BMC Chemistry最新文献

{"title":"Selenium nanoparticle loaded on PVA/chitosan biofilm synthesized from orange peels: antimicrobial and antioxidant properties for plum preservation","authors":"Hamza T. O. Abdelaziz,&nbsp;Eldin M. Seif Mohamed,&nbsp;Samir K. A. Younis,&nbsp;Nada Ahmed,&nbsp;Mary N. Michaeel,&nbsp;Samah H. Abu-Hussien,&nbsp;Ashraf Bakry,&nbsp;Naglaa M. Ebeed,&nbsp;Mohamed A. Nasser,&nbsp;Mohamed K. Abou El-Nasr,&nbsp;Mahmoud A. A. Ali,&nbsp;Bahaa Hemdan,&nbsp;Mahmoud Salah,&nbsp;Salwa M. El-Sayed","doi":"10.1186/s13065-025-01608-w","DOIUrl":"10.1186/s13065-025-01608-w","url":null,"abstract":"<div>\u0000 \u0000 <p>This study investigates the eco-friendly synthesis, characterization, and biological activity of selenium nanoparticles (SeNPs) incorporated into a polyvinyl alcohol/chitosan (PVA/CH) composite for antimicrobial, antioxidant, and food preservation applications. SeNPs were synthesized using orange peel extract as a reducing and stabilizing agent. Characterization through UV-Vis spectroscopy, FTIR, dynamic light scattering (DLS), TEM and zeta potential analysis confirmed the formation of stable, well-dispersed SeNPs. The antimicrobial activity of PVA/chitosan (PVA/CH) films incorporated with selenium nanoparticles (SeNPs) was evaluated against five pathogenic bacterial strains, showing a concentration-dependent enhancement, with the 1% SeNPs formulation achieving the highest inhibition zones across all tested pathogens. Se nanoparticles showed a more compact structure and excellent thermal and UV stability into PVA/CH-SeNPS film. Antioxidant potential was assessed using DPPH radical scavenging assays. The composites showed concentration-dependent free radical scavenging, with the highest activity observed at 1% SeNP concentration (IC50:45.2 µg/mL), closely approaching that of ascorbic acid (IC50: 38.6 µg/mL). HPLC analysis of orange peel extract identified high levels of rutin (546.46 mg/kg), quercetin (217.45 mg/kg), and chlorogenic acid (72.75 mg/kg), which likely contributed to the observed antioxidant properties. Cytotoxicity tests using Vero cells demonstrated high biocompatibility, with over 80% cell viability at all tested concentrations, confirming the composites’ potential for safe biomedical applications. Additionally, the use of PVA/CH-SeNP composites as an edible coating for Hollywood plum (<i>Prunus domestica</i> L. cv. Hollywood) was evaluated to extend postharvest storage. Fruits coated with 0.5% and 1% PVA/CH-SeNP showed significantly reduced weight loss (3.64% and 2.84%, respectively, compared to 6.91% in the control) and maintained higher firmness (7.20 N/cm² vs. 4.12 N/cm² in the control). The coatings also increased total soluble solids (TSS: 14.6°Brix), decreased acidity (0.936%), and enhanced L-ascorbic acid (19.86 mg/100 g) and anthocyanin content. These results highlight the potential of PVA/CH-SeNP composites as multifunctional biomaterials for antimicrobial, antioxidant, and food preservation applications. Future studies should explore their in vivo efficacy, long-term stability, and potential for large-scale applications.</p>\u0000 </div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01608-w","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144880970","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":"A quality-by-design optimized LC method for navigating degradation kinetics and quantification of favipiravir in the presence of degradation products and manufacturing impurities","authors":"Adel Ehab Ibrahim,&nbsp;Mohamed Farouk,&nbsp;Samy G. Alamir,&nbsp;Baher I. Salman,&nbsp;Tarek S. Belal,&nbsp;Sami El Deeb,&nbsp;Ahmed Al-Harrasi","doi":"10.1186/s13065-025-01610-2","DOIUrl":"10.1186/s13065-025-01610-2","url":null,"abstract":"<div><p>Emergent viruses require effective treatment regimens, and the severe acute respiratory syndrome coronavirus-2 variants are still evolving. Favipiravir has emerged as an effective antiviral medication, especially after its popularity against COVID-2019. Despite its growing popularity, favipiravir has not yet been included in any pharmacopeia, and new dosage forms are being developed to improve its bioavailability for various infections. Therefore, studying its stability and developing methods capable of detecting its impurities and degradation products are essential. An isocratic high-performance liquid chromatography with photodiode array detection method was also designed using the Quality-by-Design approach and validated to determine favipiravir in presence of its hydrolytic degradation products, besides two major manufacturing impurities (namely, 3,6-dichloro pyrazine-2-carbonitrile and 6-fluoro-3-hydroxypyrazine-2-carbonitrile). The separation was achieved using a mobile phase of 25.0 mM phosphate buffer (pH 3.04): acetonitrile (92: 8, v/v) at a 1.0 mL min⁻¹ flow rate. A Hypersil C18-BDS column (5.0 μm, 250.0 × 4.6 mm) was employed at room temperature and detection at 323.0 nm. The method had a linear range (5.0–100.0 µg mL⁻¹) with a limit of detection and quantification of 0.51 and 1.54 µg mL⁻¹. The drug's stability after forced degradation and at different pH levels was explored. Key results proved that FAV is most stable at pH 5.0, with calculated activation energies for the acidic and alkaline degradation processes being 53492.276 and 61896.899 kJ/mole, respectively. Moreover, the analysis of expired favipiravir tablets revealed the presence of the alkaline degradate, thereby demonstrating the efficacy of the method. The proposed method was evaluated for its greenness and blueness to demonstrate its ecological safety and practicality, scoring 0.65 in the Analytical Greenness (AGREE) metric and 85.00 on the Blue Applicability Grade Index (BAGI). It is the first sustainable method developed using the Quality-by-Design to profile favipiravir together with its degradation products and impurities simultaneously.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01610-2","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144853634","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":"Determination of bioactive profile of Polygala vulgaris L. by GC-MS and molecular docking","authors":"Fatma Gönül Sezgin","doi":"10.1186/s13065-025-01606-y","DOIUrl":"10.1186/s13065-025-01606-y","url":null,"abstract":"<div><p>Plants, being immobile, are constantly exposed to various biotic and abiotic stresses, leading to the generation of reactive oxygen species (ROS) which disrupt cellular homeostasis and cause oxidative damage. To combat this, plants have evolved various enzymatic and non-enzymatic antioxidant mechanisms. This study investigates the enzymatic activities of key antioxidants in <i>Polygala vulgaris L</i>., a species within the Polygalaceae known for its medicinal properties. The enzymatic activities of), catalase (CAT), superoxide dismutase (SOD), manganese superoxide dismutase (MnSOD) and phenol oxidase (PO) were measured. Additionally, the content of malondialdehyde (MDA), a marker for oxidative stress, was determined. The methanol extract of <i>P. vulgaris L</i>. was analyzed using GC-MS to identify bioactive compounds, and molecular docking studies were conducted to assess the interactions and binding energies of these compounds with the lysosomal integral membrane protein-2 (LIMP 2). LIMP 2 interaction of the extract suggested that it may trigger Parkison’s disease and at the same time protect the organism from enterovirus invasion. Results indicated significant antioxidant activity in <i>P. vulgaris L.</i>, with potential implications for its use in mitigating oxidative stress-related cellular damage. The study provides a comprehensive overview of the antioxidant defense mechanisms in <i>P. vulgaris L</i>. and underscores its potential for future pharmacological applications.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01606-y","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144843216","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":"Biodiesel production from sunflower and cooking waste oil in the presence of magnetic perlite as an efficient nanocatalyst: a new platform in chemical engineering","authors":"Farzad Khakpour,&nbsp;Mehdi Mahmoudian,&nbsp;Nasrin Shadjou","doi":"10.1186/s13065-025-01550-x","DOIUrl":"10.1186/s13065-025-01550-x","url":null,"abstract":"<div><p>In the present study, biodiesel was produced from sunflower and cooking waste oil through the transesterification reaction in the presence of magnetic perlite (pir/Fe₃O₄⋅PAA⋅KOH) as a new engineered nanocatalyst. The catalyst was prepared through the synthesis of Fe₃O₄ nanoparticles by co-precipitation method, followed by polymerization of acrylamide and finally absorption of KOH on the porous structure of perlite. The incorporation of Fe₃O₄ nanoparticles into the perlite structure facilitate easy separation and recycling of the catalyst, and the polymerization of acrylamide create a stable matrix that prevents the release of iron oxide nanoparticles. In order to reach the optimal operational parameters for enhancing biodiesel production yield, the effect of four factors (methanol to oil ratio, temperature, time of the reaction and catalyst percentage) was investigated using the Taguchi method and Minitab software. The transesterification reaction was carried out using a 20:1 methanol/oil molar ratio in the presence of 9 wt% of pir/ Fe₃O₄⋅PAA⋅KOH at 65 °C and in 3 h. Finally, the yield of the produced biodiesel was calculated using the sub-peak area of two regions in nuclear magnetic resonance spectra. The yield of biodiesel obtained from sunflower oil and cooking waste oil was 95.7% and 85.6%, respectively. </p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01550-x","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144832145","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":"Influence of 2-hydroxyethylammonium acetate-based protic ionic liquids on the thermophysical properties of aqueous DL-alanine solutions","authors":"Mohammad Amin Morsali,&nbsp;Hemayat Shekaari","doi":"10.1186/s13065-025-01603-1","DOIUrl":"10.1186/s13065-025-01603-1","url":null,"abstract":"<div><p>Understanding the hydration behavior of amino acids is fundamental to gaining insights into protein solvation mechanisms. Within this framework, examining the solvation properties of amino acids in aqueous media containing protic ionic liquids (PILs) a novel class of environmentally friendly solvents is crucial for characterizing their hydration dynamics. This research focuses on the influence of ammonium-based PILs, specifically mono-, bis-, and tris-(2-hydroxyethyl) ammonium acetate, on the hydration characteristics of <i>DL-</i>alanine. By employing COSMO computational analysis alongside thermophysical property measurements, the study evaluates the hydration energies and σ-profiles of <i>DL-</i>alanine and the PILs. The thermophysical behavior of <i>DL-</i>alanine in aqueous solutions containing varying concentrations of protic ionic liquids (PILs) was systematically analyzed using experimental data and modeling approaches. The density, speed of sound, viscosity, and refractive index were measured for ternary solutions of <i>DL-</i>alanine, water, and PILs across a temperature range of (298.15 to 318.15) K under atmospheric pressure. The standard partial molar volume (<span>(:{{V}_{phi:}}_{}^{0})</span>) measured over the studied temperature range indicates that the solute-solvent interactions between [2-HEA]Ac and <i>DL-</i>alanine in the presence of water is 63.119 cm³·mol^-1. Additionally, the hydration layer surrounding <i>DL-</i>alanine is notably influenced by temperature, as higher temperatures lead to the release of more water molecules relative to PIL-containing solutions. This temperature-dependent effect is especially pronounced in the presence of (2-hydroxyethyl) ammonium acetate, underscoring its significant impact on the hydration behavior of <i>DL-</i>alanine.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01603-1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144832202","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":"A concise synthesis of pyrrolo[2,3-d]pyrimidine through I2/DMSO promoted cascade annulation","authors":"Meng Xia,&nbsp;Siyuan Jiang,&nbsp;Lingxian Zhao,&nbsp;Ni Deng,&nbsp;Yue Yin,&nbsp;Zhenjie Liu,&nbsp;Suyue Duan,&nbsp;Xianfu Shen,&nbsp;Xuequan Wang","doi":"10.1186/s13065-025-01609-9","DOIUrl":"10.1186/s13065-025-01609-9","url":null,"abstract":"<div><p>An attractive approach for the preparation of pyrrolo[2,3-<i>d</i>]pyrimidines has been developed via I₂/DMSO promoted cascade annulation of 6-amino-1,3-dimethyluracil with aurones. The reaction involves Michael addition, iodination, intramolecular nucleophilic substitution, and spiro ring opening in one-step process, and affords a series of natural product analogues containing pyrrolo[2,3-<i>d</i>]pyrimidine in good yields (up to 99%). Additionally, this protocol exhibits the advantages of high atom economy, inexpensive catalyst, readily available materials, convenient operation and applicability for large-scale synthesis.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01609-9","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144832203","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 EPDM nanocomposites reinforced with sugarcane bagasse-derived cellulose nanocrystals","authors":"Hebat-Allah S. Tohamy,&nbsp;Adel Koriem,&nbsp;Doaa E. El-Nashar","doi":"10.1186/s13065-025-01601-3","DOIUrl":"10.1186/s13065-025-01601-3","url":null,"abstract":"<div>\u0000 \u0000 <p>The goal of this work is to prevent environmental pollution resulted from burned agriculture waste, offering a pathway with the potential to reduce CO₂ emissions compared to direct combustion of sugarcane bagasse. Cellulose nanocrystals (CNC) are produced by acid hydrolyzing cellulose obtained from sugarcane bagasse. It serves as a reinforcing filler within the ethylene propylene diene monomer (EPDM) rubber matrix. Transmission electron microscopy (TEM), thermogravimetric analysis (TGA), and X-ray diffraction (XRD) were employed to examine morphology, thermal properties and crystallinity respectively. The empirical crystallinity (LOI) and average hydrogen bond strength (MHBS) were determined using Fourier transform infrared spectroscopy (FTIR) for cellulose and cellulose nanocrystals (CNC). It was discovered that (CNC) is lower than CNC for both LOI and MHBS, demonstrating the breakdown of cellulose into CNCs. Two roll-mill was used to prepare EPDM/cellulose nanocrystals (CNC) nanocomposites. Two to ten parts of CNC per hundred rubbers were used. Curing characteristics, mechanical testing, thermogravimetric analysis (TGA), equilibrium swelling, and scanning electron microscopy (SEM) were used to assess the EPDM/(CNC) nanocomposites. SEM pictures, show that some clumping, particularly at higher percentages of (CNC), and a uniform dispersion of (CNC) at 8 phr. It has been demonstrated that when the loading of CNCs increases, the cure time lowers and cure rate index increased, simulating a shorter industrial production cycle. In comparison to EPDM at 8 phr (CNC) loading, Additionally, the results showed an increase in tensile strength from 2.68 to 10.82 MPa i.e. increased by 403.7% and increasing in elongation at break by 233.47%. Also the hardness increased to about 83.33%. The modulus at 50, 100, and 200%, as well as a decrease in equilibrium swelling that confirm the mechanical testing. So, the prepared (CNC) may be enhanced the mechanical properties of the evaluated nanocomposites comparing to EPDM vulcanizates free.</p>\u0000 </div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01601-3","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144832204","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":"Enhanced performance and reduced emissions in compression-ignition engine fueled with biodiesel blends synthesized via CaO and MgO nano catalysts","authors":"Sabah Mohamed Farouk,&nbsp;Aghareed M. Tayeb,&nbsp;Shereen M. S. Abdel-Hamid,&nbsp;Randa M. Osman,&nbsp;Hassan M. M. Mustafa","doi":"10.1186/s13065-025-01604-0","DOIUrl":"10.1186/s13065-025-01604-0","url":null,"abstract":"<div><p>The rapid depletion of fossil fuel reserves has intensified the pursuit of sustainable alternatives for compression-ignition engines. Biodiesel, produced from renewable feedstocks such as waste cooking oil (WCO), offers an environmentally benign substitute that can be utilized either neat or in blends with conventional diesel. This study examines the comparative efficacy of nano-calcium oxide (CaO) and nano-magnesium oxide (MgO) catalysts in synthesizing biodiesel from WCO, emphasizing their physicochemical characteristics and subsequent effects on diesel engine performance and emissions. Distinct from prior investigations that focused on single catalysts or lacked engine-level validation, this work integrates detailed catalyst characterization (SEM, BET, XRD) with comprehensive combustion testing of various biodiesel blends. The synthesized biodiesel was blended with petroleum diesel at volumetric ratios of B10, B20, and B30 and evaluated in a single-cylinder diesel engine. Characterization results demonstrated superior catalytic activity of nano-CaO (average particle size: 67.1 nm; specific surface area: 80.7 m²/g) compared to nano-MgO (32.5 nm; 60.2 m²/g). Engine performance testing revealed that the NC(CaO)B10 blend reduced brake-specific fuel consumption by 8.3% and improved thermal efficiency at 75% engine load relative to baseline diesel. Furthermore, NC(MgO)B30 lowered CO₂ emissions by 4.2%, whereas NC(CaO)B30 achieved a 0.7% reduction in CO emissions and an approximate 3% increase in excess oxygen availability. These findings underscore the potential of CaO-based Nano catalysts, particularly at lower blend ratios, to enable cleaner and more efficient diesel engine operation. This work advances the case for nanotechnology-enhanced biodiesel as a viable component of sustainable fuel systems and highlights opportunities for optimization through higher blend ratios and synergistic catalyst combinations.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01604-0","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144832146","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":"Dual-platform integration of HPTLC and firefly algorithm-optimized chemometrics with hammersley sequence sampling for simultaneous quantification of bisoprolol, amlodipine, and mutagenic impurity 4-hydroxybenzaldehyde","authors":"Lateefa A. Al-Khateeb,&nbsp;Ahmed Emad F. Abbas,&nbsp;Mohamed R. Elghobashy,&nbsp;Nisreen F. Abo Talib,&nbsp;Ibrahim A. Naguib,&nbsp;Mohammed Alqarni,&nbsp;Michael K. Halim","doi":"10.1186/s13065-025-01598-9","DOIUrl":"10.1186/s13065-025-01598-9","url":null,"abstract":"<div><p>The simultaneous quantification of active pharmaceutical ingredients alongside their mutagenic impurities represents a critical challenge in pharmaceutical quality control. This study presents the first multicolor analytical platform for concurrent determination of bisoprolol fumarate (BIP), amlodipine besylate (AML), and 4-hydroxybenzaldehyde (HBZ), a Class 3 mutagenic impurity in BIP requiring strict regulatory monitoring. Two complementary methodologies were developed: high-performance thin-layer chromatography (HPTLC)-densitometry and Firefly Algorithm-optimized partial least squares (FA-PLS) spectrophotometry, both aligned with green analytical chemistry (GAC) and white analytical chemistry (WAC) principles. The HPTLC method employed an eco-friendly mobile phase of ethyl acetate–ethanol (7:3, v/v), achieving baseline separation with Rf values of 0.29 ± 0.02 (HBZ), 0.72 ± 0.01 (AML), and 0.83 ± 0.01 (BIP). The FA-PLS model incorporated a novel Hammersley Sequence Sampling (HSS) strategy for validation set construction, ensuring uniform concentration space coverage and eliminating sampling bias inherent in conventional random approaches. This innovation, combined with a 5² mixture experimental design for calibration (25 mixtures), significantly enhanced model robustness and predictive capability. Both methods demonstrated superior analytical performance with detection limits of 3.56–20.52 ng/band (HPTLC) and 0.011–0.120 μg/mL (FA-PLS), correlation coefficients ≥ 0.9995, and precision (RSD) ≤ 2%. Comprehensive sustainability assessment using multiple evaluation tools revealed exceptional environmental profiles: perfect NEMI, AGREE, and ComplexGAPI scores, high GEMAM indices (7.015 and 7.487), minimal carbon footprints (0.037 and 0.021 kg CO₂/sample), and outstanding BAGI (87.50 and 90.00), VIGI (75.00 and 80.00), and RGBfast scores (81.00 and 85.00) for HPTLC and FA-PLS, respectively. NQS evaluation confirmed alignment with eleven UN Sustainable Development Goals, particularly SDG 3 (Good Health and Well-being), SDG 9 (Industry, Innovation and Infrastructure), and SDG 12 (Responsible Consumption and Production), yielding overall sustainability scores of 82% and 83%. Successful application to pharmaceutical dosage forms validated the methods' practical utility. This work establishes a new paradigm in sustainable pharmaceutical analysis, demonstrating how algorithmic optimization and environmental consciousness can synergistically advance analytical science while meeting stringent regulatory requirements.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01598-9","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144814477","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 and ultra-sensitive electrochemical sensor for sertraline detection in pharmaceuticals and plasma","authors":"Ramy E. El-Bahnasawy,&nbsp;Hany A. Batakoushy,&nbsp;Hytham M. Ahmed","doi":"10.1186/s13065-025-01602-2","DOIUrl":"10.1186/s13065-025-01602-2","url":null,"abstract":"<div><p>In this work, methylene blue (MB) is electropolymerized to produce a modified glassy carbon electrode (GCE) that will enhance the electrochemical determination of sertraline (SRT), a selective serotonin reuptake inhibitor. The entire material characterization using Fourier transform infrared spectroscopy (FTIR), energy-dispersive X-ray analysis (EDX), and scanning electron microscopy (SEM) verified that the polymeric film of MB dye had successfully formed on the electrode surface. The modified electrode exhibited enhanced electron transfer kinetics, exhibiting ultra-sensitive SRT detection. According to ICH guidelines, Differential pulse voltammetry (DPV) has been used to estimate the limit of detection (LOD) for SRT, with concentrations ranging from 0.5 µM to 30.0 µM. The LOD value was calculated to be 0.28 µM. Voltammetric methods such as cyclic voltammetry, differential pulse voltammetry and electrochemical impedance spectroscopy were employed to investigate the electrooxidation behavior of SRT at various pH levels and scan rates. The results showed that poly methylene blue (PMB)/GCE exhibits improved electroactive surface area and enhanced charge transfer kinetics compared to bare GCE. High sensitivity, selectivity, and recovery percentage (99.08–101.09%) were demonstrated by the modified sensor (PMB/GCE) in detecting SRT in various matrices, including pharmaceutical samples and spiked plasma. The outstanding eco-friendliness and sustainability of the proposed method were thoroughly demonstrated using multiple assessment tools, including Analytical GREEnness (AGREE), AGREEprep, the Complex MoGAPI, and the newly developed Need, Quality, and Sustainability (NQS) index. In comparison to previously reported methods, the Red-Green-Blue (RGB) 12 algorithm proved to be more cost-effective, environmentally sustainable, analytically robust, and exhibited a higher degree of “whiteness.”</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-025-01602-2","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144814478","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}