BMC Chemistry最新文献

{"title":"Synthesis and characterization of ZnxNi1−xFe2O4/TiO2 nanocomposite for thymol blue dye removal","authors":"Christen Tharwat,&nbsp;Omar A. Fouad,&nbsp;E. Girgis,&nbsp;Gehad G. Mohamed,&nbsp;Mohamed M. S. Wahsh","doi":"10.1186/s13065-026-01834-w","DOIUrl":"10.1186/s13065-026-01834-w","url":null,"abstract":"<div><p>Hazardous organic pollutants, especially synthetic dyes, have been released into aquatic ecosystems more quickly as a result of rapid industrialization, posing serious dangers to the environment and public health. To cure harmful dyes, we created new nanocomposites alloys with different concentrations in this way using co-precipitate technique. Zn_xNi_1−xFe₂O₄ prepared using a modified template free technique showed an excellent dye removal efficiency of Thymol blue. Nanocomposites as Zn_xNi_1−xFe₂O₄, and TiO₂; long used in dye removal purposes, have problems in their recyclability and production cost on large scale. However, we overcame these problems through the prepared nanocomposite, thus allowing low cost, controlled synthesis of these nanomaterials. In order to better understand the ability of Zn_xNi_1−xFe₂O₄/TiO₂ (x = 0.0, 0.1, 0.2, 0.3, 0.4, and 0.5) nanoparticles prepared by co-precipitation method to photodegrade Thymol Blue dye, a systematic analysis of their structural, micro-structural, surface area, hydrophilicity, and magnetic properties was conducted. The prepared Ni_xZn_1−xFe₂O₄ &amp; Ni_xZn_1−xFe₂O₄/TiO₂ were successfully examined using XRD, AFM, TEM, BET, hydrophilicity, VSM, and UV–Vis spectrometry. At optimum conditions, the fabricated Zn_xNi_1−xFe₂O₄/TiO₂ nanocomposite was efficient for degrading thymol blue dye in aqueous media; the percentage degradation was obtained up to 70% within 120 min. just for Zn_0.8Ni_0.2Fe₂O₄/TiO₂. The results demonstrate a regulated, inexpensive synthesis pathway for high-performance nanomaterials with excellent recyclability, providing a scalable industrial wastewater treatment option.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"20 1","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13065-026-01834-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148466083","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Greenness, blueness, and whiteness profiles of HPTLC method for the simultaneous assay of tenofovir and emtricitabine in fixed-dose combination dosage forms","authors":"Prawez Alam,&nbsp;Faiyaz Shakeel,&nbsp;Mohammed H. Alqarni,&nbsp;Ahmed I. Foudah,&nbsp;Tariq M. Aljarba,&nbsp;Akil Ahmad,&nbsp;Wadah Osman","doi":"10.1186/s13065-026-01875-1","DOIUrl":"10.1186/s13065-026-01875-1","url":null,"abstract":"<div><p>The literature does not have any sustainable high-performance thin-layer chromatographic (HPTLC) methods for concurrently identifying tenofovir (TEN) and emtricitabine (ECT). Therefore, the proposed study develops and verifies a sustainable reverse-phase HPTLC methodology for determining TEN and ECT concurrently in their fixed-dose combination (FDC) products. The wavelength at which TEN and ECT were simultaneously identified was 255 nm. A 70:30 v/v binary mixture of ethanol and water served as the green development system. The method was validated for accuracy, precision, robustness, sensitivity, and specificity according to ICH guidelines. The validated method was applied for the simultaneous determination of TEN and ECT in commercial FDC tablets. The method’s greenness, blueness, and whiteness profiles were evaluated using eight different tools: “the analytical eco-scale (AES), chloroform toxicity (ChlorTox), analytical GREEnness (AGREE), modified green analytical procedure index (MoGAPI), complex MoGAPI, blue applicability grade index (BAGI), carbon footprint reduction index (CaFRI), and click analytical chemistry index (CACI)”. For both medications, the devised technique was linear in the range of 25–1000 ng/band. In addition, the created approach was proven to be accurate (% recoveries = 99.12–100.70 for TEN and 100.57-101.83 for ECT), precise (% RSD = 0.85–0.99 for TEN and 0.88–0.97 for ECT), sensitive (LOD = 8.50 ng/band for TEN and 8.39 ng/band for ECT, LOQ = 25.51 ng/band for TEN and 25.19 ng/band for ECT), and robust (% RSD = 0.82–0.86 for TEN and 0.94–0.99 for ECT). Using the current method, the amount of TEN in commercial FDC tablet brands A and B was 98.58 ± 1.21% and 101.13 ± 1.30%, respectively. The amount of ECT in FDC brands A and B was 99.82 ± 1.29 and 100.64 ± 1.37%, respectively. The findings of all the greenness, blueness, and whitening tools, such as AES (93), ChlorTox (0.72 g), AGREE (0.77), MoGAPI (85), complex MoGAPI (90), BAGI (85), CaFRI (89), and CACI (87), demonstrated that the current method had the notably sustainable profiles. The greenness parameters of present method were better than reported HPTLC approaches. The findings of the study suggested that the recommended method may be applied to precisely evaluate TEN and ECT in commercial formulations.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"20 1","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13065-026-01875-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148454269","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effective removal of toxic methylene blue dye using ZnO/nanolignin composite: kinetic, isotherm and thermodynamic study","authors":"Abdelrahman A. Badawy,&nbsp;Suzan Saber,&nbsp;Mona H. Abdel Rehim","doi":"10.1186/s13065-026-01854-6","DOIUrl":"10.1186/s13065-026-01854-6","url":null,"abstract":"<div><p>Lignin nanoparticles (LNp) were prepared by the solvent-non-solvent method from lignin extracted from bagasse. Investigation of particle size revealed that the obtained LNp has size of 282 nm. However, it was used as a bio-template during the synthesis of ZnO to form ZnO/LNp. Characterization of the formed materials was performed by FTIR, XRD, and XPS. A scanning electron microscope is used to study the morphology of both LNp and ZnO/LNp. The prepared nanocomposite is tested as an adsorbent for cationic dye from contaminated water. The results confirmed the efficiency of the nanocomposite to remove methylene blue (MB) from water as ZnO/LNp removed nearly 97% of MB while LNp showed only 93% dye removal. Moreover, the investigation of adsorption kinetics confirmed that the adsorption can be described by pseudo-second-order mechanism. The uptake of MB was increased with elevated temperature, indicating that the adsorption of MB is an endothermic process, and Freundlich isotherm is more applicable than Langmuir isotherm. The low value of Δ<i>H</i>^o was found to be lower than 40 kJ/mol. Moreover, Dubinin–Radushkevich (D-R) relations are utilized to determine the nature of adsorption. The parameters of D-R isotherm revealed that the value of E = 3.9 and 4.9 (kJ/mol) which indicated that poor correlation coefficient and confirming that the MB adsorption process occurs <i>via</i> a physical adsorption mechanism.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"20 1","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13065-026-01854-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148454227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Eco-friendly spectrophotometric determination of moxifloxacin in pharmaceutical dosage form via ion-pair complexation with erythrosine B","authors":"Tamer Z. Attia,&nbsp;Asmaa Mohamed Abbas,&nbsp;Deena A. M. Nour El-Deen,&nbsp;Mahmoud A. Omar","doi":"10.1186/s13065-026-01879-x","DOIUrl":"10.1186/s13065-026-01879-x","url":null,"abstract":"<div><p>A rapid, sensitive, and eco-friendly spectrophotometric method was developed for the quantitative determination of moxifloxacin (MOX) based on ion-pair formation with erythrosine B (EB). The resulting pink-colored ion pair complex exhibited a maximum absorbance at 554 nm. Systematic optimization of reaction parameters, including buffer pH, dye concentration, and diluent selection, ensured maximum sensitivity and reproducibility. The method demonstrated excellent linearity within the concentration range of 0.2–1.2 µg mL^− 1 (<i>r</i> = 0.9990), with low detection and quantification limits (LOD = 0.05 µg mL^− 1, LOQ = 0.15 µg mL^− 1). The calculated molar absorptivity (3.41 × 10⁵ L·mol⁻¹·cm⁻¹) and Sandell’s sensitivity (1.18 × 10⁻³ µg·cm⁻² per 0.001 absorbance unit) confirmed the high analytical sensitivity of the proposed method. Validation in accordance with ICH guidelines demonstrated excellent accuracy (mean recoveries of 99.43–99.77%), precision (RSD &lt; 1.7%), and robustness against minor variations in experimental conditions. Application of the proposed method to commercial eye-drop formulation produced recoveries ranging from 99.1% to 100.46%. Statistical comparison with reference method revealed no significant differences (<i>t-</i> value = 1.008, <i>F-</i> value = 1.124). These findings establish the proposed assay as equivalent in accuracy and precision to established techniques, while offering practical simplicity, cost-effectiveness, and environmental compatibility. By eliminating organic solvents and minimizing reagent consumption, the method aligns with green chemistry principles and provides a practical, sustainable tool for routine pharmaceutical quality control.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"20 1","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13065-026-01879-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148454250","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The adsorption behavior and inhibitive action of hydrocotyle umbellata leaf extract on corrosion of API5L L360 carbon steel in 0.5 M H2SO4 solution","authors":"Mariem M. Motawea,&nbsp;Nora S. Al-Subaie,&nbsp;Ayman A. O. Younes,&nbsp;Mai M. A. H. Shanab,&nbsp;Zizi E. Ahmed,&nbsp;Rasha A. Abdelhadi,&nbsp;Amira M. Abou Zeid","doi":"10.1186/s13065-026-01881-3","DOIUrl":"10.1186/s13065-026-01881-3","url":null,"abstract":"<div><p>In the present work, Hydrocotyle umbellata leaf extract (HUL) was used as a potential corrosion inhibitor for API 5L L360 carbon steel (L360CS) in a 0.5 M sulfuric acid medium. The study employed various techniques, including chemical and electrochemical measurements, surface morphological analyses, and computational methods such as Density Functional Theory (DFT), to investigate the adsorption behavior and corrosion inhibition efficiency of HUL on the L360CS surface in an acidic environment. Using the Weight Loss (WL) method, increasing the temperature from 25 to 45 °C at the same 180 ppm concentration resulted in efficiencies of 93.5% and 88.2%, respectively. Activation energy (E^*_a) calculation using the Arrhenius equation shows an increase in activation energy upon adding the HUL extract: 0.5 M H₂SO₄ (E*a = 27.2 kJ mol^-1), and the maximum activation energy (E*a = 58.9 kJ mol^-1) was observed for the 180 ppm HUL extract in the acid medium. The adsorption behavior has been analyzed, revealing a predominantly physical interaction, with Gibbs free energy calculations (ΔG°) of – 24.6 kJ mol⁻¹ at 25 °C. The inhibitory action is attributed to the spontaneous physicochemical adsorption of the HUL onto the L360CS surface, a process that conforms to the Langmuir adsorption isotherm. Using EIS measurements, a maximum percent inhibitory effectiveness of 95.9% was achieved for 180 mg/L solutions. The polarization curves showed that the HUL extract acts as a mixed-type inhibitor. The study employed various techniques, including chemical and electrochemical measurements and computational methods such as Density Functional Theory (DFT), to investigate the adsorption behavior and corrosion inhibition efficiency of HUL on the L360CS surface in an acidic environment. A probable inhibitive mechanism is proposed from the viewpoint of adsorption theory.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"20 1","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13440000/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148434792","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recovery of bioactive compounds from citrus by-products: advances in conventional and innovative extraction approaches, bioavailability, and applications","authors":"Semanur Yildiz,&nbsp;Dılhun Keriman Arserim-Uçar,&nbsp;Ismail Tontul,&nbsp;Kubra Sultan Ozdemir,&nbsp;Bengi Hakguder,&nbsp;Josipa Krezić,&nbsp;Alev Yuksel Aydar,&nbsp;Faten M. Ibrahim,&nbsp;Senem Kamiloglu","doi":"10.1186/s13065-026-01880-4","DOIUrl":"10.1186/s13065-026-01880-4","url":null,"abstract":"<div><p>Citrus processing generates large amounts of by-products—mainly peels, pomace, and seeds—that are abundant in valuable bioactive compounds such as polyphenols, carotenoids, essential oils, pectin, and vitamin C. Efficient recovery of these compounds not only supports the production of functional ingredients but also aligns with circular economy and zero-waste objectives. Traditional extraction methods, including maceration, Soxhlet extraction, hydrodistillation, and solvent extraction, remain widely used but often require long processing times, consume significant energy and solvents, and can degrade heat-sensitive molecules. In recent years, greener and more innovative technologies—such as ultrasound-assisted, microwave-assisted, enzyme-assisted, supercritical fluid, pressurized liquid, pulsed electric fields, and deep eutectic solvent extractions—have emerged as sustainable alternatives, achieving higher yields and better compound stability with lower environmental impact. This review provides a critical comparison of conventional and emerging extraction methods, evaluating their efficiency, selectivity, scalability, and environmental performance. It also explores how these techniques influence the bioavailability and bioaccessibility of extracted compounds. Furthermore, potential applications of citrus by-product extracts in the food, nutraceutical, cosmetic, and agricultural sectors are discussed. Finally, the review addresses key technological, economic, and regulatory challenges related to industrial implementation and highlights future opportunities for integrating these extraction strategies into circular bioeconomy models.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"20 1","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13065-026-01880-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148443659","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhancement of solubility and antioxidant activity of quercetin in choline-aspartate ionic liquid: spectroscopic, volumetric and kinetic insights","authors":"Vibek Srichandan,&nbsp;Sanghamitra Pradhan,&nbsp;Malabika Talukdar","doi":"10.1186/s13065-026-01883-1","DOIUrl":"10.1186/s13065-026-01883-1","url":null,"abstract":"<div><p>Quercetin is a biologically active flavonoid which has well established antioxidant properties, but its bioavailability and functional applicability are constrained due to its extremely poor aqueous solubility. In the present study, a biocompatible [Ch][Asp] IL was synthesized through a one pot metathesis neutralization route and investigated as a green functional medium for enhancing the solubility and scavenging activity of quercetin. FTIR, NMR UV-Vis and fluorescence spectroscopy confirmed the successful synthesis of the IL and extensive hydrogen bonding interactions with quercetin. Volumetric investigations of the aqueous IL demonstrated pronounced ion-solvent interactions and structure making behaviour. Solubility studies revealed a concentration dependent enhancement of solubility of quercetin in 0.1% and 0.2% v/v IL: water than in pure water. DPPH radical scavenging studies demonstrated the improved antioxidant efficiency of quercetin in the IL medium. Kinetic investigation revealed an accelerated radical neutralization behaviour thus highlighting the active role of [Ch][Asp] in modulating antioxidant process. These findings establish the [Ch][Asp] IL as a promising green excipient for enhancing the physicochemical performance of poorly soluble bioactive compounds.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"20 1","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13065-026-01883-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148434795","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Spectroscopic and elemental evaluation of Pb(II), Cu(II), and Hg(II) binding by salvia officinalis L. leaf extract.","authors":"Huri Tasci, Melek Gul, Ebru Batı Ay, Beril Kocaman","doi":"10.1186/s13065-026-01878-y","DOIUrl":"https://doi.org/10.1186/s13065-026-01878-y","url":null,"abstract":"<p><p>Heavy metal contamination remains a major environmental concern because toxic ions such as Pb(II), Cu(II), and Hg(II) persist in ecosystems and pose serious risks to the environment and human health. Plant-derived extracts rich in phenolic acids, flavonoids, and other heteroatom-containing phytochemicals offer a promising natural matrix for metal binding through hydroxyl, carbonyl, and C-O-containing functional groups. This study presents a comparative matrix-level evaluation of interactions of Pb(II), Cu(II), and Hg(II) with Salvia officinalis L. leaf extract by integrating UV-Vis spectroscopic stoichiometry, apparent binding analysis, pH- and temperature-dependent spectral responses, EDTA-assisted reversibility, FTIR functional group assignments, and ICP-OES-based elemental validation. UV-Vis data were evaluated using Job's plot analysis, while apparent binding parameters were estimated using the extended Benesi-Hildebrand and Scatchard models, based on the observed stoichiometric behaviour. Pb(II) and Hg(II) exhibited apparent M₂L-type interaction patterns, whereas Cu(II) showed a 1:1 binding mode. Among the tested ions, Hg(II) produced the strongest spectroscopic binding response, followed by Pb(II) and Cu(II). The metal-extract interactions were strongly affected by pH and temperature, with more pronounced spectral responses under mildly alkaline conditions and at temperatures above 45 °C. EDTA addition indicated that the binding process was at least partially reversible, suggesting the potential regeneration of the extract-based metal-binding system. ICP-OES analysis supported the incorporation of metals into the extract-derived complexes, whereas changes in FTIR spectra indicated the involvement of hydroxyl, carbonyl, and C-O groups in metal coordination. Overall, the findings demonstrate the metal-dependent binding behavior of S. officinalis leaf extract and provide a useful spectroscopic and elemental basis for further studies on plant-derived metal-binding systems.</p>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":" ","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148417793","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Trace-level quantification of levofloxacin NDSRIs using LC–TQ–MS/MS: a multi-metric sustainability and integrated toxicological–analytical framework","authors":"Srinivas Nakka,&nbsp;Vishnu Murthy Marisetti,&nbsp;Surendra Babu Manabolu Surya,&nbsp;Hemanth Kumar Chanduluru","doi":"10.1186/s13065-026-01872-4","DOIUrl":"10.1186/s13065-026-01872-4","url":null,"abstract":"<div><p>Nitrosamine drug substance-related impurities (NDSRIs) have emerged as a critical regulatory concern due to their potential genotoxicity at trace levels, necessitating highly sensitive and scientifically robust analytical methodologies. Despite the widespread use of levofloxacin (LOX), no validated analytical method has been reported for the simultaneous determination of LOX-specific NDSRIs. Although several LC–MS/MS methods have recently been reported for NDSRIs associated with other pharmaceutical compounds, these studies primarily focused on compound-specific impurity monitoring and did not address levofloxacin-derived NDSRIs. Furthermore, most reported methodologies emphasize analytical sensitivity without integrating toxicological risk assessment and sustainability evaluation. In this study, a highly sensitive and selective LC–TQ–MS/MS method was developed and validated for the simultaneous trace-level quantification of N-nitroso methyl piperazine (N-NMP) and N-nitroso desmethyl levofloxacin (N-NDLOX) in LOX drug substance and tablet formulations. A systematic risk-based analytical development strategy was employed to define the Analytical Target Profile (ATP) and guide method development and optimization. Structural confirmation of the synthesized NDSRIs was achieved using advanced spectroscopic techniques, including ¹H–¹⁵N HMBC NMR. The developed method demonstrated excellent sensitivity, with limits of quantification of 0.6 ng mL⁻¹ for N-NMP and 1.0 ng mL⁻¹ for N-NDLOX, enabling reliable detection well below the proposed interim control limits. The method exhibited strong linearity (R² &gt; 0.998), high accuracy (93–100%), and robust precision (CV &lt; 10%), confirming its suitability for routine quality control applications. To support regulatory risk assessment, complementary (Q)-SAR analysis and carcinogenic potency categorization (CPCA) were integrated to establish scientifically justified interim control limits for LOX-associated NDSRIs. The sustainability of the developed method was further evaluated using a multi-metric framework incorporating AGREE, GAPI, RAPI, and the Environmental, Performance, and Practicality Index (EPPI). The results demonstrated a balanced analytical profile, with moderate environmental impact (AGREE score: 0.62; EI: 75.8%) and high practical applicability (PPI: 87.0%), resulting in an overall EPPI score of 81.4%. This study presents a unified analytical–toxicological–sustainability framework for NDSRI assessment, representing a shift from conventional method development toward performance-driven sustainable analytical design. The proposed method is suitable for regulatory implementation and provides a scalable strategy for controlling structurally complex nitrosamine impurities in pharmaceutical systems.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"20 1","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13637225/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148417788","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Regioselective electrosynthesis of pyrazolo[3,4-b]quinolin-5-one derivatives","authors":"Eman O. Osman,&nbsp;Amr M. Mahmoud,&nbsp;Hala B. El-Nassan","doi":"10.1186/s13065-026-01849-3","DOIUrl":"10.1186/s13065-026-01849-3","url":null,"abstract":"<div><p>A highly efficient and regioselective method had been reported for the synthesis of pyrazoloquinoline derivatives. The current work studied the reaction of 3-indolylpyrazole, dimedone, and various aldehydes under electrochemical conditions. The various factors controlling electrochemical reactions were examined and optimized, including reaction time, temperature, current, solvent, type of electrodes, and supporting electrolytes. The scope of the reaction was investigated using different types of aldehydes. The reaction yielded exclusively pyrazolo[3,4-<i>b</i>]quinolin-5-ones in high yields and mild reaction conditions. The structure of the products was confirmed by ¹H-NMR and 2D-NMR spectra. The reaction mechanism was followed up using cyclic voltammetry. Compared to the conventional heating method, the electrochemical method proved to be advantageous in terms of simple reaction conditions, short reaction time, higher yield, and eliminating the need for basic catalysis.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"20 1","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13065-026-01849-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148417730","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}