Chinese Journal of Analytical Chemistry最新文献

{"title":"Integrate HPLC-Q-TOF-MS/MS technology and bioinformatics methods to reveal the potential active ingredients and mechanism of action of Yankening Tablets in the treatment of enteritis","authors":"Gao QIU,&nbsp;Minlian HUANG,&nbsp;Zuyu YE,&nbsp;Yanmei ZHONG,&nbsp;Jincheng ZHOU,&nbsp;Shu ZHANG,&nbsp;Chuqin YU","doi":"10.1016/j.cjac.2025.100648","DOIUrl":"10.1016/j.cjac.2025.100648","url":null,"abstract":"<div><h3>Aim of the study</h3><div>Yankening Tablets (YKNT) had a potential therapeutic effect on enteritis, but its main active ingredients and possible mechanism of action were still unclear. The purpose of this study was to analyze the main chemical substances of YKNT, and to study its important components, targets, and pathways that played an anti-enteritis role.</div></div><div><h3>Materials and methods</h3><div>In this study, high performance liquid chromatography-quadrupole time-of-flight tandem mass spectrometry (HPLC-Q-TOF-MS/MS) was used to analyze the chemical constituents of YKNT, and the potential targets of YKNT active chemical components for treating enteritis were predicted through TCMSP. The protein interaction network of potential targets was constructed. Subsequently, Venn was used establish a common target for active compound targets and enteritis targets, and a protein-protein interaction (PPI) network was constructed. In addition, the Metascape database was used to perform gene ontology (GO) and kyoto encyclopedia of genes and genomes (KEGG) signaling pathway enrichment analysis on the selected core targets to obtain key targets and pathways. The cross-targets were verified by molecular docking and dynamics simulation.</div></div><div><h3>Results</h3><div>A total of 40 compounds were identified in YKNT, including various flavonoids and amino acids, and 123 active ingredients collected in TCMSP were crossed to obtain a total of 9 active ingredients. The molecular docking results indicated that the active chemical components of YKNT had high affinity for cross targets and could stably bind. The molecular dynamics simulation results indicated that Obacunone PIK3CA, Baicalein PRKACA, and Berlambine PIK3R1 had good binding ability, and the KEGG binding results suggested that YKNT might treat enteritis through the PI3K-Akt signaling pathway. Among them, HSP901 was a key target identified by YKNT through network pharmacology.</div></div><div><h3>Conclusions</h3><div>In summary, our study showed that YKNT treated enteritis by regulating HSP90AB1 and PI3K-Akt signaling pathways. It provided an important reference for identifying the chemical constituents of YKNT and its mechanism of action in the treatment of enteritis.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 11","pages":"Article 100648"},"PeriodicalIF":1.3,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145425199","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}

{"title":"Eco-friendly optical sensor for detecting bismuth(III) ions in environmental, pharmaceutical, and biological sources","authors":"Ahmed H. ALANAZI ,&nbsp;Amnah S AL-ZBEDY ,&nbsp;Refat EL-SAYED ,&nbsp;Khaled F. DEBBABI ,&nbsp;Alaa S. AMIN","doi":"10.1016/j.cjac.2025.100591","DOIUrl":"10.1016/j.cjac.2025.100591","url":null,"abstract":"<div><div>A highly responsive bulk optical sensor (optode) has been introduced for the detection of bismuth [Bi(III)]. This optode integrates sodium tetraphenylborate (NaTPB) and 2-(benzothiazolylazo)1,6-naphthalenediol (BTAND) into a plasticized polyvinyl chloride (PVC) membrane, incorporating o-nitrophenyl-octyl ether (o-NPOE) as a plasticizer. The influence of several variables was optimized, including pH, the solvent mediator base matrix, and the reagent concentration. The comparison of results with previously reported methods indicates that the proposed approach, characterized by its speed and simplicity, offers a low detection limit (2.25 ng/mL) and a favorable linear range (7.5–220 ng/mL). The sensor exhibited stability, remaining unchanged even after being stored for at least one month. The sensor was successfully regenerated using a 0.25 M nitric acid (HNO₃) solution, and it responded in a reversible manner with an RSD of &lt; 2.15 % for six replicate measurements of 125 ng/mL of Bi(III) in different membranes. The capability to accurately and consistently monitor the quantity of Bi(III) ions in pharmaceutical and environmental samples with complex matrices is facilitated by the low detection limit and superior selectivity, despite the existence of interfering anions and cations.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 11","pages":"Article 100591"},"PeriodicalIF":1.3,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145334699","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}

{"title":"Beyond chemistry: A multidimensional approach to assessing Cortex fraxini","authors":"Zhiruo JIA ,&nbsp;Yuanle SHEN ,&nbsp;Liping SU ,&nbsp;Peng WANG ,&nbsp;Junpeng YU ,&nbsp;Jiaxin WANG ,&nbsp;Lulu TAN ,&nbsp;Qiming PAN ,&nbsp;Hailing YANG ,&nbsp;Jianfang FENG ,&nbsp;Zhenjie LIU","doi":"10.1016/j.cjac.2025.100593","DOIUrl":"10.1016/j.cjac.2025.100593","url":null,"abstract":"<div><div>Traditional chemical analysis methods for evaluating the quality of traditional Chinese medicine (TCM), such as <em>Cortex fraxini</em> (<em>C. fraxini</em>), often fail to comprehensively address spectrum–effect, dose–effect, and toxicity–effect relationships, limiting their ability to predict clinical efficacy and safety. To overcome this challenge, this study introduces the effect–constituent index (ECI), a novel metric integrating multidimensional chemical composition data and bioactivity-based weighting strategies for holistic quality assessment. Focusing on the antioxidant properties of <em>C. fraxini</em>, we established a high-performance liquid chromatography (HPLC) fingerprint profile to quantify four key bioactive components (esculin, fraxin, esculetin, and fraxetin) and evaluated their antioxidant capacities via 1,1-diphenyl-2-picrylhydrazyl (DPPH) and 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical-scavenging assays. The ECI framework revealed significant variability in antioxidant potential across 38 batches, with batches S13, S16, and S11 exhibiting the highest DPPH- and ABTS-based ECI values, while S10, S35, and S14 consistently ranked lowest. Validation experiments confirmed a strong correlation between calculated ECI values and experimentally determined antioxidant activities, although certain batches (<em>e.g.</em>, S11, S13, S15, S16) demonstrated higher measured bioactivity than predicted. This study successfully bridges chemical composition with therapeutic efficacy by establishing concentration–effect relationships for active constituents, offering a robust and innovative tool for advancing quality control paradigms in herbal medicine. The ECI model provides a scientific foundation for optimizing the safety, efficacy, and standardization of TCM.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 11","pages":"Article 100593"},"PeriodicalIF":1.3,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145334702","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}

{"title":"Simultaneous detection of Ti/Zn content in sunscreens using calcination-assisted fiber laser induced breakdown spectroscopy","authors":"Shudi ZHANG ,&nbsp;Qingtian XIAO ,&nbsp;Binbin XU ,&nbsp;Fangfang CHEN ,&nbsp;Gueyhorng WANG ,&nbsp;Zhisen LIANG ,&nbsp;Zhouyi XU","doi":"10.1016/j.cjac.2025.100598","DOIUrl":"10.1016/j.cjac.2025.100598","url":null,"abstract":"<div><div>An acid-free, simple and cost-effective laser induced breakdown spectroscopy (LIBS) analytical strategy was proposed to detect TiO₂/ZnO content in sunscreens by a low-irradiance fiber laser (0.15 GW/cm²). Samples and standards, which were simply prepared by mixing pure TiO₂/ZnO with different ratios, were incinerated and pressed into tablets and analyzed by normal calibration curve method and modified one-point multi-line calibration (OP-MLC) methods. Analytical performance of calibration curve linearity, limit of detection (LOD) and recovery rate (RR) was evaluated, and method validation was carried out by comparing detection results of commercial products with those from routine methods and calculating the detection precision (relative standard deviation) and accuracy (relative quantification error). By normal LIBS method, Calibration curve linearity generally reached the level of 0.99, and LOD and RR were evaluated to be 0.046 mg/g and 119.5 % for Ti and 0.473 mg/g and 115.0 % for Zn, which is sufficient in analyzing commercial sunscreen products. However, its precision (12.88 %) and accuracy (23.82 %) were relatively low, which was ascribed to the matrix effect derived from the difference of TiO₂ concentration after examining the ablation spot, plasma temperature and electron density. To correct it, the modified OP-MLC method took the plasma parameters into calculation, which resulted in better RR (101.09 % for Ti and 97.30 % for Zn) and nearly two times of precision (7.77 %) and accuracy (11.16 %) improvement than normal LIBS method due to the application of multiple lines to resist the signal fluctuation of repetitive measurements. However, it may not be applicable when detecting analytes of low concentration due to the potential disappearance of low intensity lines. Therefore, the combination of these two methods is viable to perform successful determination of Ti/Zn contents in sunscreens.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 11","pages":"Article 100598"},"PeriodicalIF":1.3,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145425145","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}

{"title":"Development and validation of simultaneous quantitative analytical method for emerging contaminants in animal-derived foods using ultra performance liquid chromatography-tandem mass spectrometry","authors":"Bolin LIU ,&nbsp;Ziyue ZHAN ,&nbsp;Qi ZHANG ,&nbsp;Yu LIU ,&nbsp;Yanyu DAI ,&nbsp;Ji'an XIE ,&nbsp;Qianwen MENG ,&nbsp;Ziwei ZHAO","doi":"10.1016/j.cjac.2025.100592","DOIUrl":"10.1016/j.cjac.2025.100592","url":null,"abstract":"<div><div>Illegal and overuse of veterinary drugs, such as antibiotics, tranquilizers, and environmental pollution caused by the widespread use of per- and polyfluoroalkyl substances (PFAS) products are two concerned topics. They have caused food safety issues and seriously threaten human health. It is urgent to increase the monitoring of residues in foods. Employing enhanced matrix removal lipid (EMR-Lipid) as solid-phase extraction coupled with ultra performance liquid chromatography-tandem mass spectrometry, a simple, rapid, highly accurate, quantitative method was developed for the determination of antibiotics, PFAS and drug in animal derived foods. The extraction solvent, cleanup method and other conditions that affect the accuracy and sensitivity of the method were optimized. Under the optimal conditions, the analytes showed good linearity within their respective concentration ranges, with linear correlation coefficients (<em>R</em>²) ranging from 0.9911 to 0.9999. The method detection limits (S/<em>N</em> = 3) were 0.025 to 5.0 µg/kg, and the limits of quantification were 0.075 to 15.0 µg/kg. At concentration levels of 1, 2, and 10 times the limit of quantification, the average spiked recoveries of the 103 analytes in different matrices were 60.0 % to 119 %, and the relative standard deviations (RSDs) were 0.042 % to 19.8 %. This developed method was successfully applied to analyze 103 emerging contaminants at trace levels in the real food sample.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 11","pages":"Article 100592"},"PeriodicalIF":1.3,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145334701","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}

{"title":"Recycling spent black tea as a novel heterogeneous acidic catalyst for efficient biodiesel production from waste cooking oil: Optimization, kinetics, and thermodynamic insights","authors":"May N. Bin JUMAH ,&nbsp;Ahmed M. El-SHERBEENY ,&nbsp;Amna M. FARHAN ,&nbsp;Ahmed A. ALLAM ,&nbsp;Wail Al ZOUBI ,&nbsp;Mostafa R. ABUKHADRA","doi":"10.1016/j.cjac.2025.100594","DOIUrl":"10.1016/j.cjac.2025.100594","url":null,"abstract":"<div><div>This study explores the potential of spent black tea (S.BT) as a heterogeneous acidic catalyst for biodiesel production from waste cooking oil (WCO) via transesterification. S.BT, a waste material, was sulfonated without carbonization, resulting in a catalyst with enhanced catalytic properties. The catalyst was characterized for key physicochemical properties, including an acid density of 34.6 mmol/g, surface area of 58.3 m²/g, and sulfur content of 3.14 wt%. Under optimal reaction conditions—50 °C, 70 min, 3 wt% S.BT catalyst loading, and a methanol/oil ratio of 10:1—transesterification of WCO with methanol yielded biodiesel with a maximum conversion of 97.3 %. A statistical optimization approach using response surface methodology (RSM) demonstrated that biodiesel yield can be increased to over 99 % by adjusting factors such as temperature, catalyst loading, and methanol/oil ratio. Kinetic analysis revealed that the transesterification followed pseudo-first-order kinetics with an activation energy (<em>E</em>_a) of 34.3 kJ/mol, indicating the reaction proceeds efficiently at moderate temperatures. The thermodynamic analysis, using the Eyring-Polanyi equation, revealed a positive activation enthalpy (Δ<em>H</em>* = 31.76 kJ/mol), indicating the endothermic nature of the process, and a positive entropy (Δ<em>S</em>* = 18.36 J/K·mol), reflecting increased disorder at the transition state. Gibbs free energy (Δ<em>G</em>*) values ranged from –5.35 kJ/mol at 30 °C to –5.71 kJ/mol at 50 °C, confirming the thermodynamic feasibility of the reaction at elevated temperatures. The biodiesel produced met international fuel standards (ASTM <span><span>D6751</span><svg><path></path></svg></span> and EN 14214), with a cetane number of 65.3, flash point of 152.3 °C, viscosity of 3.62 mm²/s, and density of 0.837 g/cm³, confirming its suitability for diesel engines. These results underscore the efficiency, sustainability, and cost-effectiveness of S.BT as a catalyst for biodiesel production.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 11","pages":"Article 100594"},"PeriodicalIF":1.3,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145334703","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}

{"title":"Combining network pharmacology and computational approaches for screening of apiaceae-derived phytochemicals as inhibitors of DNA polymerase III in streptococcus pyogenes causing streptococcal toxic shock syndrome","authors":"Muhammad NAVEED ,&nbsp;Muhammad ASIM ,&nbsp;Tariq AZIZ ,&nbsp;Mehak AYYAZ ,&nbsp;Shumaila IBRAHIM ,&nbsp;Muhammad Nouman MAJEED ,&nbsp;Ayaz Ali KHAN ,&nbsp;Ammena Y. BINSALEH ,&nbsp;Nawal AL-HOSHANI ,&nbsp;Maher S. ALWETHAYNANI ,&nbsp;Fakhria A. AL-JOUFI ,&nbsp;Deema FALLATAH","doi":"10.1016/j.cjac.2025.100632","DOIUrl":"10.1016/j.cjac.2025.100632","url":null,"abstract":"<div><div><em>Streptococcus pyogenes</em> (<em>S. pyogenes</em>), a pathogen responsible for various severe infections, including streptococcal toxic shock syndrome (STSS), poses a significant therapeutic challenge worldwide. This study aims to explore the structural and functional properties of the DNA polymerase III subunit beta of <em>S. pyogenes</em>, identify potential phytochemical inhibitors, and evaluate their drug-like properties using computational methods. The DNA polymerase III subunit beta of <em>S. pyogenes</em> was successfully characterized, and its interactions with 60 phytochemicals from the Apiaceae family were predicted. ADMET analysis indicated that several compounds possessed desirable properties, including good solubility and high drug-likeness. Alpha-carotene emerged as a lead candidate exhibiting promising binding affinity and favorable interactions in docking studies. Additionally, to enhance the potency of the target compound, fragment optimization was performed, resulting in the development of a novel lead compound. Toxicity analysis indicated a low risk for adverse effects. Moreover, molecular dynamics simulations revealed that Alpha-carotene and DNA polymerase-III maintained stability with RMSD values below 4.3 Å. RMSF analysis showed significant flexibility in specific regions, reflecting effective interactions and increased stability over time. Overall, this study provides a comprehensive assessment of the DNA polymerase III subunit beta of <em>S. pyogenes</em> and its interactions with potential phytochemical inhibitors. Alpha-carotene, in particular, demonstrates significant potential as a therapeutic agent against <em>S. pyogenes</em> infections. These findings require further experimental validation for the potential development of novel antimicrobial agents against <em>S. pyogenes</em>.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 11","pages":"Article 100632"},"PeriodicalIF":1.3,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145334158","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}

{"title":"Isolation and structural elucidation of an unknown novel impurity in sulfasalazine by high performance liquid chromatography coupled to mass spectroscopy and toxicology prediction","authors":"K. Krishna MOHAN ,&nbsp;T.B. PATRUDU ,&nbsp;Gowri Sankararao BURLE ,&nbsp;Suresh SALAKOLUSU ,&nbsp;Pericharla Venkata Narasimha RAJU ,&nbsp;Sreekantha Babu JONNALAGADDA ,&nbsp;Naresh Kumar KATARI","doi":"10.1016/j.cjac.2025.100601","DOIUrl":"10.1016/j.cjac.2025.100601","url":null,"abstract":"<div><div>Sulfasalazine is authorised for the management of long-term inflammatory conditions, including ulcerative colitis as well as juvenile and adult rheumatoid arthritis. Using high performance liquid chromatography analysis, one unknown impurity with a level greater than 0.2% was found in prototype batches of sulfasalazine during production. The intended impurity under investigation eluted at retention time of around 33 min and had a relative retention time value of 1.79. Preparative high performance liquid chromatogram was used to isolate this unknown impurity from the crude sulfasalazine. A thorough examination of the ¹H-nuclear magnetic resonance spectroscopy (¹H-NMR) and mass spectrometry (MS) data revealed the structure of the novel impurity. The management of new impurity creation and the potential molecular pathways leading to its formation were also examined. A new sulfasalazine impurity was characterized and toxicology prediction data was also obtained.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 11","pages":"Article 100601"},"PeriodicalIF":1.3,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145474292","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}

{"title":"Hydrothermally tailored hematite nanorods for photo-fenton degradation of 4-nitrophenol: Influence of morphology on catalytic mechanism and environmental safety","authors":"Mashael D. Alqahtani ,&nbsp;Dina Mostafa ,&nbsp;Nabila Shehata ,&nbsp;May N. Bin Jumah ,&nbsp;Nahaa M. Alotaibi ,&nbsp;Hassan A. Rudayni ,&nbsp;Ahmed A. Allam ,&nbsp;Mostafa R. Abukhadra","doi":"10.1016/j.cjac.2025.100585","DOIUrl":"10.1016/j.cjac.2025.100585","url":null,"abstract":"<div><div>Hematite rod nanoparticles were synthesized by alkaline hydrothermal modification of natural laterite for different durations (12, 24, 36, and 48 h). The impact of the modification duration on the morphology and physicochemical properties of the resulting modified varieties of hematite (H.12, H.25, H.36, and H.48) was assessed using different analytic techniques. The four derivatives were applied as potential catalysts during the decontamination of hazardous 4-nitrophenol (4-NP) by photo-Fenton’s oxidation. The modified H.36 displayed the best geometry as nanorods, the highest surface area (154.7 m²/g), and the most effective catalytic performances. The incorporation of H.36 at a dose of 0.4 g/L resulted in complete oxidation for the investigated 4-nitrophenol contaminants within 80 min (5 mg/L), 120 min (10 mg/L), and 180 min (15 mg/L). The mineralization studies validated the successful transformation of 4-NP molecules (5 mg/L) into safe end products over H.36 within 160 min. The mineralization pathway ended by the formation of H₂O, CO₂, NO₂⁻, and NO₃⁻ after a series of oxidation reactions involved interaction with the release of hydroxyl radicals and generation of different intermediaries (<em>p</em>-benzoquinone, hydroquinone, 4-aminophenol, and acetic acid). The eco-toxicity studies for the treated solutions over different durations, considering both chronic (ChV &gt; 10) and acute toxicity (LC50 and EC50 &gt; 100), signify remarkable impact for the applied oxidation reactions using H.36 in reducing the toxicity of 4-NP and inducing the safety of the treated samples, especially after 160 min.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 10","pages":"Article 100585"},"PeriodicalIF":1.3,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144912435","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}

{"title":"Extraction of uranium (VI) with neutral organic phosphorus extractants: A calorimetric and spectroscopic comparison of di(1-methylheptyl) methylphosphonate vs. tri-n-butylphosphate","authors":"Yuyu Liang ,&nbsp;Xiang Xie ,&nbsp;Qingye Zhou ,&nbsp;Shufeng Zhao ,&nbsp;Xiang Li ,&nbsp;Chenchen Yuan ,&nbsp;Zeng Huang ,&nbsp;Jun Tu ,&nbsp;Xingliang Li","doi":"10.1016/j.cjac.2025.100583","DOIUrl":"10.1016/j.cjac.2025.100583","url":null,"abstract":"<div><div>Both tri-<em>n</em>‑butyl phosphate and di(1-methylheptyl) methylphosphonate demonstrate exceptional extraction capabilities for ²³³U from irradiated thorium. While extensive literature exists regarding tri-<em>n</em>‑butyl phosphate-based extraction systems, comparative studies on di(1-methylheptyl) methylphosphonate remain notably limited. This systematic investigation provides a parallel comparison of the chemical behaviors between these two extractants under identical experimental conditions. Results reveal that the di(1-methylheptyl) methylphosphonate system exhibits enhanced hydrophobicity relative to tri-<em>n</em>‑butyl phosphate, correlating with reduced water co-extraction during the uranium recovery process. Raman spectroscopic analysis demonstrated about ∼30 cm^–1 shifts in the uranyl symmetric stretching vibration for di(1-methylheptyl) methylphosphonate complexes compared to ∼15 cm^–1 shifts of tri-<em>n</em>‑butyl phosphate complexes. This significant spectral displacement indicates stronger coordination bonding between phosphoryl oxygen of di(1-methylheptyl) methylphosphonate and uranyl ions. Isothermal titration calorimetry measurements quantified the extraction thermodynamics, yielding enthalpy changes of -12.83 kJ/mol and -11.32 kJ/mol for tri-<em>n</em>‑butyl phosphate and di(1-methylheptyl) methylphosphonate systems, respectively. Di(1-methylheptyl) methylphosphonate exhibits marginally less exothermic enthalpy despite its superior extraction efficiency. The counterintuitive observation suggests distinct thermodynamic compensation mechanisms. This likely involves more favorable entropy contributions in the di(1-methylheptyl) methylphosphonate extraction system and greater energy consumption during desolvation. This comprehensive comparison clarifies fundamental differences in extraction mechanisms between tri-<em>n</em>‑butyl phosphate and di(1-methylheptyl) methylphosphonate extractants, providing critical thermodynamic parameters for optimizing ²³³U recovery processes.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 10","pages":"Article 100583"},"PeriodicalIF":1.3,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144904178","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}