Journal of the Iranian Chemical Society最新文献_第3页

Synthesis, antioxidant, and antiurease activities of novel benzimidazole-based 1,3,4-thiadiazole derivatives 新型苯并咪唑类1,3,4-噻二唑衍生物的合成、抗氧化及抗脲酶活性研究

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-09-25 DOI: 10.1007/s13738-026-03601-z

Taner İlker Gümrükçüoğlu, Hakan Akgün, Hakan Bektaş, Bahar Bilgin Sökmen, Emre Menteşe

{"title":"Synthesis, antioxidant, and antiurease activities of novel benzimidazole-based 1,3,4-thiadiazole derivatives","authors":"Taner İlker Gümrükçüoğlu, Hakan Akgün, Hakan Bektaş, Bahar Bilgin Sökmen, Emre Menteşe","doi":"10.1007/s13738-026-03601-z","DOIUrl":"10.1007/s13738-026-03601-z","url":null,"abstract":"<div><p>In this study, we report the synthesis and characterisation of five new benzimidazole-based 1, 3, 4-thiadiazole derivatives (5a–e) and the evaluation of their antioxidant and antiurease activities. The structures were confirmed by NMR (<sup>1</sup>H, <sup>13</sup>C) and LC/TOF–MS analyses (spectra are given in the supplementary information). Biological assays (DPPH, ABTS, iron-reducing power, urease inhibition) revealed that compound 5e (bearing a 4-nitrophenyl substituent) exhibited the strongest urease inhibition (EC<sub>50</sub> = 0.1296 ± 0.0260 µM), surpassing thiourea. One-way ANOVA revealed significant differences in urease inhibition between the compounds (p<0.001). Post-hoc Tukey tests confirmed that compound 5e was more effective than several other compounds. The compounds exhibited moderate and comparable antioxidant activities. The first SAR study shows that electron-withdrawing substituents increase urease inhibition, whereas electron-donating groups increase the reducing power. Comparison with earlier reported triazole analogues shows scaffold-dependent changes in bioactivity. These findings support thiadiazoles as promising dual-function agents for oxidative stress and urease-associated pathologies.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149035169","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Molecular hybridization approach toward quinoline–thiazolidinedione derivatives: synthesis, DPPH radical scavenging activity, and ADME prediction 喹啉-噻唑烷二酮衍生物的分子杂交方法：合成、DPPH自由基清除活性和ADME预测

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-09-22 DOI: 10.1007/s13738-026-03636-2

Shweta Patel

{"title":"Molecular hybridization approach toward quinoline–thiazolidinedione derivatives: synthesis, DPPH radical scavenging activity, and ADME prediction","authors":"Shweta Patel","doi":"10.1007/s13738-026-03636-2","DOIUrl":"10.1007/s13738-026-03636-2","url":null,"abstract":"<div><p>A series of quinoline-appended thiazolidine-2,4-dione derivatives, (Z)-5-benzylidene-3-(quinoline−8-yl) thiazolidine−2,4-diones, was synthesized through an efficient and straightforward synthetic protocol. The target compounds were obtained in good yields and characterized by IR, <sup>1</sup>H NMR, <sup>13</sup>C NMR, and mass spectrometry, confirming the formation of the desired structures. The antioxidant activity of the synthesized derivatives was assessed using the DPPH free radical scavenging method, revealing moderate to significant activity depending on the nature of substituents on the benzylidene moiety. Compounds containing electron-donating groups exhibited comparatively enhanced radical scavenging ability. In addition, physicochemical properties, pharmacokinetic parameters, and drug-likeness were evaluated using the Swiss ADME online tool, indicating favourable absorption characteristics and compliance with established drug-likeness criteria. The results demonstrate that the integration of quinoline and thiazolidinedione pharmacophores provides structurally promising molecules with potential biological relevance and acceptable predicted ADME behaviour. This study aligns with Sustainable Development Goal 3 (Good Health and Well-being) by contributing to the development of biologically active compounds with potential therapeutic applications.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149034909","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Conversion of spent coffee waste into sulfonated hydrochar by hydrothermal assisted acid activation: statistical modeling for methylene blue dye removal 用水热辅助酸活化法将咖啡废渣转化为磺化氢炭：亚甲基蓝染料去除的统计模型

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-09-21 DOI: 10.1007/s13738-026-03638-0

Ali H. Jawad, Hasan M. Agha, Ahmad Hapiz

{"title":"Conversion of spent coffee waste into sulfonated hydrochar by hydrothermal assisted acid activation: statistical modeling for methylene blue dye removal","authors":"Ali H. Jawad, Hasan M. Agha, Ahmad Hapiz","doi":"10.1007/s13738-026-03638-0","DOIUrl":"10.1007/s13738-026-03638-0","url":null,"abstract":"<div><p>Herein, spent coffee (SC) waste was converted into sulfur functionalized hydrochar (SC-HTS) <i>via</i> hydrothermal-assisted sulfuric acid activation. SC-HTS was utilized for methylene blue (MB) dye adsorption. The adsorption investigation setup was statistically optimized using a Box-Behnken design (BBD) involving formulating three input parameters: SC-HTS dose (<b>A</b>: 0.02–0.06 g/0.1 L), pH of the MB solution (<b>B</b>: 4–10), and contact time (<b>C</b>: 20–120 min). The desirability function identified the optimum conditions for MB removal, achieving an experimental removal efficiency of 99.1% at an SC-HTS dose of 0.06 g/0.1 L, pH 9, and a contact time of 119 min. The adsorption equilibrium data were best described by the Langmuir isotherm model, indicating predominantly monolayer adsorption of MB onto the SC-HTS surface. The maximum adsorption capacity of MB dye onto the SC-HTS surface was determined by the Langmuir isotherm model to be 244.5 mg/g at 25 ± 2 °C. Hence, the conversion of spent coffee waste into the functionalized adsorbent of SC-HTS successfully adopts a circular economy approach, offering dual advantages in solid waste management and the removal of synthetic cationic dyes.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149034808","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Integrating adsorption and artificial intelligence with k-nearest neighbors-fitness-distance balance-Lévy flight distribution algorithm: a new paradigm for phosphate removal 结合吸附和人工智能的k-最近邻-适应度-距离平衡- lsamvy飞行分布算法：一种去除磷酸盐的新范式

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-09-21 DOI: 10.1007/s13738-026-03632-6

Mounira Elhachmi, Derradji Chebli, Abdallah Bouguettoucha, Zoubida Chemat-Djenni, Abdeltif Amrane

{"title":"Integrating adsorption and artificial intelligence with k-nearest neighbors-fitness-distance balance-Lévy flight distribution algorithm: a new paradigm for phosphate removal","authors":"Mounira Elhachmi, Derradji Chebli, Abdallah Bouguettoucha, Zoubida Chemat-Djenni, Abdeltif Amrane","doi":"10.1007/s13738-026-03632-6","DOIUrl":"10.1007/s13738-026-03632-6","url":null,"abstract":"<div><p>Calcined MgZnCoAl-LDH and ZnAl-LDH were synthesised via a co-precipitation method and comparatively evaluated for phosphate adsorption in order to investigate the effect of LDH composition on adsorption performance. The materials were characterised using XRD, BET, FTIR, and SEM. Comparative analysis revealed different adsorption behaviours for the two materials, with ZnAl-C exhibiting a higher maximum adsorption capacity (61.74 mg g<sup>–1</sup>) than MgZnCoAl-C. The adsorption kinetics were best described by the pseudo-second-order model, while the equilibrium data were well fitted by the Sips isotherm model. Thermodynamic analysis indicated that phosphate adsorption onto both LDHs was spontaneous and exothermic. A statistical physics-based multilayer model was subsequently employed to investigate the adsorption mechanism, including surface orientation and multilayer formation. The results revealed a mixed (parallel/non-parallel) adsorption orientation for MgZnCoAl-C and a predominantly non-parallel orientation for ZnAl-C, with the total number of phosphate layers (nt) ranging from 2.01 to 3.45, confirming the favourable effect of temperature on adsorption capacity. Finally, an artificial intelligence model based on k-nearest neighbours (KNN) coupled with the improved Levy flight distribution algorithm (FDB-LFD) was developed to predict adsorption performance. The model demonstrated excellent predictive accuracy, achieving an R<sup>2</sup> value of 0.9781 and an RMSE of 2.94. Furthermore, a user-friendly Python-based interface incorporating the FDB-LFD algorithm was developed to optimise adsorption conditions and predict the maximum adsorption capacity.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149034809","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Nanomaterial-based remediation of industrial wastewater: trends, mechanisms, and challenges in heavy metal removal 基于纳米材料的工业废水修复：重金属去除的趋势、机制和挑战

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-09-21 DOI: 10.1007/s13738-026-03634-4

Sweta Bhardwaj, Rajni Garg, Meenakshi Devi, Ravneet Kaur, Manoj Bali, Ravinesh Mishra, Rishav Garg, Nnabuk Okon Eddy

{"title":"Nanomaterial-based remediation of industrial wastewater: trends, mechanisms, and challenges in heavy metal removal","authors":"Sweta Bhardwaj, Rajni Garg, Meenakshi Devi, Ravneet Kaur, Manoj Bali, Ravinesh Mishra, Rishav Garg, Nnabuk Okon Eddy","doi":"10.1007/s13738-026-03634-4","DOIUrl":"10.1007/s13738-026-03634-4","url":null,"abstract":"<div><p>Heavy metal ions are ubiquitous in water resources, toxic, and tend to bioaccumulate. Therefore, they represent a serious threat to the environment and to human health. The use of conventional treatment processes such as coagulation-flocculation, membrane separation, chemical precipitation and ion exchange processes has limitations, especially at low metal concentrations, when the effectiveness and economic viability of such processes are reduced. Recently, nanomaterials have been identified as promising remediation materials for the removal of heavy metals, due to their special physicochemical properties, including high surface area, controlled morphology and increased surface reactivity. Nanomaterials have been known to show significant efficiency for the adsorption of toxic metal ions, catalytic degradation and transformation of toxic metal ions. Additionally, their scope of application has grown with functionalization and hybridization, giving them higher selectivity, stability and regeneration capacity in complex aqueous matrices. However, there are still some issues related to the implementation in large-scale municipal wastewater treatment plants, environmental compatibility and sustainability. This review critically discusses the process, synthesis, and mechanism of heavy metal ion removal from wastewater by nanomaterials. It targets adsorption behaviour, regeneration properties and multifunctional performances that will help to pinpoint knowledge gaps and support the design of sustainable water treatment solutions based on nanotechnology.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149034810","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Aqueous extract of Nasturtium officinale: a potential therapeutic approach to be explored in the fight against multidrug-resistant Pseudomonas aeruginosa 旱金莲水提取物：一种潜在的治疗方法，在对抗多重耐药铜绿假单胞菌的斗争中有待探索

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-09-19 DOI: 10.1007/s13738-026-03587-8

Chenyu Li, Chen Liu

{"title":"Aqueous extract of Nasturtium officinale: a potential therapeutic approach to be explored in the fight against multidrug-resistant Pseudomonas aeruginosa","authors":"Chenyu Li, Chen Liu","doi":"10.1007/s13738-026-03587-8","DOIUrl":"10.1007/s13738-026-03587-8","url":null,"abstract":"<div><p>The rise in global bacterial resistance has made the development of new therapies an urgent challenge, positioning <i>Pseudomonas aeruginosa</i> as a critical priority pathogen. In this context, phytotherapy stands out due to the wide diversity of bioactive compounds with antimicrobial potential. Thus, the present study evaluated the antibacterial and antibiofilm efficacy of an aqueous watercress (<i>Nasturtium officinale</i>) extract against eight <i>P. aeruginosa</i> strains (one ATCC standard strain and seven multidrug-resistant clinical isolates), in addition to assessing its cytotoxicity in human keratinocytes (HaCat). The extract was phytochemically characterized by MALDI-TOF. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) were determined by microdilution using the M7-A9 protocol (CLSI). Activity against 48-hour-old mature biofilms (at concentrations of 50, 100, and 200 mg/mL) and cell viability in HaCat cells were measured using the MTT colorimetric assay. Phytochemical analysis revealed the predominant presence of glucosinolates (gluconasturtiin and phenethyl isothiocyanate) and flavonoids. MIC and MBC values ranged from 12.5 mg/mL to 50 mg/mL. In the biofilm model, the extract significantly reduced bacterial metabolic viability in all strains, surpassing the efficacy of the antiseptic chlorhexidine (CHX) in the wild-type isolates (S2, S3, and S5). In cytotoxicity assays, the 50 mg/mL concentration proved to be biocompatible, maintaining keratinocyte viability above 90%. Thus, the aqueous extract of <i>N. officinale</i> demonstrated promising antimicrobial activity against planktonic strains and biofilms of multidrug-resistant <i>P. aeruginosa</i>. The 50 mg/mL concentration establishes a safe and effective therapeutic window in vitro, paving the way for future in vivo trials.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s13738-026-03587-8.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148986958","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Acceptor engineering of D–A–D organic photovoltaic molecules for enhanced optoelectronic and photovoltaic performance: a DFT and TD-DFT investigation D-A-D有机光伏分子的受体工程用于增强光电和光伏性能：DFT和TD-DFT的研究

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-09-19 DOI: 10.1007/s13738-026-03625-5

Roman Azeem, Muhammad Ramzan Saeed Ashraf Janjua

{"title":"Acceptor engineering of D–A–D organic photovoltaic molecules for enhanced optoelectronic and photovoltaic performance: a DFT and TD-DFT investigation","authors":"Roman Azeem, Muhammad Ramzan Saeed Ashraf Janjua","doi":"10.1007/s13738-026-03625-5","DOIUrl":"10.1007/s13738-026-03625-5","url":null,"abstract":"<div><p>This study reports theoretical investigation of series of D-A-D organic photovoltaic (OPVs) molecules, which are designed by acceptor engineering of reference R(TT-TTPA) molecule to improve optoelectronic and photovoltaic properties. Acceptor moieties were systematically modified to improve intramolecular charge transfer, light absorption and charge-transport properties, leading to systematic development of four new derivatives, TTPA01-TTPA04. The calculations carried out with Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) methods at CAM-B3LYP/6-31G(d,p) level in chloroform as a solvent. Frontier molecular orbitals, density of states, global reactivity descriptors, transition density matrix (TDM), dipole moment, open-circuit voltage (V<sub>OC</sub>), fill factor, and exciton binding energy calculated. Designed molecules displayed lower energy band gaps than reference R(TT-TTPA) molecule, which means that they have better charge transfer ability and better photovoltaic potential. TTPA02 had lowest bandgap (1.5263 eV) highest electrophilicity and strongest charge-transfer ability among all derivatives, while TTPA04 had most significant redshift in absorption and lowest excitation energy. The highest V<sub>OC</sub> and fill factor of TTPA03 indicated better device efficiency. Overall, acceptor modification significantly improved electronic and optical assets of designed systems, highlighting their strong potential promising candidates for next-generation high-efficiency organic solar cells (OSCs) applications.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148986959","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Pyridin-4-ylmethyl-5-bromothiophene-2-carboxylates as potential antiseizure molecules: Pd- catalyzed Suzuki–Miyaura synthesis, dual GABAA/SV2A targeting, EEG analysis and pharmacokinetic insights 吡啶-4-基甲基-5-溴噻吩-2-羧酸盐作为潜在的抗癫痫分子：Pd催化的Suzuki-Miyaura合成，双GABAA/SV2A靶向，EEG分析和药代动力学见解

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-09-19 DOI: 10.1007/s13738-026-03633-5

Labiqa Aman, Muhammad Iftikhar Shoukat, Ayesha Malik, Nasir Rasool, Aqsa Kanwal, Imran Imran, Farhan Siddique, Muhammad Imran

{"title":"Pyridin-4-ylmethyl-5-bromothiophene-2-carboxylates as potential antiseizure molecules: Pd- catalyzed Suzuki–Miyaura synthesis, dual GABAA/SV2A targeting, EEG analysis and pharmacokinetic insights","authors":"Labiqa Aman, Muhammad Iftikhar Shoukat, Ayesha Malik, Nasir Rasool, Aqsa Kanwal, Imran Imran, Farhan Siddique, Muhammad Imran","doi":"10.1007/s13738-026-03633-5","DOIUrl":"10.1007/s13738-026-03633-5","url":null,"abstract":"<div><p>Epilepsy remains a serious neurological condition for which a large number of patients show resistance to current antiepileptic medications. In this study, a series of novel pyridin-4-ylmethyl-5-bromothiophene-2-carboxylate derivatives (5a-5h) were designed and synthesized using an efficient Suzuki–Miyaura cross-coupling approach to explore their anticonvulsant potential. The afforded compounds were structurally characterized using spectroscopic techniques and evaluated through multiple in vivo seizure models, including pentylenetetrazole (PTZ), maximal electroshock seizure (MES), and 6 Hz psychomotor assays. Among the tested compounds, derivative 5g demonstrated the most potent anticonvulsant activity, significantly delaying seizure onset, reducing seizure severity, and providing substantial protection against mortality in the PTZ model, along with partial efficacy in MES and 6 Hz models. Electroencephalography (EEG) analysis further confirmed its ability to attenuate epileptiform discharges and cortical hyperexcitability. Molecular docking studies demonstrated favorable binding interactions of active sites, particularly 5g, with SV2A and GABAA receptor targets, comparable to standard drugs. In silico ADMET profiling indicated good drug-like properties and high gastrointestinal absorption, although blood-brain barrier permeability varied across the series.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148986957","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Comparative study of thin film microextraction and stir bar sorptive extraction using ZnO-polyethersulfone nanocomposite for sumatriptan determination zno -聚醚砜纳米复合材料薄膜微萃取法与搅拌棒吸附萃取法测定苏马匹坦的比较研究

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-09-18 DOI: 10.1007/s13738-026-03630-8

Zahra Ayazi, Nazila Fattahzadeh, Samira Pashayi Sarnaghi

{"title":"Comparative study of thin film microextraction and stir bar sorptive extraction using ZnO-polyethersulfone nanocomposite for sumatriptan determination","authors":"Zahra Ayazi, Nazila Fattahzadeh, Samira Pashayi Sarnaghi","doi":"10.1007/s13738-026-03630-8","DOIUrl":"10.1007/s13738-026-03630-8","url":null,"abstract":"<div><p>A comparative evaluation of thin-film microextraction (TFME) and stir bar sorptive extraction (SBSE) was carried out to assess their extraction efficiencies for sumatriptan, followed by its determination using high-performance liquid chromatography (HPLC). A monolithic and porous ZnO–polyethersulfone (ZnO/PES) nanocomposite (NC) was synthesized via a solvent blending approach by incorporating ZnO nanoparticles into a PES matrix. The phase separation method was employed to fabricate the ZnO/PES NC in thin-film form, while the SBSE device was prepared by solvent exchange onto a stainless-steel support. The synthesized NC was characterized using scanning electron microscopy (SEM), thermogravimetric analysis (TGA), and X-ray diffraction (XRD). Key parameters affecting extraction and desorption efficiencies were optimized using a one-variable-at-a-time strategy. The analytical performances of TFME and SBSE were systematically compared in terms of limit of detection (LOD), limit of quantification (LOQ), and linear dynamic range (LDR). The LODs achieved for TFME and SBSE were 0.5 and 1 ng mL⁻¹, respectively, while the corresponding LOQs were 1.75 and 3.5 ng mL⁻¹. The LDRs for TFME were 1.75–20 ng mL⁻¹ and 20–1000 ng mL⁻¹, whereas those for SBSE were 3.5–100 ng mL⁻¹ and 100–1000 ng mL⁻¹. The precision of the methods, expressed as relative standard deviation (RSD%), was below 6.2% for TFME and 2.2% for SBSE. Finally, the applicability of the developed TFME-HPLC and SBSE-HPLC methods was successfully demonstrated for the determination of sumatriptan in biological and environmental matrices, including human plasma, urine, and wastewater. Relative recoveries ranged from 80.8 to 105.9% for TFME-HPLC and 83.6 to 106.0% for SBSE-HPLC, confirming the reliability and practical applicability of both miniaturized extraction approaches for real-sample analysis.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148987134","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Citric acid-modified corn straw for enhanced adsorption of Rhodamine B 柠檬酸改性玉米秸秆对罗丹明B的增强吸附

IF 2.4 4区化学

Journal of the Iranian Chemical Society Pub Date : 2026-09-18 DOI: 10.1007/s13738-026-03631-7

Yinghua Song, Rong Peng, Hui Xu

{"title":"Citric acid-modified corn straw for enhanced adsorption of Rhodamine B","authors":"Yinghua Song, Rong Peng, Hui Xu","doi":"10.1007/s13738-026-03631-7","DOIUrl":"10.1007/s13738-026-03631-7","url":null,"abstract":"<div><p>Industrial dyes such as Rhodamine B (RhB) are toxic and recalcitrant, causing serious environmental pollution and health concerns. To address this, we prepared a cost-efficient adsorbent through citric acid (CA) modification of corn straw, denoted as CCS, for effective RhB sequestration from aqueous media. The introduction of carboxyl groups was evidenced by FTIR and pHpzc measurements, which markedly improved the material’s adsorption capability. Batch trials were conducted to evaluate the effects of pH, particle size, contact time, temperature, and initial dye level. The optimal conditions were identified as pH 4.0, a particle size below 0.55 mm, and a contact time of 300 min. At 318 K, the Langmuir fit gave a maximum uptake of 46.10 mg·g<sup>−1</sup>. The adsorption is mainly governed by electrostatic attraction, possibly complemented by hydrogen bonding and pore filling; kinetic and isotherm models are used as empirical tools for data description, while thermodynamic parameters confirm the physisorption-dominated mechanism. Thermodynamic quantities (ΔG < 0, ΔH > 0, ΔS > 0) pointed to a spontaneous and endothermic nature. Additionally, CCS exhibited durable reusability, retaining 86% of the original efficiency across three consecutive reuse cycles. Given its abundant availability, low production cost, and outstanding adsorption performance, CCS emerges as a highly promising candidate for practical remediation of dye-contaminated wastewater.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 10","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148986614","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0