Scopus Research — Basmat Amal Mahmoud Said

This work explores the effect of BaWO4 nanoparticles (NPs) with varying concentrations (0, 1, 2, and 3 wt%) on the structural, surface/volume energy loss functions, and linear/non-linear optical properties of polystyrene/BaWO4 nanocomposites. The XRD pattern indicates the formation of pure BaWO4 NPs with a tetragonal structure. SEM image revealed the uniform scroll-like shape of the synthesized BaWO4. The direct bandgap energy reduced from 3.88 eV in the PS film to 3.85 eV, 3.73 eV, and 3.71 eV with increasing BaWO4 loading. Meanwhile, the Urbach energy for PS film was 1.25 eV, which rose to 1.38, 1.43, and 1.54 eV with enhanced BaWO4 contents. In addition, the refractive index of the PS film boosted after the incorporation of BaWO4 with a ratio of 1% and 2%wt. However, it dropped after the addition of 3% of the BaWO4. The optical conductivity and electrical conductivity of pristine PS improves after incorporating BaWO4 into the PS matrix, attributable to an increase in charge transfer and a corresponding rise in the absorption coefficient. Moreover, optical parameter such as, the oscillator energy (E0) and the dispersion energy (Ed), relaxation time (τ), N/m* were concluded. The oscillation frequency (ωP) value was also found to be 0.13× 1013 sec−1 for PS polymer, which increased to 0.23× 1013 sec−1 and 0.34 × 1013 sec−1 for PS/1%BaWO4 and PS/2%BaWO4 films, respectively, and then declined to 0.08× 1013 sec−1 for PS/3%BaWO4 film. The non-linear refractive index (n2), linear optical susceptibility (χ(1)), and third-order non-linear optical susceptibility (χ(3)) for the pristine PS and all PS/BaWO4 nanocomposite films were derived. These results confirm that the PS/1% BaWO4 and PS/2% BaWO4 samples are suitable for utilization in photonic devices, anti-reflective coatings, and waveguide technology, while, the PS/3% BaWO4 sample is employed in applications that depend on the rapid transmission of optical signals, such as optical communications. © The Author(s) 2025

In this paper, transparent polyvinyl butyral/antimony oxide (PVB/Sb2O3) nanocomposites with good UV shielding effectiveness are prepared. Solution casting was used to produce PVB/Sb2O3 nanocomposites with different Sb2O3 percentages. XRD and FTIR confirmed the interaction between PVB and Sb2O3. SEM and EDS mapping revealed that Sb2O3 nanoparticles with an irregular polygonal structure have a Sb/O ratio of ∼0.44. The integration of Sb2O3 resulted in a measurable alteration in PVB’s linear and nonlinear optical characteristics. For example, the reduction in transmittance of PVB was detected upon increasing the nanofiller content. Increasing the Sb2O3 ratio resulted in a reduction of the energy band gap of PVB, attributed to changes in localized energy states and defect levels within the host PVB’s band gap. Increasing the amount of Sb2O3 causes a rise in the refractive index, dispersion energy, static refractive index, and dielectric constant of nanocomposites. The results show that Sb2O3 can alter the optical properties of PVB, enabling it to be utilized in various applications, including UV protection, optical cables, anti-reflective films, and optoelectronic devices. © The Author(s) 2025

The recent approval of the nasal spray combination of mometasone (MOM) and olopatadine (OLO) presents a significant analytical challenge, as only a single reported method exists for its determination, deviating from eco-friendly practices. This study addresses this critical gap by pioneering the application of machine learning techniques to develop robust UV spectrophotometric approach for the simultaneous quantification of MOM and OLO, along with two genotoxic impurities: 4-dimethylamino pyridine (DAP) and methyl para-toluene sulfonate (MTS). By simultaneously determining these highly concerning genotoxic impurities and active pharmaceutical ingredients, this method underscores its paramount significance in upholding rigorous pharmaceutical quality standards and safeguarding patient safety. Applying the multilevel-multifactor experimental design, the calibration set was meticulously chosen at five different concentrations, yielding 25 calibration mixtures with central levels of 4, 46.5, 2.5, and 3 µg/mL for MOM, OLA, MTS, and DAP, respectively. The key innovation lies in the strategic implementation of the Kennard-Stone Clustering Algorithm to create a robust validation set of thirteen mixtures, resolving the limitations of reported chemometric methods’ random data splitting. This approach ensures unbiased evaluation across the full concentration space, improving the method’s reliability and sustainability. The robustness of this approach was rigorously tested using five distinct chemometric models: principal component regression, classical least squares, partial least squares, genetic algorithm-partial least squares, and multivariate curve resolution-alternating least squares, demonstrating its broad applicability across diverse modeling techniques. All models successfully determined all components with excellent recovery, low bias-corrected prediction, and adequate limits of detection. The Greenness Index Spider Charts and the Green Solvents Selection Tool were used to choose environmentally conscious solvents. A comprehensive sustainability assessment employed six state-of-the-art tools, including the national environmental method index, complementary green analytical procedure index, analytical greenness metric, blue applicability grade index, carbon footprint analysis, and the red-green-blue 12 metrics. Favorable results across all metrics affirmed the method’s eco-friendliness, real-world applicability, and cost-effectiveness, supporting sustainable development goals in pharmaceutical quality control processes. © The Author(s) 2025.

Herein, ZnFe2O4 nanoparticles (ZFO-NPs) were synthesized via the sol-gel method and doped into the PVC matrix by solution casting technique. This study aimed to examine the effects of PVC/ZnFe2O4 nanocomposites’ structural properties, dielectric constants, and linear/nonlinear optical characteristics at different concentrations of ZFO-NPs (0, 1, 2, and 3 wt.%). XRD pattern proved that the ZFO-NPs have a cubic crystal structure with a lattice constant of 8.5 Å and crystallite size of 39.97 nm. SEM image and EDX spectra were used to illustrate the surface morphology and elemental compositions of ZFO-NPs. The optical bandgap declined from 4.14 eV for the undoped-PVC to 4.05, 3.94, and 3.88 eV for PVC+1% ZFO, PVC+ 2% ZFO, and PVC+3% ZFO films, respectively. While Urbach’s energy (EU) rose from 0.82 eV to 1.77, 1.88, and 2.04 eV, respectively. It is found that the values of the free carrier increase after the introduction of the nano-ZFO from 2.61 × 1014 cm−3 for the undoped-PVC polymer to 4.15 × 1019, 5.78 × 1019, and 6.21 × 1019 for PVC+1% ZFO, PVC+ 2% ZFO, and PVC+3% ZFO, respectively. Furthermore, the optical mobility increases from 8.73 × 10−4 c.s.kg−1 to 2.26 c.s.kg−1. In contrast, the optical resistivity of the pristine PVC is 0.275, which decreases to 3.1 × 10−9, 4.78 × 10−10, and 2.72 × 10−9 c−2.s−1kg−1 for the PVC+1% ZFO, PVC+ 2% ZFO, and PVC+3% ZFO, respectively. Moreover, the effect of ZFO-NPs on the nonlinear properties of PVC/ZnFe2O4 nanocomposites was addressed. Finally, the linear and nonlinear optical characteristics of doped-PVC with ZnFe2O4 NPs make them suitable for electronic devices. © The Author(s) 2024.

This study introduces an innovative framework for comprehensive sustainability assessment of analytical methods, applied to the simultaneous determination of acebrophylline, montelukast, fexofenadine, and the genotoxic impurity bromobenzene. A newly developed micellar ultra-performance liquid chromatography (UPLC) method, employing a Kinetex HILIC column and an eco-friendly mobile phase of sodium dodecyl sulfate and 18 % 1-pentanol, offers reduced organic solvent use while achieving robust separation. Additionally, we report the first implementation of a suite of green spectrophotometric methods (direct zero-order, ratio subtraction, second and third derivative, and double-divisor ratio derivative) using only water as solvent for this four-component system. All methods demonstrated excellent analytical performance with appropriate linearity ranges (r2 ≥ 0.999), recovery (98.5–101.5 %), and precision (RSD ≤2 %). The sustainability profile was assessed through a novel multi-dimensional approach integrating environmental impact (NEMI, ComplexGAPI, AGREE), practical applicability (BAGI), innovation potential (VIGI), and overall sustainability (RGB12). Carbon footprint analysis showed minimal environmental impact (0.002 and 0.039 kg CO2 equivalent per sample for spectrophotometric and UPLC methods, respectively). The newly introduced Need, Quality, Sustainability (NQS) index quantified holistic sustainability, with the proposed methods achieving superior scores across all metrics compared to existing techniques. The NQS Index assessment confirmed strong alignment with SDGs, including SDGs 3 (Good Health), 6 (Clean Water), 9 (Innovation), 12 (Responsible Consumption), 13 (Climate Action), 14 (Life Below Water), and 15 (Life on Land). This integrated assessment framework advances analytical methodology evaluation beyond traditional performance metrics, introducing a holistic approach to quantify and visualize multiple sustainability dimensions in microanalytical chemistry. © 2025 Elsevier B.V.

The dual targeting of EGFR and HER2 is an established anticancer strategy. A novel series including two distinct scaffolds, A (chalcone-based compounds, 4a-n) and B (pyrazoline-based compounds, 5a-n), was developed and synthesized. The antiproliferative efficacy of 4a-n and 5a-n was examined against a panel of four cancer cell lines. The findings indicated that pyrazoline derivatives 5a-n exhibited more efficacy than chalcone compounds 4a-n. Compounds 4n, 5d, and 5g were identified as the most effective antiproliferative derivatives. These compounds were further investigated as dual EGFR/Her2 inhibitors. Compound 5d inhibited EGFR-TK and HER2 significantly, with IC50 values of 0.126 and 0.061 μM, respectively. Moreover, compound 5d can induce a percentage of pre-G1 apoptosis by 78.53% in cell cycle analysis and cause early apoptosis with necrosis percent of 5.28. Docking and MD simulation illustrated the significant cytotoxic activity of the 5d compound and how it can be a promising scaffold with anticancer activity. © 2025 The Royal Society of Chemistry.

Nanocomposite films composed of polyvinyl butyral (PVB) and Bi2WO6 were produced through solution casting. The goal of this investigation was to examine the effects of different Bi2WO6 concentrations (0%, 2%, and 4% wt.) on the linear/non-linear optical and optoelectrical properties, as well as the structure and dispersion of films of PVB/Bi2WO6 nanocomposite. The direct band gap Eg1 value falls from 5.1 eV to 3.83 eV with the progressive increase in Bi2WO6 content from 0% to 4% wt., while indirect band gap Eg2 decreased from 4.1 eV to 2.89 eV. Conversely, the PVB + 4% Bi2WO6 nanocomposite increased Urbach’s energy (EU) from 1.00 eV for pure PVB to 1.97 eV. Moreover, our research has documented the impact of different concentrations of Bi2WO6 on a range of optical properties, including the refractive index (n), extinction coefficient (k), and other pertinent parameters. Utilizing the real and imaginary components of the dielectric constants εr and εi, an investigation was carried out into the dielectrics’ behavior and the optoelectrical parameters’ calculation. Furthermore, investigations were performed on the linear optical susceptibility, the non-linear refractive index, and the third-order non-linear optical susceptibility concerning the concentrations of Bi2WO6. In addition, the results indicated that varying Bi2WO6 concentrations substantially affect the oscillator strength, average oscillator wavelength, and optical conductivity. The nanocomposite films of PVB/Bi2WO6 concentrations exhibited favorable associations between their optoelectrical and non-linear/linear optical parameters, rendering them viable candidates for implementation in flexible electronic devices and radiation shielding. © The Author(s) 2024.

This investigation examines the structural, thermal, mechanical, and optical characteristics of PVA/Cd1-xNixO nanocomposite films fabricated via casting evaporation. XRD analysis confirmed PVA's characteristic (101) peak at 19.5° and CdO nanoparticle formation, with increasing Ni content altering lattice parameters and yielding crystallite sizes of 11–15.5 nm. Thermal decomposition occurred between 270 and 370 °C, with differential thermogravimetric analysis indicating more pronounced effects at higher Ni doping levels. FTIR spectroscopy elucidated molecular interactions within the nanocomposite matrix. Mechanical testing demonstrated altered properties upon nanoparticle incorporation, with the PVA/Cd0.99Ni0.01O sample exhibiting the most significant changes. Scanning electron microscopy visualized nanoparticle distribution across the polymer surface. Optical characterization demonstrated Ni-induced red shifts in band gap energies, with direct/indirect optical gaps decreasing from 1.89/4.87 eV (PVA/Cd0.99Ni0.01O) to 0.914/4.66 eV (PVA/Cd0.70Ni0.30O). This comprehensive characterization provides crucial insights into the nanocomposites' potential for optoelectronic applications. © 2025 Elsevier B.V.

This study presents an innovative, sustainable approach for the simultaneous quantification of glycopyrronium (2–14 μg/mL), indacaterol (6–18 μg/mL), and mometasone (4–20 μg/mL) in a recently approved fixed-dose breezhaler formulations and biological fluids, along with two genotoxic impurities: methyl para-toluene sulfonate (2–10 μg/mL) and 4-dimethylamino pyridine (2–10 μg/mL). We developed robust UV spectrophotometric machine-learning chemometric models to address the limitations of existing chromatographic methods. The calibration set was carefully selected at five concentration levels using the multilevel-multifactor experimental design, resulting in 25 calibration mixtures. The Kennard-Stone Clustering Algorithm was employed to construct a representative 13-mixture validation set, overcoming biases associated with random data splitting. Five chemometric models (CLS, PCR, PLS, GA-PLS, and MCR-ALS) were rigorously evaluated, with MCR-ALS demonstrating superior performance. This model achieved 98–102 % recovery percentages for all analytes, with low root mean square error of calibration and prediction of (RMSEC: 0.0225 to 0.5246) and (RMSEP: 0.0039 to 0.4226). The method exhibited excellent relative root mean square error of prediction (RRMSEP: 0.1306 to 0.8517 %), a negligible bias-corrected mean square error of prediction (BCMSEP: −0.0073 to 0.0025), and good sensitivity (LOD: 0.022 to 0.893 μg/mL) across all analytes. Green solvents were selected using the Green Solvents Selection Tool and Greenness Index Spider Charts. The method's sustainability was comprehensively evaluated using seven state-of-the-art assessment tools. This approach not only offers a green alternative to traditional chromatographic methods but also ensures high accuracy in quantifying both active ingredients and genotoxic impurities, thereby enhancing pharmaceutical quality control and patient safety. © 2024 Elsevier B.V.

This study presents a new method for simultaneously quantifying a complex anti-migraine formulation containing five components (ergotamine, propyphenazone, caffeine, camylofin, and mecloxamine) using UV spectrophotometry and chemometric models. The formulation presents analytical challenges due to the wide variation in component concentrations (ERG: PRO: CAF: CAM: MEC ratio of 0.075:20:8:5:4) and highly overlapping UV spectra. To create a comprehensive validation dataset, the Kennard-Stone Clustering Algorithm was used to address the limitations of arbitrary data partitioning in chemometric methods. Three different chemometric models were evaluated: Classical Least Squares (CLS), Partial Least Squares (PLS), and Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS). Among these, MCR-ALS demonstrated excellent performance, achieving recovery values of 98–102% for all components, accompanied by minimal root mean square errors of calibration (0.072–0.378) and prediction (0.077–0.404). Moreover, the model exhibited high accuracy, with relative errors ranging from 1.936 to 3.121%, bias-corrected mean square errors between 0.074 and 0.389, and a good sensitivity (0.2097–1.2898 μg mL−1) for all components. The Elliptical Joint Confidence Region analysis further confirmed the predictive performance of the models, with MCR-ALS consistently showing the smallest ellipses closest to the ideal point (slope = 1, intercept = 0) for most analytes, indicating superior accuracy and precision. The approach's sustainability was rigorously assessed using six advanced metrics, validating its environmental friendliness, economic viability, and practical application. This approach effectively resolves complex pharmaceutical formulations, contributing to sustainable development objectives in quality control processes. © The Author(s) 2024.

The present study introduces a novel eletriptan hydrobromide (ELE) sensor based on carbonaceous nanostructures for sensitive voltametric determination of ELE in various pharmaceutical and biological samples. Comprehensive and deep optimization studies were carried out concerning the electrode matrix composition, modification mode, the effect of pH, and other electroanalytical parameters. Surface functionalization of the electrode surface with multiwall carbon nanotubes (MWCNTs) exhibited the highest electrochemical performance with a sharp oxidation peak at about 0.75 V in BR buffer pH 3. Based on the theoretical molecular orbital calculation studies on the ELE molecule and electroanalytical findings, the electrooxidation of ELE undergoes through oxidation of the amine nitrogen atom (N 2) with the transfer of one electron/proton in the electrode reaction. High sensitivity with linear calibration curve were reported within the ELE concentration range from 0.027 to 1.1 µg mL−1 with limit of detection 0.008 µg mL-1. The recorded sensitivity of the proposed sensors encouraged their applications for monitoring of ELE residues in pharmaceutical formulation and biological samples. ©2024 National Information and Documentation Center (NIDOC)