable NR/glass fiber composites: prospects for advanced applications
Glass fiber is an inorganic reinforcement material widely used in rubber-based technological products. This study investigates the properties of natural rubber/glass fiber composites, focusing on their potential to enhance mechanical performance while reducing costs. A series of tests were conducted to evaluate the rheological, mechanical, swelling, and morphological characteristics of the investigated natural rubber composites. Quantitative analysis showed that the composition containing 16 phr glass fiber resulted in a 59.5% increase in tensile strength compared to composites filled with traditional fillers such as sodium bentonite, calcium carbonate, silica, and calcined kaolin. The composite also showed a significant boost in mechanical properties, with notable increases in modulus at 100% and 300% strain, strain energy, and a stronger Payne effect, which indicates strong interfacial adhesion, as confirmed by morphological analysis. Morphological analysis of fractured surfaces confirmed excellent adhesion between glass fiber and natural rubber. Notably, the natural rubber/16 phr glass fiber composite exhibited exceptional swelling resistance in toluene, with a quantifiable reduction in swelling compared to other composites. This makes it suitable for automotive interiors. Cytotoxicity tests verified that the material is non-toxic, supporting its use in human-related applications. These results suggest that glass fiber is a better and more sustainable reinforcing filler for enhancing the performance of rubber products in the automotive industry.
