Microchemical Journal最新文献_第4页

Development and application of DNA hydrogels in biosensing: Current status and future implications

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2025-04-15 DOI: 10.1016/j.microc.2025.113664

Zhuo Chen , Kang Mao , Jiaqi Xue , Rida Feng , Kuankuan Zhang , Junxia Su , Wei Du , Jiabing Ran , Changying Yang , Zhugen Yang , Hua Zhang

As emerging biopolymer materials, DNA hydrogels quickly respond to external stimuli to specifically recognize DNA through base pairing and have become widely used in the field of biosensors. Unlike traditional biosensing strategies, biosensors based on DNA hydrogels are highly specific, programmable and degradable. In this work, based on the advantages and wide application of DNA hydrogels in the field of biosensors, the progress of DNA hydrogel biosensors is systematically summarized in terms of the types of DNA hydrogels, detection principles and biosensor device integration. First, the types of DNA hydrogels used in biosensors are briefly introduced. Next, we thoroughly demonstrate the detection principles of DNA hydrogel biosensors; the detection principles depend on the recognition elements, signal elements, and transduction types of the DNA hydrogel used in the biosensor. In particular, we demonstrate the great potential of integrated devices and techniques used in DNA hydrogel biosensors, such as microfluidics and portable devices. Finally, the challenges and future development of DNA hydrogels in biosensing are discussed. This work can be used as a reference for research on biosensing analysis using DNA hydrogels.

{"title":"Development and application of DNA hydrogels in biosensing: Current status and future implications","authors":"Zhuo Chen , Kang Mao , Jiaqi Xue , Rida Feng , Kuankuan Zhang , Junxia Su , Wei Du , Jiabing Ran , Changying Yang , Zhugen Yang , Hua Zhang","doi":"10.1016/j.microc.2025.113664","DOIUrl":"10.1016/j.microc.2025.113664","url":null,"abstract":"<div><div>As emerging biopolymer materials, DNA hydrogels quickly respond to external stimuli to specifically recognize DNA through base pairing and have become widely used in the field of biosensors. Unlike traditional biosensing strategies, biosensors based on DNA hydrogels are highly specific, programmable and degradable. In this work, based on the advantages and wide application of DNA hydrogels in the field of biosensors, the progress of DNA hydrogel biosensors is systematically summarized in terms of the types of DNA hydrogels, detection principles and biosensor device integration. First, the types of DNA hydrogels used in biosensors are briefly introduced. Next, we thoroughly demonstrate the detection principles of DNA hydrogel biosensors; the detection principles depend on the recognition elements, signal elements, and transduction types of the DNA hydrogel used in the biosensor. In particular, we demonstrate the great potential of integrated devices and techniques used in DNA hydrogel biosensors, such as microfluidics and portable devices. Finally, the challenges and future development of DNA hydrogels in biosensing are discussed. This work can be used as a reference for research on biosensing analysis using DNA hydrogels.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"213 ","pages":"Article 113664"},"PeriodicalIF":4.9,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143844810","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Novel calcium lactate-activated biochar derived from corn straw for tenuazonic acid removal: Adsorbent preparation, adsorption mechanisms, and real application

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2025-04-15 DOI: 10.1016/j.microc.2025.113583

Wan Hui Guo , Lei Ma , Xiao Hui Sun , Ying Ying Fan , Jia Bin Zhang , Ze Bo Zheng , Sheng Hong Liu

Alternaria in contaminated agricultural products can produce highly toxic tenuazonic acid (TeA). Due to its teratogenic, mutagenic, and carcinogenic effects, TeA seriously threatens human health. In this study, we synthesized a novel calcium lactate-modified adsorbent based on corn straw biochar (CLBC0.25-800) and investigated its performance in the removal of TeA from an aqueous solution and apple juice. CLBC0.25-800 was obtained using corn straw powder mixed with Ca lactate at a ratio of 1:4 and heated at 800℃ for 2 h, producing a large specific surface area (SSA) of 215.4440 m²∙g⁻¹ and pore volume of 0.1510 cm³∙g⁻¹. The large pore volume and large SSA, rich and irregular pore structure, and tubular cavity structure of CLBC0.25-800 were conducive to TeA adsorption. Batch experiments were conducted under different adsorbent doses, initial TeA concentrations, temperatures, and contact times. The results showed that 3 g/L of CLBC0.25-800 reacted with 25 mL of 0.100 mg/L TeA solution for 60 min achieved a high adsorption capacity of 0.0315 mg/g and a removal efficiency of 94.6 %. Moreover, to reveal the adsorption mechanism of CLBC0.25-800 for TeA, we studied the adsorption kinetics, isotherms, and thermodynamics. TeA was adsorbed on CLBC0.25-800 through pore adsorption, complexation between Ca²⁺ and TeA, and π–π interactions. The adsorption process was primarily homogeneous monolayer physical adsorption with secondary chemisorption. CLBC0.25-800 successfully adsorbed TeA in spiked apple juice without significant effects on the contents of sugar and organic acids. The findings provided a new strategy to adsorb TeA.

受污染农产品中的交链孢霉可产生剧毒的tenuazonic酸（TeA）。由于其致畸、致突变和致癌作用，TeA 严重威胁人类健康。在这项研究中，我们合成了一种基于玉米秸秆生物炭的新型乳酸钙改性吸附剂（CLBC0.25-800），并研究了其从水溶液和苹果汁中去除 TeA 的性能。CLBC0.25-800 由玉米秸秆粉末与乳酸钙按 1:4 的比例混合而成，在 800℃ 下加热 2 小时，可产生 215.4440 m2∙g-1 的大比表面积（SSA）和 0.1510 cm3∙g-1 的孔体积。CLBC0.25-800的大孔隙体积和大比表面积、丰富而不规则的孔隙结构以及管状空腔结构有利于TeA的吸附。在不同的吸附剂剂量、TeA 初始浓度、温度和接触时间下进行了批量实验。结果表明，3 g/L 的 CLBC0.25-800 与 25 mL 0.100 mg/L 的 TeA 溶液反应 60 分钟后，吸附容量达到 0.0315 mg/g，去除率为 94.6%。此外，为了揭示 CLBC0.25-800 对 TeA 的吸附机理，我们研究了其吸附动力学、等温线和热力学。TeA 通过孔隙吸附、Ca2+ 与 TeA 的络合以及 π-π 相互作用吸附在 CLBC0.25-800 上。吸附过程主要是均匀的单层物理吸附和二次化学吸附。CLBC0.25-800 成功地吸附了加标苹果汁中的 TeA，而对糖和有机酸的含量没有显著影响。这些发现为吸附 TeA 提供了一种新策略。

{"title":"Novel calcium lactate-activated biochar derived from corn straw for tenuazonic acid removal: Adsorbent preparation, adsorption mechanisms, and real application","authors":"Wan Hui Guo , Lei Ma , Xiao Hui Sun , Ying Ying Fan , Jia Bin Zhang , Ze Bo Zheng , Sheng Hong Liu","doi":"10.1016/j.microc.2025.113583","DOIUrl":"10.1016/j.microc.2025.113583","url":null,"abstract":"<div><div><em>Alternaria</em> in contaminated agricultural products can produce highly toxic tenuazonic acid (TeA). Due to its teratogenic, mutagenic, and carcinogenic effects, TeA seriously threatens human health. In this study, we synthesized a novel calcium lactate-modified adsorbent based on corn straw biochar (CLBC0.25-800) and investigated its performance in the removal of TeA from an aqueous solution and apple juice. CLBC0.25-800 was obtained using corn straw powder mixed with Ca lactate at a ratio of 1:4 and heated at 800℃ for 2 h, producing a large specific surface area (SSA) of 215.4440 m<sup>2</sup>∙g<sup>−1</sup> and pore volume of 0.1510 cm<sup>3</sup>∙g<sup>−1</sup>. The large pore volume and large SSA, rich and irregular pore structure, and tubular cavity structure of CLBC0.25-800 were conducive to TeA adsorption. Batch experiments were conducted under different adsorbent doses, initial TeA concentrations, temperatures, and contact times. The results showed that 3 g/L of CLBC0.25-800 reacted with 25 mL of 0.100 mg/L TeA solution for 60 min achieved a high adsorption capacity of 0.0315 mg/g and a removal efficiency of 94.6 %. Moreover, to reveal the adsorption mechanism of CLBC0.25-800 for TeA, we studied the adsorption kinetics, isotherms, and thermodynamics. TeA was adsorbed on CLBC0.25-800 through pore adsorption, complexation between Ca<sup>2+</sup> and TeA, and π–π interactions. The adsorption process was primarily homogeneous monolayer physical adsorption with secondary chemisorption. CLBC0.25-800 successfully adsorbed TeA in spiked apple juice without significant effects on the contents of sugar and organic acids. The findings provided a new strategy to adsorb TeA.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"213 ","pages":"Article 113583"},"PeriodicalIF":4.9,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143850280","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Alkalized Ti3C2 MXene-engineered cost-effective pencil graphite electrode to develop high-performance electrochemical sensor for simultaneous detection of Cd2+ and Pb2+

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2025-04-15 DOI: 10.1016/j.microc.2025.113656

Lu Qian , Zuncai Gu , Mengting Liu , Tao Deng , Chenhao Zhang , Jing Qian , Xingyi Huang , Chengquan Wang

Heavy metals pose a significant threat to ecosystems and human health due to their toxicity and persistence. In this work, we developed a high-performance electrochemical sensor for simultaneous detection of Cd²⁺ and Pb²⁺ using a cost-effective pencil graphite electrode (PGE) modified with alkalized Ti₃C₂ MXene (alk-MXene/PGE). Cyclic voltammetry and electrochemical impedance spectroscopy were utilized to examine the electrochemical characteristics of different PGEs. Studies revealed that the optimal PGE for subsequent application was the one with HB hardness and a diameter of 2 mm. Compared with bare PGE and Ti₃C₂ MXene modified PGE, alk-MXene/PGE exhibited enhanced electrical conductivity and optimized electrochemical performance, enabling sensitive and simultaneous detection of Cd²⁺ and Pb²⁺ in a single run. Linear relationships were achieved for Cd²⁺ in the range of 5.0 × 10⁻⁴ ∼ 7.0 × 10⁻² mg/L and for Pb²⁺ in the range of 2.0 × 10⁻⁴ ∼ 8.0 × 10⁻² mg/L, with detection limits of 8.10 × 10⁻⁶ mg/L and 9.12 × 10⁻⁶ mg/L, respectively. The developed electrochemical sensor was successfully applied to scallop samples, demonstrating its good practicability. This study underscores the potential of alkalized Ti₃C₂ MXene-modified PGEs in electrochemical sensing of Cd²⁺ and Pb²⁺ simultaneously, paving new avenues for food quality monitoring and environmental analysis.

{"title":"Alkalized Ti3C2 MXene-engineered cost-effective pencil graphite electrode to develop high-performance electrochemical sensor for simultaneous detection of Cd2+ and Pb2+","authors":"Lu Qian , Zuncai Gu , Mengting Liu , Tao Deng , Chenhao Zhang , Jing Qian , Xingyi Huang , Chengquan Wang","doi":"10.1016/j.microc.2025.113656","DOIUrl":"10.1016/j.microc.2025.113656","url":null,"abstract":"<div><div>Heavy metals pose a significant threat to ecosystems and human health due to their toxicity and persistence. In this work, we developed a high-performance electrochemical sensor for simultaneous detection of Cd<sup>2+</sup> and Pb<sup>2+</sup> using a cost-effective pencil graphite electrode (PGE) modified with alkalized Ti<sub>3</sub>C<sub>2</sub> MXene (alk-MXene/PGE). Cyclic voltammetry and electrochemical impedance spectroscopy were utilized to examine the electrochemical characteristics of different PGEs. Studies revealed that the optimal PGE for subsequent application was the one with HB hardness and a diameter of 2 mm. Compared with bare PGE and Ti<sub>3</sub>C<sub>2</sub> MXene modified PGE, alk-MXene/PGE exhibited enhanced electrical conductivity and optimized electrochemical performance, enabling sensitive and simultaneous detection of Cd<sup>2+</sup> and Pb<sup>2+</sup> in a single run. Linear relationships were achieved for Cd<sup>2+</sup> in the range of 5.0 × 10<sup>−4</sup> ∼ 7.0 × 10<sup>−2</sup> mg/L and for Pb<sup>2+</sup> in the range of 2.0 × 10<sup>−4</sup> ∼ 8.0 × 10<sup>−2</sup> mg/L, with detection limits of 8.10 × 10<sup>−6</sup> mg/L and 9.12 × 10<sup>−6</sup> mg/L, respectively. The developed electrochemical sensor was successfully applied to scallop samples, demonstrating its good practicability. This study underscores the potential of alkalized Ti<sub>3</sub>C<sub>2</sub> MXene-modified PGEs in electrochemical sensing of Cd<sup>2+</sup> and Pb<sup>2+</sup> simultaneously, paving new avenues for food quality monitoring and environmental analysis.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"213 ","pages":"Article 113656"},"PeriodicalIF":4.9,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143847757","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Efficient MSPE based on MBCZ@DES composite coupled with LC-MS/MS for determining methcathinone in water and visualization mechanism study by density functional theory calculation

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2025-04-15 DOI: 10.1016/j.microc.2025.113653

Jing Huang , Shurui Cao , Tongchao Xia , Qing Qian , Chunmei Luo , Rong Zhu , Tao Huang , Yao Tang , Zhe Zhang

In this work, single-factor and Box-Behnken design (BBD) experiments were utilized to optimize extraction process of methcathinone through magnetic solid phase extraction (MSPE). Magnetic biochar modified with ZIF-8 and deep eutectic solvent (DES) named MBCZ@DES was used as the magnetic adsorbent in the MSPE procedure. The successful preparation of adsorbent was demonstrated via various characterizations. The BBD optimization revealed excellent agreement between predicted and experimental values. The p-value of model is below 0.05, suggesting the significance of the model. Subsequently, MBCZ@DES-based MSPE coupled with liquid chromatography-tandem mass spectrometry (LC-MS/MS) method was developed for detecting methcathinone in water. Method validation demonstrated satisfactory performance with a linear calibration range of 1–200 μg/L (R² = 0.9999), limit of detection (LOD) at 0.137 μg/L, and quantitation accuracy reflected by recoveries of 93.83–95.31 %. Precision studies showed relative standard deviations (RSDs, n = 6) of 1.27–4.31 % for both intra-day and inter-day precision. The MSPE-LC-MS/MS method was successfully adopted to analyze actual water samples, obtaining desirable recoveries varying from 90.89 % to 98.84 %. Mechanisms exploration revealed that reaction mechanisms between MBCZ@DES and methcathinone primarily involved π-π interaction and hydrogen bonding. The insights of governing reaction mechanisms were further explored and verified by density functional theory (DFT) calculation in detail.

{"title":"Efficient MSPE based on MBCZ@DES composite coupled with LC-MS/MS for determining methcathinone in water and visualization mechanism study by density functional theory calculation","authors":"Jing Huang , Shurui Cao , Tongchao Xia , Qing Qian , Chunmei Luo , Rong Zhu , Tao Huang , Yao Tang , Zhe Zhang","doi":"10.1016/j.microc.2025.113653","DOIUrl":"10.1016/j.microc.2025.113653","url":null,"abstract":"<div><div>In this work, single-factor and Box-Behnken design (BBD) experiments were utilized to optimize extraction process of methcathinone through magnetic solid phase extraction (MSPE). Magnetic biochar modified with ZIF-8 and deep eutectic solvent (DES) named MBCZ@DES was used as the magnetic adsorbent in the MSPE procedure. The successful preparation of adsorbent was demonstrated via various characterizations. The BBD optimization revealed excellent agreement between predicted and experimental values. The <em>p</em>-value of model is below 0.05, suggesting the significance of the model. Subsequently, MBCZ@DES-based MSPE coupled with liquid chromatography-tandem mass spectrometry (LC-MS/MS) method was developed for detecting methcathinone in water. Method validation demonstrated satisfactory performance with a linear calibration range of 1–200 μg/L (<em>R</em><sup>2</sup> = 0.9999), limit of detection (LOD) at 0.137 μg/L, and quantitation accuracy reflected by recoveries of 93.83–95.31 %. Precision studies showed relative standard deviations (RSDs, n = 6) of 1.27–4.31 % for both intra-day and inter-day precision. The MSPE-LC-MS/MS method was successfully adopted to analyze actual water samples, obtaining desirable recoveries varying from 90.89 % to 98.84 %. Mechanisms exploration revealed that reaction mechanisms between MBCZ@DES and methcathinone primarily involved π-π interaction and hydrogen bonding. The insights of governing reaction mechanisms were further explored and verified by density functional theory (DFT) calculation in detail.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"213 ","pages":"Article 113653"},"PeriodicalIF":4.9,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143847771","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Exploring the elemental detection on portable XRF vs SEM-EDX in household alloy materials analysis

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2025-04-15 DOI: 10.1016/j.microc.2025.113667

Ahmad Zaeri Latahir, Chong Kah Wai, Syed Fariq Fathullah Syed Yaacob, Rusyidah Abdul Rahim

This study assesses the efficacy of portable X-ray Fluorescence (XRF) and Scanning Electron Microscopy with Energy Dispersive X-ray (SEM-EDX) for determining the elemental compositions of household alloy materials. Fifteen different alloy samples were examined employing both techniques. To evaluate the detection capabilities and agreement between the two techniques, statistical studies were performed, involving paired t-tests and Bland-Altman analysis. The findings revealed that XRF detected a significantly higher number of elements per sample (mean: 7.33) compared to SEM-EDX (mean: 2.87), with a statistically significant mean difference (p < 0.05). The Bland-Altman analysis demonstrated a mean bias of −4.47, with limits of agreement ranging from −11.76 to 2.82, highlighting variability in detection performance. XRF exhibited enhanced bulk analytical proficiency, effectively identifying both trace and major components, whereas SEM-EDX excelled in surface-specific analysis and spatial resolution. The results highlight the synergistic characteristics of various approaches, indicating their combined application for comprehensive elemental investigation. These findings are especially noteworthy for forensic and industrial applications requiring accurate material assessment.

{"title":"Exploring the elemental detection on portable XRF vs SEM-EDX in household alloy materials analysis","authors":"Ahmad Zaeri Latahir, Chong Kah Wai, Syed Fariq Fathullah Syed Yaacob, Rusyidah Abdul Rahim","doi":"10.1016/j.microc.2025.113667","DOIUrl":"10.1016/j.microc.2025.113667","url":null,"abstract":"<div><div>This study assesses the efficacy of portable X-ray Fluorescence (XRF) and Scanning Electron Microscopy with Energy Dispersive X-ray (SEM-EDX) for determining the elemental compositions of household alloy materials. Fifteen different alloy samples were examined employing both techniques. To evaluate the detection capabilities and agreement between the two techniques, statistical studies were performed, involving paired t-tests and Bland-Altman analysis. The findings revealed that XRF detected a significantly higher number of elements per sample (mean: 7.33) compared to SEM-EDX (mean: 2.87), with a statistically significant mean difference (p < 0.05). The Bland-Altman analysis demonstrated a mean bias of −4.47, with limits of agreement ranging from −11.76 to 2.82, highlighting variability in detection performance. XRF exhibited enhanced bulk analytical proficiency, effectively identifying both trace and major components, whereas SEM-EDX excelled in surface-specific analysis and spatial resolution. The results highlight the synergistic characteristics of various approaches, indicating their combined application for comprehensive elemental investigation. These findings are especially noteworthy for forensic and industrial applications requiring accurate material assessment.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"213 ","pages":"Article 113667"},"PeriodicalIF":4.9,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143844808","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Screening of anti-inflammatory components in composite Houttuynia mixture using comprehensive two-dimensional ultra-high-performance liquid chromatography quadrupole time-of-flight mass spectrometry and network pharmacology

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2025-04-15 DOI: 10.1016/j.microc.2025.113660

Xinyue Lin , Luxi Zhou , Lingfang Chen , Qiyue Chen , Zhuming Jin , Peixi Zhu , Ni Yang

Houttuynia cordata Thunb. is a perennial herb with a distinct “fishy” flavour, commonly used in Asian cuisine and traditional medicine. To overcome the compound identification challenges in the composite formula of its mixture, a comprehensive two-dimensional ultra-high-performance liquid chromatography quadrupole time-of-flight mass spectrometry (2D UHPLC-QTOF-MS) method was developed and identified 293 chemical compounds. Given the herb’s strong anti-inflammatory properties, network pharmacology was employed to predict potential targets, revealing TNF, AKT1, MMP9, and PTGS2 as key theoretical targets for its anti-inflammatory effects. Molecular docking showed strong binding energies between these targets and the top 10 compounds (8,13-dihydroxy-9,11-octadecadienoic acid, neobaicalein, chrysin, apigenin, genistein, chrysoeriol, norwogonin, cirsiliol, luteolin and deoxyandrographolide), with genistein exhibiting the highest affinity for AKT1 (−10.4 kcal/mol). This innovative approach, combining advanced 2D UHPLC-QTOF-MS with network pharmacology, offers great potential for screening active components in herbs and their complex mixtures.

{"title":"Screening of anti-inflammatory components in composite Houttuynia mixture using comprehensive two-dimensional ultra-high-performance liquid chromatography quadrupole time-of-flight mass spectrometry and network pharmacology","authors":"Xinyue Lin , Luxi Zhou , Lingfang Chen , Qiyue Chen , Zhuming Jin , Peixi Zhu , Ni Yang","doi":"10.1016/j.microc.2025.113660","DOIUrl":"10.1016/j.microc.2025.113660","url":null,"abstract":"<div><div><em>Houttuynia cordata</em> Thunb. is a perennial herb with a distinct “fishy” flavour, commonly used in Asian cuisine and traditional medicine. To overcome the compound identification challenges in the composite formula of its mixture, a comprehensive two-dimensional ultra-high-performance liquid chromatography quadrupole time-of-flight mass spectrometry (2D UHPLC-QTOF-MS) method was developed and identified 293 chemical compounds. Given the herb’s strong anti-inflammatory properties, network pharmacology was employed to predict potential targets, revealing TNF, AKT1, MMP9, and PTGS2 as key theoretical targets for its anti-inflammatory effects. Molecular docking showed strong binding energies between these targets and the top 10 compounds (8,13-dihydroxy-9,11-octadecadienoic acid, neobaicalein, chrysin, apigenin, genistein, chrysoeriol, norwogonin, cirsiliol, luteolin and deoxyandrographolide), with genistein exhibiting the highest affinity for AKT1 (−10.4 kcal/mol). This innovative approach, combining advanced 2D UHPLC-QTOF-MS with network pharmacology, offers great potential for screening active components in herbs and their complex mixtures.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"213 ","pages":"Article 113660"},"PeriodicalIF":4.9,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143839545","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Strategies for the development and optimization of green acetonitrile-free HPLC methods for application in pharmaceutical analysis 开发和优化用于药物分析的绿色无乙腈高效液相色谱法的策略

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2025-04-15 DOI: 10.1016/j.microc.2025.113659

Gabriela Lemos Ribeiro de Souza , Amanda de Paula Oliveira , Paulo Salles Neto , Jhonatan Bispo de Oliveira , Cassiano Lino dos Santos Costa , Patterson Patricio de Souza , Marina Bicalho Silveira , Ildefonso Binatti

In the pharmaceutical industry, high-performance liquid chromatography (HPLC) is of central importance for quality control and the analysis of active pharmaceutical ingredients. Conventional HPLC methods commonly use acetonitrile (ACN) due to its favorable properties, but it’s expensive, toxic, and causes environmental damage, making it necessary to look for safer alternatives. This study presents a systematic approach to developing and optimizing an HPLC pharmaceutical analysis method by replacing ACN and phosphate buffer with methanol and trifluoroacetic acid (TFA). The method was validated for the purity analysis of the radiopharmaceutical PSMA-1007 (¹⁸F) and demonstrates a change towards more environmentally friendly methods in chromatographic analysis. Using multivariate experimental designs, the method was optimized to achieve efficient separation with methanol and TFA. The new method showed comparable performance to conventional methods, is cheaper, and offers environmental benefits such as lower solvent toxicity and lower ecological impact. This work emphasizes the importance of integrating green chemistry principles into method development and provides a guide for applying these practices to various pharmaceutical analyses.

{"title":"Strategies for the development and optimization of green acetonitrile-free HPLC methods for application in pharmaceutical analysis","authors":"Gabriela Lemos Ribeiro de Souza , Amanda de Paula Oliveira , Paulo Salles Neto , Jhonatan Bispo de Oliveira , Cassiano Lino dos Santos Costa , Patterson Patricio de Souza , Marina Bicalho Silveira , Ildefonso Binatti","doi":"10.1016/j.microc.2025.113659","DOIUrl":"10.1016/j.microc.2025.113659","url":null,"abstract":"<div><div>In the pharmaceutical industry, high-performance liquid chromatography (HPLC) is of central importance for quality control and the analysis of active pharmaceutical ingredients. Conventional HPLC methods commonly use acetonitrile (ACN) due to its favorable properties, but it’s expensive, toxic, and causes environmental damage, making it necessary to look for safer alternatives. This study presents a systematic approach to developing and optimizing an HPLC pharmaceutical analysis method by replacing ACN and phosphate buffer with methanol and trifluoroacetic acid (TFA). The method was validated for the purity analysis of the radiopharmaceutical PSMA-1007 (<sup>18</sup>F) and demonstrates a change towards more environmentally friendly methods in chromatographic analysis. Using multivariate experimental designs, the method was optimized to achieve efficient separation with methanol and TFA. The new method showed comparable performance to conventional methods, is cheaper, and offers environmental benefits such as lower solvent toxicity and lower ecological impact. This work emphasizes the importance of integrating green chemistry principles into method development and provides a guide for applying these practices to various pharmaceutical analyses.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"213 ","pages":"Article 113659"},"PeriodicalIF":4.9,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143844804","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

From separation to identification: Microplastic detection and analyses in soils

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2025-04-15 DOI: 10.1016/j.microc.2025.113652

Qingwei Zhou , Meiqing Jin , Li Fu , Cheng-Te Lin , Weihong Wu

Microplastics (MPs) detection in soil environments presents unique analytical challenges due to matrix complexity and diverse particle characteristics. This review comprehensively examines current technologies and methodological approaches for detecting and characterizing MPs in soil matrices. Sample preparation techniques, including physical pretreatment, chemical digestion, and various separation methods such as density-based, electrostatic, oil-based, and magnetic separation, are critically evaluated. The review highlights how different analytical methods, from traditional microscopy to advanced spectroscopic techniques, complement each other in MP identification and quantification. Recent developments in artificial intelligence and deep learning applications for automated MP analysis are also discussed. The distribution patterns of MPs across different soil environments reveal significant variations, with agricultural soils showing concentrations ranging from 420–1290 particles/kg, urban soils containing 1750–12,200 particles/kg, and specialized ecosystems exhibiting unique MP profiles. Regional hotspots of MP contamination are identified, particularly in areas with intensive agricultural practices and inadequate waste management. The review emphasizes how both anthropogenic activities and natural factors influence MP abundance and characteristics in soils, with polymer types predominantly consisting of polyethylene, polypropylene, and polyvinyl chloride. This comprehensive analysis provides insights into current methodological advances while highlighting areas requiring further research and standardization in soil MP analysis.

由于基质的复杂性和颗粒特征的多样性，土壤环境中的微塑料（MPs）检测面临着独特的分析挑战。本综述全面探讨了当前检测和表征土壤基质中 MPs 的技术和方法。对样品制备技术，包括物理预处理、化学消化以及各种分离方法（如密度分离、静电分离、油基分离和磁性分离）进行了严格评估。综述强调了不同的分析方法，从传统的显微镜到先进的光谱技术，如何在 MP 识别和定量方面相互补充。此外，还讨论了用于 MP 自动分析的人工智能和深度学习应用的最新进展。不同土壤环境中 MP 的分布模式存在显著差异，农业土壤中的 MP 浓度为 420-1290 微粒/千克，城市土壤中的 MP 浓度为 1750-12200 微粒/千克，而特殊的生态系统则表现出独特的 MP 特征。研究还发现了多溴联苯醚污染的区域热点，尤其是在农业密集型作业和废物管理不善的地区。综述强调了人为活动和自然因素如何影响土壤中 MP 的丰度和特性，聚合物类型主要包括聚乙烯、聚丙烯和聚氯乙烯。这项综合分析为当前的方法论进展提供了见解，同时也强调了在土壤 MP 分析中需要进一步研究和标准化的领域。

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引用次数: 0

Development of ultrasonic assisted extraction and salting out liquid-liquid extraction techniques for agricultural environmental monitoring of pyroxasulfone and dietary risk assessment

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2025-04-15 DOI: 10.1016/j.microc.2025.113662

Pervinder Kaur , Harshdeep Kaur , Harmeet Kaur , Tarundeep Kaur

The optimization of extraction methods for monitoring herbicide residues is crucial for ensuring food safety and environmental sustainability. The present study focuses on optimizing ultrasound-assisted extraction (UAE) and salting out liquid-liquid extraction (SALLE) techniques for the efficient extraction of pyroxasulfone from soil, wheat and water. Various factors such as solvent type and volume, ultrasonication time and temperature, extraction cycle, sample-to-solvent ratio, salt type and its concentration were optimized to achieve the highest extraction efficiency. A mathematical model was constructed using the Box-Behnken design to represent the relationship between the variables and the response (percent recovery). The developed method demonstrated high accuracy and precision for determining pyroxasulfone in soil, wheat and water with mean percent recoveries ranging from 81.6 to 100.2 % and relative standard deviation < 10 %. Degradation studies revealed that at the time of harvest, pyroxasulfone residues in both soil and wheat grain were below detectable limits (<0.01 µg g⁻¹), indicating effective degradation and minimal risk of residual contamination. HQ for pyroxasulfone was 0.113 indicating that there is no dietary risk associated with the consumption of rice containing pyroxasulfone residues. Additionally, environmental sustainability assessments using AGREE and GAPI metrics indicated the methods are green, offering low environmental impact and high efficiency. These findings underline the practical applicability of optimized UAE and SALLE techniques for pyroxasulfone residue analysis in agricultural environments, emphasizing their potential for routine monitoring and compliance with food safety standards.

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引用次数: 0

Homogeneous electrochemical and colorimetric dual-model analysis of tetracycline based on target-stimulated peroxidase like activity of MIL(Fe3Ni)-88B

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2025-04-15 DOI: 10.1016/j.microc.2025.113651

Yingying Du , Qing Liu , Yong Zhao , Gangbing Zhu , Zongmian Zhang , Yinhui Yi

Tetracycline (TC) is an effective antibiotic that is extensively used. However, incomplete use of TC would leave residues in various environmental substrates, and excessive accumulation of TC can cause permanent damage to organisms and human health. Consequently, it is crucial to develop a fast and simple TC detection technique. In this work, a hydrothermal approach was used to create an amino functionalized bimetallic organic framework of iron and nickel (MIL(Fe₃Ni)-88B) for homogeneous electrochemical (HEC) and colorimetric detection of TC. The synergistic effects of Ni and Fe enhance the redox capacity of MIL(Fe₃Ni)-88B, and the amino group on its surface can bind with TC through a hydrogen-bonding interaction, which causes the electronic interactions and further enhance the peroxidase-like (POD-like) activity of MIL(Fe₃Ni)-88B. Thus, with H₂O₂ and o-phenylenediamine (OPD) as reaction substrate, the Fenton reaction is enhanced by the transfer of the electron between TC and MIL(Fe₃Ni)-88B, enabling HEC detection of TC. Meanwhile, OPD could be oxidized to yellow 2,3-diaminophenylazine (DAP) under the catalysis reaction, providing feasibility for colorimetric detection of TC. The constructed dual-model analysis of TC achieves a wide linear range of 0.01 ∼ 10.0 μM for HEC detection and 0.25 ∼ 25.0 μM for colorimetric method, respectively, coupled with the low detection limits of 0.003 and 0.086 μM. Additionally, due to the unique structure of MIL(Fe₃Ni)-88B, it can be used for highly effective detection of TC in water samples, and the detection of TC in real water samples based on the dual-model strategy has high recoveries between 97.04 % and 103.76 %.

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引用次数: 0