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Real-world operational characteristics of perovskite photovoltaics 钙钛矿光伏电池的实际工作特性。
IF 5.1 2区 化学
BMC Chemistry Pub Date : 2026-07-02 Epub Date: 2026-09-23 DOI: 10.1186/s13065-026-01864-4
Xingtao Wang, Chi Zhang, Congbo Shi, Chuanke Chen, Lichuang Wang, Zizhen Lin, Chao Dong, Dongming Zhao
{"title":"Real-world operational characteristics of perovskite photovoltaics","authors":"Xingtao Wang,&nbsp;Chi Zhang,&nbsp;Congbo Shi,&nbsp;Chuanke Chen,&nbsp;Lichuang Wang,&nbsp;Zizhen Lin,&nbsp;Chao Dong,&nbsp;Dongming Zhao","doi":"10.1186/s13065-026-01864-4","DOIUrl":"10.1186/s13065-026-01864-4","url":null,"abstract":"<div><p>Perovskite solar cells (PSCs) have achieved remarkable progress in power conversion efficiency, approaching 27% for single-junction device. As this photovoltaic technology advances toward industrial implementation, operational characteristics are becoming increasing critical. Although considerable efforts have been devoted to studying stability under laboratory conditions, the operational characteristics of PSCs in real-world differ markedly and remain insufficiently explored. Specifically, the power output of perovskite modules under outdoor conditions is strongly influenced by dynamic weather parameters, yet their behavior in these uncontrolled environments is far less understood compared to controlled laboratory evaluations. This review highlights the phenomena unique to PSCs, including seasonal efficiency variations and diurnal cycling, which distinguish them from convention PV technologies. We first discuss the operational behavior of PSCs observed in controlled laboratory test, with emphasis on light exposure, temperature cycling and bias to elucidate the underlying mechanism. Then, we summarize the works on long-term outdoor behavior of both single junction PSCs and perovskite/silicon tandem photovoltaics. Finally, we provide perspective on bridging the gap between fundamental mechanism and real-world applications.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"20 1","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13065-026-01864-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148374184","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}
引用次数: 0
Designing advanced nanocomposite materials for efficient elimination of Victoria Blue B dye from aqueous media 设计先进的纳米复合材料,有效地消除维多利亚蓝B染料从水介质。
IF 5.1 2区 化学
BMC Chemistry Pub Date : 2026-07-02 Epub Date: 2026-07-22 DOI: 10.1186/s13065-026-01869-z
Nada S. Al-Kadhi, Saad A. Aljlil, Ehab A. Abdelrahman
{"title":"Designing advanced nanocomposite materials for efficient elimination of Victoria Blue B dye from aqueous media","authors":"Nada S. Al-Kadhi,&nbsp;Saad A. Aljlil,&nbsp;Ehab A. Abdelrahman","doi":"10.1186/s13065-026-01869-z","DOIUrl":"10.1186/s13065-026-01869-z","url":null,"abstract":"<div><p>The growing discharge of persistent cationic dyes necessitates adsorbents that combine high efficiency, facile production, and reliable regeneration. Herein, nickel oxide/magnesium chromate/carbon novel nanocomposites were successfully synthesized by a Pechini sol-gel route at 600 and 800 °C to obtain NMC600 and NMC800, respectively, for the elimination of Victoria Blue B from aqueous media. XRD, FE-SEM, HR-TEM, EDX, and BET analyses confirmed the formation of well-integrated nanostructures whose physicochemical properties were strongly governed by calcination temperature. NMC600 displayed smaller crystallites, finer polyhedral particles, higher residual carbon content, larger surface area (56.27 m<sup>2</sup>/g), and greater pore volume (0.2517 cm<sup>3</sup>/g), resulting in marked superior adsorption performance compared with NMC800. Under optimized conditions, NMC600 achieved a maximum Langmuir capacity of 371.74 mg/g, whereas NMC800 reached 194.55 mg/g. Kinetic evaluation revealed that dye uptake followed the pseudo-first-order model, while thermodynamic parameters confirmed a spontaneous, exothermic, and predominantly physical adsorption process. Mechanistic interpretation indicated that electrostatic attraction under alkaline conditions, hydrogen bonding, complexation, and π-π interaction collectively controlled dye removal. The nanocomposites also exhibited efficient desorption using 2 M HCl, stable recyclability over five cycles, resistance to common interfering ions, and promising performance in real wastewater.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"20 1","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13393882/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148374175","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}
引用次数: 0
Microwave synthesis of ultrasmall gold nanoparticles, their γ-globulin interaction and subsequent effects in hepatocellular carcinoma cells 微波合成超小金纳米颗粒及其γ-球蛋白相互作用及其对肝癌细胞的影响。
IF 5.1 2区 化学
BMC Chemistry Pub Date : 2026-07-02 DOI: 10.1186/s13065-026-01868-0
Gong Chen, Shanshan Han, Xiaoyan Huang, Weiping Wei
{"title":"Microwave synthesis of ultrasmall gold nanoparticles, their γ-globulin interaction and subsequent effects in hepatocellular carcinoma cells","authors":"Gong Chen,&nbsp;Shanshan Han,&nbsp;Xiaoyan Huang,&nbsp;Weiping Wei","doi":"10.1186/s13065-026-01868-0","DOIUrl":"10.1186/s13065-026-01868-0","url":null,"abstract":"<div><p>Gold nanoparticles (GNPs) are widely explored for biomedical applications; however, their interactions with plasma proteins and the resulting effects on biological activity remain insufficiently understood. In this study, ultrasmall GNPs were synthesized via a solvent-polarity-controlled microwave-assisted reduction method using sodium citrate as a reducing agent and polyvinylpyrrolidone as a stabilizer. The synthesized GNPs exhibited a mean diameter of 6 ± 2 nm and were subsequently employed to investigate the formation and biological implications of a γ-globulin protein corona. Physicochemical characterization demonstrated that γ-globulin adsorption significantly altered the colloidal properties of GNPs, resulting in increased hydrodynamic size, reduced zeta potential, and a red-shift of the surface plasmon resonance band. Fluorescence quenching studies revealed a spontaneous interaction between GNPs and γ-globulin. Thermodynamic analysis indicated that the binding process was predominantly driven by hydrogen bonding and van der Waals interactions. Molecular docking using Au₁₃ and Au₄₃ clusters as computationally tractable models of the GNP surface further confirmed the involvement of polar amino acid residues in protein adsorption. Spectroscopic analyses showed only minor conformational perturbations in γ-globulin following interaction with GNPs. Biological evaluation demonstrated that bare GNPs exerted significant selective antiproliferative activity against HepG2 hepatocellular carcinoma cells relative to normal human hepatic L-02 cells, whereas γ-globulin-coated GNPs exhibited markedly reduced cytotoxicity. Protein corona formation decreased cellular uptake, attenuated reactive oxygen species generation, preserved antioxidant defenses, and reduced apoptosis-related signaling. These findings establish a direct mechanistic relationship between γ-globulin corona formation, nanoparticle physicochemical properties, cellular uptake, and biological response, highlighting the critical role of the nano–bio interface in determining the therapeutic performance of GNP-based systems.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"20 1","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13065-026-01868-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148374210","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}
引用次数: 0
A QbD-based method for the simultaneous determination of tadalafil, terazosin, and tamsulosin using organic-solvent free mixed-micellar HPLC: a sustainable green approach 基于qbd的有机-无溶剂混合胶束高效液相色谱法同时测定他达拉非、特拉唑嗪和坦索罗辛的方法:可持续的绿色方法。
IF 5.1 2区 化学
BMC Chemistry Pub Date : 2026-07-01 Epub Date: 2026-07-02 DOI: 10.1186/s13065-026-01866-2
Yahya Bin Abdullah Alrashdi, Galal Magdy, Mohamed M. Osman, Samy G. Alamir, Sami El Deeb, Ahmed Al-Harrasi, Adel Ehab Ibrahim
{"title":"A QbD-based method for the simultaneous determination of tadalafil, terazosin, and tamsulosin using organic-solvent free mixed-micellar HPLC: a sustainable green approach","authors":"Yahya Bin Abdullah Alrashdi,&nbsp;Galal Magdy,&nbsp;Mohamed M. Osman,&nbsp;Samy G. Alamir,&nbsp;Sami El Deeb,&nbsp;Ahmed Al-Harrasi,&nbsp;Adel Ehab Ibrahim","doi":"10.1186/s13065-026-01866-2","DOIUrl":"10.1186/s13065-026-01866-2","url":null,"abstract":"<div><p>The recent updates to benign prostatic hyperplasia treatment from American (2023) and European (2024) guideline recommend the use of alpha-1 blockers in conjunction with phosphodiesterase-5 inhibitors. A new green mixed micellar liquid chromatographic method was established to concurrently analyze alpha-1 blockers, terazosin/tamsulosin, and tadalafil, a major phosphodiesterase-5 inhibitor. Quality by Design was integrated to enhance essential chromatographic variables and resulted in elevated desirability functions. A comprehensive design space was established, guaranteeing the method's reliability. The separation was carried out on a reversed-phase C18 column (150 × 4.6 mm, 5 µm) using organic-solvent-free mobile phase consisting of a mixture of Brij-35 (20 mM), sodium dodecyl sulfate (150 mM), and sodium dihydrogen phosphate buffer (10 mM) adjusted to pH 4.84 and flow rate of 1 mL/min. Ultraviolet detection was performed at 285 nm for tadalafil and 214 nm for terazosin and tamsulosin. The linearity range observed for all drugs under investigation was (5–100 µg/mL). The limits of detection were 0.27, 0.29, and 0.32 µg/mL, and the limits of quantification were 0.81, 0.88, and 0.97 µg/mL for terazosin, tadalafil, and tamsulosin, respectively. Validation in accordance with International Council for Harmonisation guidelines was successfully implemented. The approach was effectively utilized to identify analytes in the formulated tablets and pharmaceutical products. The ecological impact of the method was evaluated using the complex green analytical procedure index and Analytical GREEnness metrics, demonstrating the advantages of the proposed procedure over previously reported methods.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"20 1","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13065-026-01866-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148366515","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}
引用次数: 0
Systematic design, optimization, and comparative photocatalytic performance of FeVTiOx, FeCrTiOx, and FeCrVTiOx multi-metal titania catalysts for bromocresol green degradation feevtiox、FeCrTiOx、FeCrVTiOx多金属二氧化钛催化剂降解溴甲酚绿色的系统设计、优化及光催化性能比较
IF 5.1 2区 化学
BMC Chemistry Pub Date : 2026-07-01 Epub Date: 2026-09-22 DOI: 10.1186/s13065-026-01858-2
Nastaran Parsafard, Fatemeh Atapour
{"title":"Systematic design, optimization, and comparative photocatalytic performance of FeVTiOx, FeCrTiOx, and FeCrVTiOx multi-metal titania catalysts for bromocresol green degradation","authors":"Nastaran Parsafard,&nbsp;Fatemeh Atapour","doi":"10.1186/s13065-026-01858-2","DOIUrl":"10.1186/s13065-026-01858-2","url":null,"abstract":"<div><p>The photocatalytic degradation of Bromocresol Green dye was systematically investigated over FeVTiO<sub>x</sub>, FeCrTiO<sub>x</sub>, and FeCrVTiO<sub>x</sub> catalysts using batch reactor experiments. The effects of pH, irradiation time, and initial dye concentration were evaluated, with photodegradation efficiency (PDE) as the main response. Among the studied catalysts, FeCrTiO<sub>x</sub> exhibited superior photocatalytic performance, achieving rapid degradation under acidic conditions. The optimization of the process parameters was carried out using Response Surface Methodology based on a Face-Centered Central Composite Design. The results indicated that pH is the most influential parameter, followed by initial dye concentration, while irradiation time showed a secondary effect. The quadratic model demonstrated good agreement with experimental data, with statistical parameters of R<sup>2</sup> = 0.99, confirming the adequacy and reliability of the model. The optimal operating region was identified at intermediate pH values, moderate irradiation times (≈ 25–35 min), and low initial dye concentrations, where near-complete decolorization was achieved. The predicted optimal conditions were experimentally validated, showing good agreement between predicted and observed PDE values. Additionally, radical scavenging experiments revealed that hydroxyl radicals and superoxide radicals are the dominant reactive species in the photocatalytic process. The FeCrTiO<sub>x</sub> catalyst demonstrated high efficiency, stability, and reliable performance, highlighting its potential for practical wastewater treatment applications.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"20 1","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13595670/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148374206","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}
引用次数: 0
Simultaneous quantification of total and free protein-bound uremic toxins in serum by LC-MS/MS: method development, validation, and clinical application in hemodialysis patients LC-MS/MS同时定量血液透析患者血清中总和游离蛋白结合尿毒症毒素:方法开发、验证和临床应用
IF 5.1 2区 化学
BMC Chemistry Pub Date : 2026-06-29 Epub Date: 2026-09-15 DOI: 10.1186/s13065-026-01871-5
Mert Andaç Temel, Erhan Canbay, Ebru Sezer, Nazlıcan Şeren, Soner Duman, Eser Yıldırım Sözmen
{"title":"Simultaneous quantification of total and free protein-bound uremic toxins in serum by LC-MS/MS: method development, validation, and clinical application in hemodialysis patients","authors":"Mert Andaç Temel,&nbsp;Erhan Canbay,&nbsp;Ebru Sezer,&nbsp;Nazlıcan Şeren,&nbsp;Soner Duman,&nbsp;Eser Yıldırım Sözmen","doi":"10.1186/s13065-026-01871-5","DOIUrl":"10.1186/s13065-026-01871-5","url":null,"abstract":"<div><p>Protein-bound uremic toxins (PBUTs), including indoxyl sulfate (IxS), p-cresol sulfate (pCS), indole-3-acetic acid (IAA), and 3-carboxy-4-methyl-5-propyl-2-furanpropionic acid (CMPF), accumulate in patients with End-Stage Kidney Disease (ESKD) due to their resistance to conventional dialysis clearance and have been implicated in cardiovascular complications, oxidative stress, and disease progression. Accurate quantification of both total and free fractions of these toxins is essential for understanding their clinical significance, yet validated methods with population-specific reference intervals remain scarce. In this study, a rapid, sensitive, and fully validated LC-MS/MS method was developed for the simultaneous quantification of total and free serum concentrations of four PBUTs using a 4-minute chromatographic run and a single-step protein precipitation with an acetonitrile/acetone (1:1, v/v) solvent system. For the first time, indole-3-carboxylic acid was employed as an internal standard for IAA and CMPF quantification, while dihydrochlorothiazide (DHCT) was used for IxS and pCS. Method validation was performed in accordance with European Medicine Agency (EMA) guidelines, demonstrating excellent linearity (R² &gt; 0.99), recovery (90–110%), minimal matrix effects (95–105%), and intra- and inter-day precision below 10% coefficient of variation (CV) for all analytes. Reference intervals for total PBUT concentrations were established using data from 120 healthy volunteers from a Turkish population cohort, representing the largest reference dataset reported to date for these analytes. The validated method was applied to serum samples from 118 maintenance hemodialysis patients, revealing significantly elevated total PBUT concentrations compared to healthy controls (<i>p</i> &lt; 0.001 for all analytes), with IxS and pCS showing the most pronounced accumulation (approximately 29- and 23-fold higher, respectively). ROC curve analysis demonstrated excellent diagnostic performance for IxS (AUC = 0.986), pCS (AUC = 0.980), and CMPF (AUC = 0.943) in discriminating hemodialysis patients from healthy controls, while IAA showed limited discriminatory ability (AUC = 0.633), likely reflecting its distinct protein binding dynamics in uremic conditions. Spearman correlation analysis revealed significant associations between total PBUT levels and biochemical markers of renal function, further supporting the clinical relevance of the developed method. This validated LC-MS/MS approach offers a practical and reliable tool for simultaneous PBUT monitoring in clinical and research settings.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"20 1","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-06-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13576204/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148343534","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}
引用次数: 0
Immobilization and characterization of bovine carbonic anhydrase enzyme on iron oxide magnetic nanoparticles: investigation of potential applicability in CO2 removal 牛碳酸酐酶在氧化铁磁性纳米颗粒上的固定化和表征:对二氧化碳去除的潜在适用性的研究。
IF 5.1 2区 化学
BMC Chemistry Pub Date : 2026-06-26 Epub Date: 2026-09-11 DOI: 10.1186/s13065-026-01828-8
Muhammet Firat, Şükrü Beydemir, Mesut Işik, Alev Akpinar Borazan, Ömer İrfan Küfrevioğlu
{"title":"Immobilization and characterization of bovine carbonic anhydrase enzyme on iron oxide magnetic nanoparticles: investigation of potential applicability in CO2 removal","authors":"Muhammet Firat,&nbsp;Şükrü Beydemir,&nbsp;Mesut Işik,&nbsp;Alev Akpinar Borazan,&nbsp;Ömer İrfan Küfrevioğlu","doi":"10.1186/s13065-026-01828-8","DOIUrl":"10.1186/s13065-026-01828-8","url":null,"abstract":"<div><p>In this study, carbonic anhydrase (CA) was purified from bovine erythrocytes using a Sepharose 4B-<span>l</span>-tyrosine sulfanilamide affinity chromatography method, achieving an 83.42-fold purification. The source of the enzyme is bovine blood erythrocytes, which were obtained from a slaughterhouse. Following purification, two different support materials (Fe₃O₄–NH₂ and Fe₃O₄@SiO₂–NH₂) were synthesized for enzyme immobilization, and sığır karbonik anhidraz (BCA) was immobilized via the covalent binding method. The support material prior to immobilisation and the enzyme-bound support material after immobilisation were characterised by FT-IR, SEM-EDX and VSM. The kinetic parameters of free BCA were determined as Km = 4.888 mM and Vmax = 3.081 µmol min<sup>−1</sup> mL<sup>−1</sup>. For the immobilised enzyme, Km and Vmax values were 16.160 mM and 2.195 µmol min<sup>−1</sup> mL<sup>−1</sup> on support material I, and 9.369 mM and 1.810 µmol min<sup>−1</sup> mL<sup>−1</sup> on support material II, respectively. The operational stability of the immobilised enzymes was evaluated through 20 consecutive reuse cycles, during which support material I retained 86% of its initial activity, while support material II retained 73%. In contrast, the free enzyme could only be used once due to its loss of activity. Storage stability tests were performed by incubating the samples at 4 °C for 60 days. At the end of the incubation period, support material II maintained 60% of its initial activity, and support material I retained 49%, whereas the free enzyme preserved only 17% of its activity under identical conditions. Finally, the potential applicability of the immobilised BCA for CO₂ removal was investigated, demonstrating its promise as a stable and reusable biocatalyst for CO₂ capture applications.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"20 1","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13065-026-01828-8.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148337351","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}
引用次数: 0
A dual-matrix analytical framework integrating bio-inspired machine learning and Sobol-optimized UV spectrophotometry for five-analyte quantification: comprehensive sustainability assessment 集成生物启发机器学习和sobol优化紫外分光光度法的双矩阵分析框架,用于五种分析物定量:综合可持续性评估
IF 5.1 2区 化学
BMC Chemistry Pub Date : 2026-06-25 Epub Date: 2026-06-26 DOI: 10.1186/s13065-026-01853-7
Khadiga M. Kelani, Lama A. Alshabani, Omkulthom Al kamaly, Michael K. Halim, Ahmed Emad F. Abbas
{"title":"A dual-matrix analytical framework integrating bio-inspired machine learning and Sobol-optimized UV spectrophotometry for five-analyte quantification: comprehensive sustainability assessment","authors":"Khadiga M. Kelani,&nbsp;Lama A. Alshabani,&nbsp;Omkulthom Al kamaly,&nbsp;Michael K. Halim,&nbsp;Ahmed Emad F. Abbas","doi":"10.1186/s13065-026-01853-7","DOIUrl":"10.1186/s13065-026-01853-7","url":null,"abstract":"<div><p>The development of environmentally sustainable analytical methodologies capable of resolving highly overlapped multicomponent systems remains an important challenge in modern analytical chemistry. UV spectrophotometry offers several practical advantages, including minimal solvent-consumption, rapid analysis, low operational cost, and instrumental simplicity; however, its quantitative application is often constrained by severe spectral-overlap among analytes. In the present study, a dual-matrix chemometric framework was developed for the simultaneous determination of five spectrally overlapping analytes—hydrochlorothiazide (HCD), losartan potassium (LOS), ramipril (RAP), N-nitrosodiethylamine (NDA), and toluene (TLN)—in pharmaceutical formulations and fortified human plasma samples. The proposed methodology integrates a five-factor, five-level multilevel experimental design for calibration, Sobol quasi-random sampling for external validation, and Firefly Algorithm-optimized Partial Least Squares (FA-PLS) modeling for adaptive wavelength selection and multivariate calibration. The developed models demonstrated excellent analytical performance. For pharmaceutical formulations, mean recoveries ranged from 99.68 to 100.57%, with RMSEP values between 0.037 and 0.094 µg/mL. For fortified human plasma samples, mean recoveries ranged from 98.18 to 98.97%, with RMSEP values between 0.059 and 0.146 µg/mL, demonstrating the feasibility of the proposed approach under biologically relevant matrix conditions. The environmental profile of the proposed methodology was comprehensively evaluated using multiple complementary tools, including NEMI, ComplexGAPI, AGREE, the Multicolor Assessment Tool, carbon footprint estimation, and the Need–Quality–Sustainability index. Collectively, these assessments confirmed the favorable greenness and overall sustainability characteristics of the developed spectrophotometric approach. To the best of our knowledge, no previous UV spectrophotometric chemometric method has been reported for the simultaneous determination of LOS, RAP, and HCD in the presence of both NDA and TLN within a single analytical workflow without a prior separation step. The proposed dual-matrix FA-PLS framework demonstrates that UV spectrophotometry, when coupled with advanced chemometric optimization and statistically designed calibration strategies, can provide an accurate, sensitive, and environmentally sustainable platform for multicomponent pharmaceutical analysis and proof-of-concept application to biological matrices.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"20 1","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13065-026-01853-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148323634","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}
引用次数: 0
Efficient sorption of zirconium (IV) from zircon leachate using a carboxymethyl cellulose based sorbent 羧甲基纤维素基吸附剂对锆石渗滤液中锆(IV)的高效吸附。
IF 5.1 2区 化学
BMC Chemistry Pub Date : 2026-06-24 DOI: 10.1186/s13065-026-01842-w
Sh. M. Abdo, Zakaria A. Mekawy, G. A. Dakroury, K. M. El-Azony, Reda R. Sheha
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引用次数: 0
Green chitosan–starch–polyvinyl alcohol bio-composite hydrogel for zirconium capture from zircon raffinate 绿色壳聚糖-淀粉-聚乙烯醇生物复合水凝胶从锆石萃余液中捕获锆。
IF 5.1 2区 化学
BMC Chemistry Pub Date : 2026-06-24 DOI: 10.1186/s13065-026-01841-x
G. A. Dakroury, Sh. M. Abdo, E. A. A. El Shazly
{"title":"Green chitosan–starch–polyvinyl alcohol bio-composite hydrogel for zirconium capture from zircon raffinate","authors":"G. A. Dakroury,&nbsp;Sh. M. Abdo,&nbsp;E. A. A. El Shazly","doi":"10.1186/s13065-026-01841-x","DOIUrl":"10.1186/s13065-026-01841-x","url":null,"abstract":"<div><p>A novel polymer-based sorbent comprising three blended components was synthesized via aqueous mixing and ultrasonication for the efficient removal of Zr(IV) from highly acidic solutions. Characterization by FT-IR, SEM, and surface area analysis confirmed active functional groups and a mesoporous structure (16.704 m<sup>2</sup> g⁻<sup>1</sup>, 3 nm pores). Batch studies revealed that maximum uptake (102 mg g⁻<sup>1</sup>) occurred at pH 1.25 after 120 min at 20 °C, increasing to 188 mg g⁻<sup>1</sup> with higher initial concentrations (50–750 mg L<sup>−1</sup>). Uptake decreased at elevated temperatures (293–323 K), indicating exothermic adsorption. Kinetic analysis was consistent with adsorption involving surface interactions and was best described by the pseudo-second-order and Elovich models, while equilibrium data were better fitted by the Freundlich model, suggesting a heterogeneous adsorption surface. Thermodynamic parameters (ΔG = –18.84 to –19.60 kJ mol<sup>−1</sup>; ΔH = − 11.35 kJ mol<sup>−1</sup>; ΔS = 25.57 J mol<sup>−1</sup> K<sup>−1</sup>) confirmed a spontaneous and exothermic process. The sorbent remained stable in acidic media up to 2 M H<sub>2</sub>SO<sub>4</sub> and was effectively regenerated, with H<sub>2</sub>SO<sub>4</sub> achieving the highest desorption efficiency. These findings suggest that the prepared material shows potential as an effective sorbent for Zr(IV) recovery from acidic process streams.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"20 1","pages":""},"PeriodicalIF":5.1,"publicationDate":"2026-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s13065-026-01841-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148315090","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}
引用次数: 0
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