Reactive Blue-222 (RB-222) is resistant to biodegradation because of its complex molecular structure and high chemical stability, so conventional wastewater treatment is largely ineffective at removing it. In this study, a NiCo2O4/ZIF-8 nanocomposite was fabricated via a ZIF-67-templated synthesis of NiCo2O4 nanorods followed by in-situ growth of ZIF-8. This structural design aims to address limitations in light absorption, charge recombination, and surface accessibility. Structural and surface characterization (XRD, FTIR, FE-SEM/EDX, XPS and BET) indicates the successful integration of spinel NiCo2O4 with the porous ZIF-8 framework, resulting in approximately six-fold increase in surface area (377.86 m2 g− 1) compared to pristine NiCo2O4. Optical analysis revealed enhanced visible-light absorption with an effective bandgap of 1.88 eV for the composite. Under natural visible light irradiation, the optimized 10 wt
Sustainability, affordability and instant reproducible responses are urgently targeted for quality control of drug analyses. Synergistic antimicrobial combination of a cephalosporin and an antiprotozoal in a single pill, is much convenient and manoeuvrable. Earlier chromatographic attempts of mixture analysis are reported. Herein, the first green spectrophotometric assay of pharmaceutical formulation of two antibiotics is done simultaneously; Cefuroxime Axetil and Ornidazole. The fixed dose combination is determined without prior separation. Q-Absorbance Isosbestic point methodology, coupled with first derivative photometric analysis, are applied for drugs’ assay in synthetic binary mixtures of different concentration ratios. Validation in regard to international council for harmonization is confirmed prior to methods’ application to laboratory prepared tablets. Limits of quantitation reached down to 1.509 µg mL⁻¹ (CFUR-X at the isosbestic point), 2.094 µg mL⁻¹ (ORNI at the isosbestic point), and 2.364 µg mL⁻¹ (ORNI by first derivative). The proposed techniques, when compared statistically with the reported HPLC method, declared insignificant differences. As an environmental obligation, the proposed method’s greenness was compared to the reported HPLC and HPTLC procedures using Analytical Eco-Scale and AGREE metrics. The first spectrophotometric simultaneous assay of CFUR-X and ORNI via isosbestic as well as 1D shows higher greenness scores preceding the previous chromatographic ones, which assures ecofriendly, simple and applicable analysis.
Stimulus-responsive foam stabilizers are highly desirable for enhanced oil recovery (EOR) applications, yet the development of renewable, dual-responsive systems with controllable performance remains challenging. Herein, we report a series of cellulose nanocrystal-g-poly(2-(dimethylamino)ethyl methacrylate) (CNC-g-PDMAEMA) copolymers synthesized via a “grafting-from” free radical polymerization. This copolymer exhibits intrinsic dual responsiveness to pH and temperature; reversible CO₂-triggered foam regulation is an indirect effect originating from CO₂-mediated pH shift instead of an independent stimulus. The grafting density and molecular weight of PDMAEMA side chains increase monotonically with the feeding ratio, as confirmed by GPC, XPS, and TGA. The copolymers exhibit tunable surface activity, with the lowest surface tension achieved at pH = 5 due to full protonation of tertiary amine groups. The lower critical solution temperature decreases with increasing pH and PDMAEMA content, enabling precise thermal switching. Foam stability tests demonstrate that higher grafting density (fw ≥ 8.0 wt
A new series of quinoline-based 1,4-disubstituted 1,2,3-triazole derivatives was designed and synthesized using 2-chloroquinoline-3-carbaldehyde as a key precursor. The target molecules were successfully synthesized through copper(I)-catalyzed azide–alkyne cycloaddition (CuAAC) by coupling terminal alkynes with various aryl azides, which are generated through diazotization of corresponding anilines. All synthesized compounds were comprehensively characterized using appropriate spectroscopic techniques such as FTIR, 1H NMR, 13C NMR, DEPT-135, and HRMS. Single crystal X-ray diffraction (SC-XRD) analysis of compound 9b confirmed its molecular structure and revealed a triclinic crystal lattice system with the space group P1. The photophysical properties of the synthesized derivatives were studied through UV–visible absorption and fluorescence emission spectroscopy. In addition, Density functional theory (DFT) calculations were performed to optimize molecular geometries and to elucidate their electronic properties using frontier molecular orbital (HOMO–LUMO) analysis and molecular electrostatic potential (MEP) mapping. Molecular docking studies against the Mycobacterium tuberculosis target enzyme lanosterol 14α-demethylase (CYP51; PDB ID: 1E9X) revealed strong theoretical binding affinities for several derivatives, with compounds 9a (− 10.85 kcal/mol) and 9g (− 10.31 kcal/mol) exhibiting the most favorable interactions, along with low predicted inhibition constants.
Coal fly ash is an abundant industrial waste generated by coal-fired power plants and has potential as a low-cost catalyst support due to its porous structure and high silica and alumina content. In this study, coal fly ash was used as a support for sodium methoxide to prepare a fly-ash-supported heterogeneous alkaline catalyst for biodiesel production. Palm oil was transesterified with methanol under different methanol-to-oil molar ratios and catalyst concentrations, and the fuel properties of the resulting biodiesel were compared with those produced using a conventional homogeneous alkaline catalyst. The prepared catalyst was characterized by Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDS), and scanning electron microscopy (SEM) to evaluate the incorporation of sodium-containing alkaline species onto the coal fly ash support. The results showed that the methanol-to-oil molar ratio and catalyst concentration strongly affected fatty acid methyl ester formation and biodiesel quality. Within the experimental conditions investigated, the highest fatty acid methyl ester content (96.54
Crystal violet is a toxic cationic dye that poses substantial threats to aquatic biota and public health because of its persistence, bioaccumulation potential, and documented cytotoxic and carcinogenic effects. Efficient removal of this pollutant from contaminated water therefore remains an urgent environmental challenge. In this study, novel SrCO3/ZnO/MgO/C and SrCO3/ZnO/MgO/Sr(OH)2(H2O)/C nanocomposites were synthesized via a Pechini sol–gel route at 600 and 800 °C to yield SZM600 and SZM800, respectively. The two calcination temperatures were selected to examine how thermal treatment controls phase development, crystallinity, surface chemistry, pore structure, morphology, and adsorption performance. XRD confirmed the coexistence of crystalline oxide and carbonate phases, with average crystallite sizes of 69.38 nm for SZM600 and 81.72 nm for SZM800, while the calculated crystallinity increased from 76.4
The present study describes the development of four complementary UV spectrophotometric approaches for the simultaneous quantification of paracetamol (PM) and flupirtine maleate (FU) in combined tablet dosage forms exhibiting extensive spectral overlap. Three ratio spectrum-based methods, namely ratio difference (RD), mean centering (MC), and ratio derivative spectroscopy (RDS), together with a chemometric principal component regression (PCR) model developed using R programming, were investigated to provide simple, rapid, and economical alternatives to chromatographic methods. The developed methods effectively resolved the overlapping spectra of PM and FU without prior separation and were successfully applied to the analysis of laboratory-prepared mixtures and commercial tablet formulations. The resolving capability of the MC and RDS methods was further verified through spectral purity assessment using the spectral contrast angle (cos θ) and spectral ratio factor (SRF). The proposed methods were validated in accordance with ICH Q2(R2) guidelines and demonstrated satisfactory specificity, linearity, accuracy, precision, robustness, and assay performance over the investigated concentration ranges. Statistical comparison with a validated HPLC reference method using Student’s t-test and F-test confirmed that no statistically significant differences existed between the proposed methods and the reference method at the 95
The current research study focuses on the construction of effective zinc oxide/tin dioxide (ZnO/SnO2) nanocomposites The synthesized nanocomposites were subsequently implemented as photocatalyst materials for the elimination of toxic alizarine yellow R (AYR) in aqueous solution under visible light. The synthesis of ZnO/SnO2 nanocomposite photocatalyst was carried out via hydrothermal method combined with ultrasonic-assisted calcination with some modifications. Various analytical methods, such as XRD, SEM-EDS, XPS, and UV-DRS analysis, validated the effective fabrication of the nanocomposites. The findings exhibited the enhanced elimination of AYR with 98.07
Manganese Dioxide (MnO2) nanoparticles were incorporated into a Polyacrylamide/Polyvinyl Alcohol (PAM/PVA) polymer blend via solution casting to investigate the influence of MnO2 content (0.1, 0.5 and 1.0 wt
A portable electrochemical sensing platform was developed for the determination of guadipyr (GUA) in agri-environmental and food matrices as a sustainable alternative to conventional chromatographic methods. To the best of our knowledge, this is the first electrochemical sensor reported for GUA monitoring. The sensing interface was fabricated using a carbon paste electrode modified with multi-walled carbon nanotubes (MWCNTs) and aluminum oxide nanoparticles (Al₂O₃-NPs) synthesized from recycled aluminum foil waste, integrating waste-valorization principles into sensor fabrication. Structural and electrochemical characterization confirmed the successful construction of a highly active nanocomposite interface with enhanced conductivity and charge-transfer properties. The electrochemical behavior of GUA was investigated by cyclic voltammetry and differential pulse voltammetry, revealing a well-defined irreversible cathodic peak at − 0.68 V (CV) and − 0.67 V (DPV) in Britton–Robinson buffer (BRB) (pH 5.0), corresponding to the reduction of the nitro group. Under optimized conditions, the proposed sensor exhibited a linear response over the concentration range of 0.5–35 µM with a detection limit of 0.067 µM. The method was successfully applied for GUA determination in tomato, river water, irrigation water, and soil samples using matrix-matched calibration, providing satisfactory recoveries and high precision. Sustainability assessment using MA, CFA, NQS, and SAMI metrics confirmed the eco-friendly nature of the method. The developed platform offers a rapid, low-cost, and field-deployable strategy for routine GUA monitoring.
A method for separating four main phenylethanoid glycosides (PhGs) from the extract of Cistanche tubulosa using Sephadex LH-20 gel chromatography combined with common filler octadecylsilane-bonded silica (ODS) gel column chromatography was established. The optimal preparation process parameters were determined through medium-pressure preparative chromatography using Cistanche tubulosa as the raw material. Four PhG monomers were successfully separated and purified. The optimal process parameters were as follows: a sample concentration of 100 mg/mL, a sample flow rate of 4 mL/min, a sample volume of 10 mL, an eluent with a volume fraction of 20
Swedish snus is a smokeless tobacco product (STP) associated with potentially reduced health risks compared to conventional cigarettes, due in large part to the absence of high toxicant levels generated by combustion. In 2019 and renewed in 2024, the US Food and Drug Administration has granted modified risk tobacco product (MRTP) status to eight Premarket Tobacco Application (PMTA) authorised General snus products, pointing to the viability of Swedish snus as reduced risk alternatives for adults who would otherwise continue to smoke. Oral nicotine pouches (ONPs) are similar to snus but differ by being tobacco-free (containing nicotine but not tobacco leaf thereby suggesting that exclusive ONP use may present less health risks than smoking cigarettes and comparable or even less risk than using snus. The aim of this study was to conduct a comprehensive analysis of toxicant levels in ONPs compared with Swedish snus. Using standard and verified methods, 132 analytes were measured in 11 commercial ONPs (including nine Velo products), a non-commercial, unflavoured zero-nicotine content ONP, and two snus products (1S4 reference snus and a commercial snus) to better understand each product’s toxicant profile. In total, the contents of 70 analytes were not quantifiable in any of the analysed ONPs or snus. A higher number of analytes were present at quantifiable levels in snus (n = 58) than in ONPs (n = 47) on a per-pouch basis. Of the 43 analytes that were above the detection limit in both product types, 15 analytes were quantifiable only in snus, and four were quantifiable only in some ONPs. In most tests, the ONPs contained lower levels of analytes (> 90
Water pollution by synthetic dyes represents a serious environmental challenge, requiring efficient and sustainable treatment methods. This study develops a novel nanocomposite hydrogel based on xanthan gum grafted with poly(acrylamide-co-itaconic acid-co-acrylic acid) and reinforced with titanium dioxide nanoparticles (XG-g-P(AAm-IA-AAc)/TiO₂) for malachite green (MG) removal. The material was synthesized via free radical graft copolymerization and characterized by FT-IR, XRD, FE-SEM, TGA, and BET analyses, confirming successful grafting and anatase TiO₂ incorporation. Surface area increased markedly from 0.22 to 8.19 m² g⁻¹ after TiO₂ addition. Batch adsorption experiments achieved 99
The present study aimed to develop and validate a robust, stability-indicating RP-HPLC method for the simultaneous determination of Rizatriptan Benzoate and Meloxicam using an Analytical Quality by Design approach integrated with green analytical principles. A central composite design is used to evaluate critical method variables, such as flow rate and the percentage of organic phase. Separation was achieved on a Shimpack C18 column (250 × 4.6 mm, 5 μm) using methanol and 0.1
S. aureus is one of the most important bacteria associated with human diseases. UDP-N-acetylglucosamine 1-carboxyethylene transferase (MurA) is an important enzyme involved in the synthesis of peptidoglycan in bacterial cell walls. The crystal structure of MurA from S. aureus has not been published. In this study, we used AlphaFold 3 to predict the structure of the MurA protein derived from S. aureus. The MurA-UNAG complex structure model from S. aureus was constructed through prediction of the active site and molecular docking. Molecular dynamics simulation was performed to refine and optimize the MurA–UNAG complex structure model obtained from molecular docking. This optimized structure was used for virtual screening. We identified compound X14 (4-chloro-3- (5- (2,4-dioxo-3- (2-oxo-2- (o-toluidine) ethyl) thiazolidine-5-ylidene) methyl) uran-2-ylbenzoic acid) as a MurA inhibitior (IC50 = 20.41 ± 1.10 µM) via molecular docking, MMGBSA and the MurA inhibition activity assay. Notably, we confirmed that compound X14 has significant structural differences from known MurA inhibitors and represents a novel MurA inhibitor through the Tanimoto coefficient. The molecular dynamics simulation revealed a possible binding mode between compound X14 and MurA. In addition, our research also indicated that compound X14 has good safety for human cells (HepG2, IC50 > 100 µM). In summary, this study not only constructed the MurA–UNAG complex structure model, but also used it for virtual screening and discovered a new MurA. These studies provide new ideas and methods for the development of drugs.
The recently introduced cefepime–enmetazobactam (CEF–ENM) combination requires reliable analytical methods for pharmaceutical quality control and proof-of-concept bioanalytical evaluation. Existing methods are predominantly chromatographic and rely on large volumes of organic solvents, costly instrumentation, and high energy consumption. In this work, a UV spectrophotometric approach integrated with chemometric analysis was established for the simultaneous quantification of CEF and ENM in pharmaceutical formulations and processed post-extraction-fortified human plasma. Calibration samples were prepared according to the Brereton multilevel experimental design, whereas an independent external validation set was constructed using the Maximin Distance Design (MMD) algorithm. The analytical performance of six chemometric models (CLS, PCR, PLS, GA-PLS, FA-PLS, and MCR-ALS) was evaluated to resolve the severe spectral overlap between both analytes. Matrix-specific calibration models were developed for processed plasma samples. The developed models showed excellent analytical performance, with MCR-ALS providing the highest predictive accuracy and robustness. Sustainability was comparatively evaluated using the integrated Multi-color Assessment (MA) Tool together with complementary greenness metrics. The proposed method demonstrated superior overall sustainability compared with previously reported chromatographic methods while maintaining reliable quantitative performance. The proposed approach offers a rapid, cost-effective, and environmentally sustainable alternative for routine pharmaceutical quality control and proof-of-concept evaluation in processed post-extraction-fortified human plasma. Further comprehensive bioanalytical validation is warranted to support routine clinical application.
The present study illustrated the construction, characterization, and application of a novel tungsten oxide nanoparticle (WO2NPs) based sensors for sensitive adsorptive differential pulse voltammetric quantification of dronedarone (DRO) in dosage forms and biological samples. The content of the WO2NPs was optimized with full characterization of the surface morphology and the electroanalytical features of the fabricated sensors. At pH 2, DRO molecule recorded an irreversible oxidation peak at 1.08 V following adsorption-controlled mechanism. The molecular orbital calculations and electroanalytical studies sustained the electrooxidation of the nitrogen atom (N5) through the transfer of two-electron/two-proton reaction. Calibration graphs showed linear dynamic range covering the DRO concentration ranged from 0.010 to 2.772 µgmL− 1, with LOD value 0.0031 µgmL− 1. The developed WO2NPs based voltammetric sensor has been successfully applied for the quantification of DRO in biological and pharmaceutical samples. The outcomes were contrasted with the previously reported analytical methods, with the advantages of acceptable performance, wide linear range, and low LOD value. The green assessment of the method acknowledged the environmental friendliness, with the minimal waste generation.
Bacterial resistance to currently available antibiotics underscores the urgent necessity for the innovation of novel anti-bacterial agents characterised by distinct mechanisms of action. In the current study, a series of dihydropyrano [2,3-d]carbonitriles and 4 H-pyran-3-carbonitrile/carboxylate derivatives, featuring ether-linked symmetrical and unsymmetrical bis-heterocyclic frameworks, were synthesised and subsequently subjected to a thorough assessment of their anti-bacterial efficacy against selected bacterial strains. In this regard, a highly efficient and environmentally sustainable one-pot procedure was devised utilising 4,4′-oxydibenzaldehyde, malononitrile, and active methylene compounds (including Meldrum’s acid, diethyl malonate, and 2,4-pentanedione) in ethanol, employing PEG-400 as a green catalytic agent. This methodology yielded symmetrical and unsymmetrical bis-heterocyclic systems through the Michael reaction interconnected via a diphenyl ether core in commendable yields under mild experimental conditions. Spectroscopic analyses confirmed the structures of the synthesised compounds. Several derivatives exhibited promising anti-bacterial and anti-oxidant activity, and the anti-bacterial potential was further validated through MIC and MBC determination. MIC and MBC evaluation suggest moderate anti-bacterial potential and predominantly bacteriostatic behavior against E. coli and B. subtilis strains. A molecular docking study against the membrane protein of E. coli (E. coli K12) revealed compound 8a showing the highest binding affinity, correlating with its high anti-bacterial activity. The pharmacokinetics, drug-likeness and physicochemical properties were estimated by SwissADME software.
Two-dimensional (2D) materials, such as tungsten disulfide (WS2) and graphene oxide (GO), have garnered significant attention. This is due to their unique physicochemical properties and potential applications in catalysis, electronics, and phototherapy. In this study, we report the synthesis and characterization of WS2 nanosheets, GO nanosheets, and a novel WS2-GO nanocomposite (NC). The NC was prepared via a simple wet-chemical method, which is low-cost and versatile, ensuring uniform dispersion and strong interfacial interactions between the WS2 and GO nanosheets. Functional group identification was done by Fourier Transform Infrared Spectroscopy (FT-IR), while structural and morphological analysis was done using X-Ray Diffraction (XRD), Field Emission Scanning Electron Microscopy (FE-SEM), and Transmission Electron Microscopy (TEM). Additionally, Energy Dispersive X-ray Spectroscopy (EDX) verified a homogeneous elemental distribution. FT-IR spectra of the NC reveal characteristic bands for carboxyl, hydroxyl, and alkoxy groups from GO, as well as W-S and S-S vibrational modes from WS2. XRD analysis confirms the crystalline nature of WS2-GO NC, displaying the characteristic GO peak alongside distinct diffraction peaks corresponding to the hexagonal phase of WS2, which verifies the successful formation of the hybrid. SEM and TEM imaging visually confirm the integration of WS2 onto the wrinkled GO surface with minimal aggregation and high crystallinity, as supported by selected area electron diffraction (SAED). Furthermore, the WS2-GO NC exhibits intensified ultraviolet absorption and broadened, quenched excitonic transitions in the visible range, indicating interfacial electronic coupling and efficient charge transfer. Together, these results demonstrate that the WS2-GO NC retains the functional properties of both components, making it a promising candidate for next-generation energy storage, catalysis, and biomedical applications.
The concentrations of Pb(II), Cd(II), and Ni(II) ions in the groundwater (GW) of the Sargodha region of Pakistan are significantly higher than the WHO and US EPA standards, and this could be among the major contributors to the increased prevalence of diseases in the population of this region. Therefore, in this study, an eco-friendly and renewable adsorptive filtration system was fabricated. Glucoxylan (GX) from chia seeds was extracted and cross-linked with citric acid (CA, 5
