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Traditional Chinese medicine Luo Tong Formula attenuates retinal injury in experimental diabetic retinopathy via modulation of DNA methylation: In vivo experiment integrated with molecular docking, ADMET assessment, and molecular dynamics simulation 中药络通方通过调节DNA甲基化减轻实验性糖尿病视网膜病变视网膜损伤:结合分子对接、ADMET评估和分子动力学模拟的体内实验
IF 1.3 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-07-09 DOI: 10.1016/j.cjac.2025.100584
Chongxiang XUE , Sha DI , Ying CHEN , Tiange WANG , Haoran WU , Xinyi FANG , Yaguang CHEN , Min LI

Background

Diabetic retinopathy (DR) is a leading cause of blindness in the adult population. Luo-Tong formula (LTF), a traditional Chinese medicine prescription, has been frequently employed in the treatment of DR. However, the ability of LTF to prevent retinal injury and disease progression, as well as potential mechanisms, remain unknown.

Objectives

To investigate the effect of LTF in alleviating DR and uncover the potential hub targets.

Methods

An experimental DR model was established to assess the effect of LTF and elucidate its underlying mechanism. Retinal thickness, morphological changes of retinal microvessels, as well as the numbers of endothelial cells and pericyte ghosts, were examined. Methylation status was evaluated with methylated DNA immunoprecipitation processing. Bioinformatic analysis of array results was used to screen hub genes. Interactions between potential targets and active compounds were assessed by molecular docking. ADMET analysis was used to evaluate drug-likeness characteristics and toxicity. Molecular dynamics (MD) simulation and MMGBSA calculation of binding free energies were conducted for the optimal core active compound-target complexes obtained by molecular docking.

Results

The administration of LTF demonstrated improvements in glycolipid metabolic disorder and a significant reduction in oxidative stress and inflammation in DR rats. Additionally, LTF exhibited protective properties against retinal injury. A quantitative analysis of DNA methylation indicated alterations in the composition and quantity of methylated genes following LTF intervention. Four important functional epigenetic modules and six hub genes (Fgfr1, TOX3, Rps9, Rps15, Rpl7, Mrpl36) were identified. Molecular docking identified ten compounds of LTF and 23 binding complexes with lower binding energy (< 7 kcal/mol), while five compounds were excluded after ADMET analysis. Two complexes (Aloe-emodin-TOX3, Panaxatriol-Fgfr1) with the lowest binding energy were further chosen for MD simulation and both complexes have stable and satisfactory binding systems. Finally, MMGBSA calculation of binding free energies revealed that Panaxatriol-Fgfr1 complex was identified as the drug-target candidate in the pharmacological treatment of DR.

Conclusions

LTF has demonstrated efficacy for DR, and its mechanisms may be associated with the regulation of DNA methylation. Panaxatriol-Fgfr1 complex was identified as the drug-target candidate. Epigenetic modifications following LTF intervention have been implicated in the pathogenesis of DR and offer potential therapeutic opportunities for early diagnosis and treatment in the future.
背景:糖尿病视网膜病变(DR)是导致成人失明的主要原因。络通方(LTF)是一种常用的治疗dr的中药方剂,但其预防视网膜损伤和疾病进展的能力及其可能的机制尚不清楚。目的探讨LTF在缓解DR中的作用,揭示潜在的中枢靶点。方法建立实验DR模型,评价LTF的作用并阐明其作用机制。观察视网膜厚度、微血管形态变化、内皮细胞和周细胞鬼影的数量。甲基化状态用甲基化DNA免疫沉淀处理评估。对阵列结果进行生物信息学分析,筛选枢纽基因。通过分子对接评估潜在靶点与活性化合物之间的相互作用。采用ADMET分析评价药物相似特性和毒性。对通过分子对接得到的最优核心活性化合物-靶标配合物进行了分子动力学模拟和结合自由能的MMGBSA计算。结果LTF可改善DR大鼠的糖脂代谢紊乱,显著降低氧化应激和炎症。此外,LTF对视网膜损伤具有保护作用。DNA甲基化的定量分析表明,LTF干预后甲基化基因的组成和数量发生了变化。鉴定出4个重要的功能表观遗传模块和6个枢纽基因(Fgfr1、TOX3、Rps9、Rps15、Rpl7、Mrpl36)。分子对接鉴定出10个LTF化合物和23个结合能较低(< 7 kcal/mol)的结合物,ADMET分析排除了5个化合物。进一步选择结合能最低的两个配合物(芦荟-大黄素- tox3, Panaxatriol-Fgfr1)进行MD模拟,这两个配合物都具有稳定且令人满意的结合体系。最后,MMGBSA结合自由能计算结果显示,Panaxatriol-Fgfr1复合物被确定为DR药理学治疗的候选药物靶点。结论sltf对DR具有一定的疗效,其作用机制可能与调节DNA甲基化有关。Panaxatriol-Fgfr1复合物被确定为候选药物靶点。LTF干预后的表观遗传修饰与DR的发病机制有关,并为未来的早期诊断和治疗提供了潜在的治疗机会。
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引用次数: 0
Deciphering gut microbiota alternation in central precocious puberty mice after Qingxiangyin treatment using 16S rRNA sequencing 利用16S rRNA测序技术破译清香饮治疗后中枢性性早熟小鼠肠道微生物群的变化
IF 1.3 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-07-08 DOI: 10.1016/j.cjac.2025.100597
Yiyuan CHEN, Jing LI
Central precocious puberty (CPP) is a familiar disease in preadolescent children. Gut microbes exert a vital role in CPP development. Qingxiangyin (QXY), a traditional Chinese medicine, has been employed to treat CPP for long time, but its effect on gut microbiota in CPP remains unclear. In the present study, the 16S rRNA sequencing was utilized to investigate gut microbiota in CPP mice after QXY treatment. Results showed that QXY obviously increased gut microbiota diversity and richness of CPP mice. The abundance of Lactobacillus and Odoribacter was decreased, and Ruminococcus, Bacteroides, and Prevotella were increased in CPP mice, whereas QXY partly reversed this trend. Furthermore, KEGG analysis revealed that gut microbiota was chiefly engaged in amino acid metabolism, Carbohydrate metabolism, and lipid metabolism in CPP mice. In conclusion, QXY could adjust the structure and composition of gut microbiota in CPP mice. The results offered an evidence that QXY might affect CPP via regulating gut microbiota.
中枢性性早熟(CPP)是青春期前儿童常见的疾病。肠道微生物在CPP的发展中起着至关重要的作用。清香饮(QXY)作为中药治疗CPP已有很长时间,但其对CPP患者肠道菌群的影响尚不清楚。在本研究中,我们利用16S rRNA测序研究了QXY治疗后CPP小鼠的肠道微生物群。结果表明,QXY明显增加了CPP小鼠肠道菌群的多样性和丰富度。在CPP小鼠中,乳酸杆菌和气味杆菌的丰度降低,Ruminococcus, Bacteroides和Prevotella的丰度增加,而QXY在一定程度上扭转了这一趋势。此外,KEGG分析显示,CPP小鼠的肠道微生物群主要参与氨基酸代谢、碳水化合物代谢和脂质代谢。综上所述,QXY可以调节CPP小鼠肠道菌群的结构和组成。结果表明,QXY可能通过调节肠道菌群影响CPP。
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引用次数: 0
Preparation of Auricularia auricula doped carbon-nitrogen quantum dots and their application in detecting heavy metal ions 黑木耳掺杂碳氮量子点的制备及其在重金属离子检测中的应用
IF 1.3 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-07-08 DOI: 10.1016/j.cjac.2025.100596
Haizhi Wu , Hongfeng Gao
This paper uses Auricularia auricula as the biological matrix material to synthesize carbon quantum dots (CQDs) with blue fluorescence by one step hydrothermal method. The characterization results by transmission electron microscope (TEM), X-ray diffraction (XRD), fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS) indicate that CQDs are spherical in shape with an average particle size of 6 nm. The surface of CQDs contains hydrophilic groups such as hydroxyl, carboxyl, and amino groups, which have good water solubility. At the same time, CQDs have good fluorescence stability and excellent selectivity and anti-interference properties towards Fe3+. They exhibit good linearity in the range of 3–40 μmol/L, with a detection limit of 0.28 μmol/L. CQDs have been used as probes for the detection of Fe3+ content in tap water and mineral water, and satisfactory results have been obtained. Therefore, this probe has broad application prospects.
以黑木耳为生物基质材料,采用一步水热法制备了具有蓝色荧光的碳量子点。透射电镜(TEM)、x射线衍射(XRD)、傅里叶变换红外光谱(FTIR)和x射线光电子能谱(XPS)表征结果表明,CQDs为球形,平均粒径为6 nm。CQDs表面含有羟基、羧基、氨基等亲水性基团,具有良好的水溶性。同时,CQDs具有良好的荧光稳定性和对Fe3+的选择性和抗干扰性能。在3 ~ 40 μmol/L范围内线性良好,检出限为0.28 μmol/L。用CQDs作为探针检测自来水和矿泉水中的Fe3+含量,取得了满意的结果。因此,该探针具有广阔的应用前景。
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引用次数: 0
Beyond chemistry: A multidimensional approach to assessing Cortex fraxini 超越化学:评估黄皮的多维方法
IF 1.3 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-07-07 DOI: 10.1016/j.cjac.2025.100593
Zhiruo JIA , Yuanle SHEN , Liping SU , Peng WANG , Junpeng YU , Jiaxin WANG , Lulu TAN , Qiming PAN , Hailing YANG , Jianfang FENG , Zhenjie LIU
Traditional chemical analysis methods for evaluating the quality of traditional Chinese medicine (TCM), such as Cortex fraxini (C. fraxini), 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 C. fraxini, 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 (e.g., 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.
用于评价中药质量的传统化学分析方法,如黄皮(C. fraxini),往往不能全面解决谱效应、剂量效应和毒性效应的关系,限制了其预测临床疗效和安全性的能力。为了克服这一挑战,本研究引入了效应成分指数(ECI),这是一种将多维化学成分数据和基于生物活性的加权策略集成在一起的综合质量评估方法。以黄曲霉的抗氧化特性为重点,建立了高效液相色谱(HPLC)指纹图谱,定量分析了黄曲霉素、黄曲霉素、黄曲霉素和黄曲霉素四种主要生物活性成分,并通过1,1-二苯基-2-picrylhydrazyl (DPPH)和2,2 ' -氮基-双(3-乙基苯并噻唑啉-6-磺酸)(ABTS)自由基清除试验评价了它们的抗氧化能力。ECI框架显示38个批次的抗氧化潜力存在显著差异,其中批次S13、S16和S11显示出最高的DPPH和ABTS-based ECI值,而批次S10、S35和S14始终排名最低。验证实验证实了计算的ECI值与实验测定的抗氧化活性之间的强相关性,尽管某些批次(例如,S11, S13, S15, S16)显示出比预测更高的测量生物活性。本研究通过建立有效成分的浓度-效应关系,成功地将化学成分与治疗效果联系起来,为推进草药质量控制范式提供了强有力的创新工具。ECI模型为优化中药的安全性、有效性和规范化提供了科学依据。
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引用次数: 0
Pharmacological mechanisms and pharmacokinetic analysis of anti-tumor components in Chinese herbal medicine 中草药抗肿瘤成分的药理机制及药动学分析
IF 1.3 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-07-06 DOI: 10.1016/j.cjac.2025.100590
Jiayu ZOU , Yunxin ZHU , Ning YANG , Delin XU , Juanjuan ZHAO
Tumors continue to pose a significant threat to human health and quality of life, underscoring the need for more affordable, safer, and more effective treatment options. In recent years, Chinese herbal medicine (CHM) has garnered significant attention from researchers and the pharmaceutical industry due to its advantages, including multi-target effects, mild adverse reactions, low cost, and abundant resources for tumor treatment. Moreover, the combination of CHM with chemotherapy agents holds promise for overcoming drug resistance and alleviating the adverse effects associated with conventional treatments. This review systematically examines the academic literature documenting the anti-tumor activity of CHM. It summarizes the key medicinal components exhibiting anti-tumor activity in these CHM, elucidates their pharmacological mechanisms and pharmacokinetic characteristics, and provides a critical evaluation of the current challenges and future research directions within this field. The findings may serve as a critical reference for identifying anti-tumor bioactive compounds within CHM and for developing novel anti-tumor agents.
肿瘤继续对人类健康和生活质量构成重大威胁,强调需要更负担得起、更安全、更有效的治疗方案。近年来,中草药以其多靶点作用、不良反应轻、成本低、治疗肿瘤资源丰富等优势,受到了研究人员和制药行业的广泛关注。此外,中西医结合化疗药物有望克服耐药性,减轻与传统治疗相关的不良反应。本文系统地回顾了有关中药抗肿瘤活性的学术文献。总结了这些中药中具有抗肿瘤活性的主要药物成分,阐述了其药理机制和药代动力学特征,并对该领域目前面临的挑战和未来的研究方向进行了批判性评价。研究结果可为中草药抗肿瘤活性物质的鉴定和新型抗肿瘤药物的开发提供重要参考。
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引用次数: 0
Hydrothermally tailored hematite nanorods for photo-fenton degradation of 4-nitrophenol: Influence of morphology on catalytic mechanism and environmental safety 水热定制赤铁矿纳米棒用于光fenton降解4-硝基苯酚:形态对催化机理和环境安全性的影响
IF 1.3 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-07-06 DOI: 10.1016/j.cjac.2025.100585
Mashael D. Alqahtani , Dina Mostafa , Nabila Shehata , May N. Bin Jumah , Nahaa M. Alotaibi , Hassan A. Rudayni , Ahmed A. Allam , Mostafa R. Abukhadra
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 (p-benzoquinone, hydroquinone, 4-aminophenol, and acetic acid). The eco-toxicity studies for the treated solutions over different durations, considering both chronic (ChV > 10) and acute toxicity (LC50 and EC50 > 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.
以天然红土为原料,经不同时间(12、24、36、48 h)的碱性水热改性,合成了纳米赤铁矿棒。采用不同的分析技术,考察了改性时间对改性后赤铁矿H.12、H.25、H.36和H.48的形态和理化性质的影响。将这四种衍生物作为潜在的催化剂应用于光- fenton氧化法净化有害的4-硝基苯酚(4-NP)。改性后的H.36具有最佳的纳米棒几何形状、最高的比表面积(154.7 m2/g)和最有效的催化性能。在0.4 g/L的浓度下,H.36在80 min (5 mg/L)、120 min (10 mg/L)和180 min (15 mg/L)内完全氧化所研究的4-硝基酚污染物。矿化研究证实了4-NP分子(5mg /L)在160分钟内通过H.36转化为安全的最终产物。矿化途径通过一系列氧化反应,包括羟基自由基的释放和不同中间体(对苯醌、对苯二酚、4-氨基酚和乙酸)的生成,最终形成H2O、CO2、NO2−和NO3−。考虑到慢性毒性(ChV > 10)和急性毒性(LC50和EC50 >; 100),不同时间处理溶液的生态毒性研究表明,使用H.36的氧化反应在降低4-NP的毒性和诱导处理样品的安全性方面有显著影响,特别是在160分钟后。
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引用次数: 0
Synthesis, characterization, antioxidant and bioactivity assessment, and thermodynamic analysis of metal ion complexes using a novel azo dye 新型偶氮染料金属离子配合物的合成、表征、抗氧化和生物活性评价及热力学分析
IF 1.3 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-07-06 DOI: 10.1016/j.cjac.2025.100586
Asseel AA. Al-naemi , Abbas Ali Salih Al-Hamdani , Susan Duraid Ahmed , Muhammad Fazle Rabbee , Nokeun Park , Wail Al Zoubi
In this study, the new azo dye,5,5-[1,2-phenylenebis(2,1-biazenediyl)] bis[8-quinolino], was used to synthesize complexes with Co2+, Ni2+, Cu2+, Zn2+, and Cd2+ ions. The compounds were characterized using 1H and 13C nuclear magnetic resonance (NMR) spectroscopy, Fourier transform infrared (FT-IR) spectroscopy, ultraviolet-visible (UV-Vis) spectroscopy, mass spectrometry, thermo gravimetric analysis (TGA), diffevential scanning calovimltry (DSC), CHN analysis. Further, conductivity, magnetic susceptibility, and metal and chlorine content analysis using FT-IR spectroscopy revealed that the ligand chelates as a bidentate (OH) phenol group and a bidentate (CN) ring group. The ligand exhibited tetradentate behavior, forming tetrahedral complexes. Except for Co and Ni complexes,whichare octahedral, all of them are non-electrolytes. Air-stable complexes with distinct octahedral moieties were created in a 2:1 metal:ligand molar ratio. The effectiveness of both the compounds in inhibiting free radicals was evaluatedbased on their ability to act as antioxidants was assessed using 2,2-diphenyl-1-picrylhydrazyl (DPPH) as a free radical and gallic acid as a standard substance. The IC50 value indicated that the ligand had higher free radical inhibition ability, and the ability to inhibit the compoundsvaried.The ligand and complexes with Co2+, Cu2+, and Zn2+ were tested against Escherichia coli, Bacillus spp, Penicillium, Aspergillus niger, Fusarium, and Trichoderma at two concentrations, showing varying inhibitory effects on bacterial and fungal growth compared to the control.
本研究利用新型偶氮染料5,5-[1,2-苯双(2,1-双氮二基)][8-喹啉酸]与Co2+、Ni2+、Cu2+、Zn2+和Cd2+离子合成配合物。采用1H和13C核磁共振(NMR)、傅里叶变换红外(FT-IR)光谱、紫外可见(UV-Vis)光谱、质谱、热重分析(TGA)、差示扫描量热分析(DSC)、CHN分析对化合物进行了表征。此外,利用傅里叶变换红外光谱对配体的电导率、磁化率、金属和氯含量进行了分析,发现配体螯合成双齿(OH)酚基和双齿(CN)环基。配体表现出四齿行为,形成四面体配合物。除Co和Ni配合物为八面体外,其余均为非电解质。具有不同八面体部分的空气稳定配合物以2:1的金属:配体摩尔比生成。以2,2-二苯基-1-苦酰肼(DPPH)为自由基,没食子酸为标准物质,通过抗氧化剂的作用来评价这两种化合物对自由基的抑制作用。IC50值表明该配体具有较高的自由基抑制能力,且对化合物的抑制能力存在差异。在不同浓度下,对Co2+、Cu2+和Zn2+配体和配合物对大肠杆菌、芽孢杆菌、青霉菌、黑曲霉、镰刀菌和木霉的抑菌效果进行了测试,与对照相比,对细菌和真菌的生长有不同的抑制效果。
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引用次数: 0
Development and validation of simultaneous quantitative analytical method for emerging contaminants in animal-derived foods using ultra performance liquid chromatography-tandem mass spectrometry 超高效液相色谱-串联质谱同时定量分析动物源性食品中新出现污染物的方法的开发和验证
IF 1.3 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-07-06 DOI: 10.1016/j.cjac.2025.100592
Bolin LIU , Ziyue ZHAN , Qi ZHANG , Yu LIU , Yanyu DAI , Ji'an XIE , Qianwen MENG , Ziwei ZHAO
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 (R2) ranging from 0.9911 to 0.9999. The method detection limits (S/N = 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.
抗生素、镇定剂等兽药的非法和过度使用以及全氟烷基和多氟烷基物质(PFAS)产品的广泛使用造成的环境污染是两个令人关注的问题。它们造成了食品安全问题,严重威胁人类健康。加强对食品中农药残留的监测迫在眉睫。采用增强基质去除脂质(emr -脂质)固相萃取结合超高效液相色谱-串联质谱法,建立了一种简单、快速、高精度的动物源性食品中抗生素、PFAS和药物的定量测定方法。对影响该方法准确度和灵敏度的提取溶剂、清洗方法等条件进行了优化。在最优条件下,分析物在浓度范围内线性良好,线性相关系数(R2)在0.9911 ~ 0.9999范围内。方法检出限(S/N = 3)为0.025 ~ 5.0µg/kg,定量限为0.075 ~ 15.0µg/kg。在1、2、10倍定量限下,103种分析物在不同基质中的平均加标回收率为60.0 % ~ 119 %,相对标准偏差(rsd)为0.042 % ~ 19.8 %。该方法成功地应用于实际食品样品中103种微量新出现的污染物的分析。
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引用次数: 0
Mineralogical-based analysis of the toxicity reduction mechanism in haematitum processing 基于矿物学的赤铁矿处理毒性还原机理分析
IF 1.3 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-07-05 DOI: 10.1016/j.cjac.2025.100588
Min LU , Cheng-Cheng WANG , Juan LI , Jing MING , Guo-Hua ZHENG , Bi-Sheng HUANG , Yan CAO

Objective

Haematitum is a mineral medicine with a wide range of clinical uses and has been in use for > 2000 years. It has a certain degree of toxicity, so it is usually processed by calcination and quenching methods to reduce its toxic side effects. It is important to clarify the processing mechanism for the further development of haematitum.

Methods

Haematitum and processed haematitum (calcined and vinegar-quenched haematitum) were analyzed by scanning electron microscope, zeta potential analyzer, specific surface and porosity analyzer, X-ray photoelectron spectrometer, inductively coupled plasma mass spectrometer, and advanced mineral identification and characterization system. Moreover, evaluation of haematitum toxicity and procoagulant capacity using a mice model.

Results

The specific surface area of haematitum decreased from 17.04 to 1.42 m2/g and the zeta potential increased from −24.00 to −16.60 mV after processing. Processed haematitum and its major constituents (except quartz) are all larger in particle size than haematitum. The toxic heavy metal elements arsenic and lead in haematitum were reduced by 16.67 % and 30.77 % after processing, respectively. Some of the arsenic (III) elements are oxidized to the much less toxic arsenic (V) elements after processing. The iron (II) elements in haematitum are also partially oxidized to iron (III) elements. High doses of haematitum were toxic to the lungs, liver, and colon of mice, and the toxicity of processed haematitum was significantly reduced. Both before and after haematitum processing had procoagulant effects, and there was no significant difference.

Conclusion

The mineral material properties of haematitum are altered by processing, such as surface properties, mineral composition, elemental composition, and elemental valence. These findings provide evidence that processing reduces the toxicity of haematitum without affecting the efficacy.
目的血血是一种具有广泛临床用途的矿物药物,已有2000多年的历史。它具有一定的毒性,因此通常采用煅烧和淬火的方法进行加工,以减少其毒副作用。阐明赤铁矿的加工机理对赤铁矿的进一步开发具有重要意义。方法采用扫描电镜、zeta电位分析仪、比表面和孔隙度分析仪、x射线光电子能谱仪、电感耦合等离子体质谱仪和先进的矿物鉴定和表征系统对赤铁矿和加工赤铁矿(煅烧和醋淬)进行分析。此外,用小鼠模型评价了赤铁矿的毒性和促凝能力。结果处理后的赤铁矿比表面积由17.04减小到1.42 m2/g, zeta电位由- 24.00增加到- 16.60 mV。加工过的赤铁矿及其主要成分(石英除外)在粒度上都比赤铁矿大。处理后的赤铁矿中有毒重金属元素砷和铅分别降低了16.67 %和30.77 %。一些砷(III)元素在加工后被氧化成毒性小得多的砷(V)元素。赤铁矿中的铁(II)元素也部分氧化为铁(III)元素。高剂量的赤铁矿对小鼠的肺、肝和结肠都有毒性,处理过的赤铁矿的毒性显著降低。赤铁矿处理前后均有促凝作用,差异无统计学意义。结论加工过程改变了赤铁矿的矿物材料性质,如表面性质、矿物组成、元素组成和元素价态。这些发现提供了证据,证明加工可以在不影响功效的情况下减少赤铁矿的毒性。
{"title":"Mineralogical-based analysis of the toxicity reduction mechanism in haematitum processing","authors":"Min LU ,&nbsp;Cheng-Cheng WANG ,&nbsp;Juan LI ,&nbsp;Jing MING ,&nbsp;Guo-Hua ZHENG ,&nbsp;Bi-Sheng HUANG ,&nbsp;Yan CAO","doi":"10.1016/j.cjac.2025.100588","DOIUrl":"10.1016/j.cjac.2025.100588","url":null,"abstract":"<div><h3>Objective</h3><div>Haematitum is a mineral medicine with a wide range of clinical uses and has been in use for &gt; 2000 years. It has a certain degree of toxicity, so it is usually processed by calcination and quenching methods to reduce its toxic side effects. It is important to clarify the processing mechanism for the further development of haematitum.</div></div><div><h3>Methods</h3><div>Haematitum and processed haematitum (calcined and vinegar-quenched haematitum) were analyzed by scanning electron microscope, zeta potential analyzer, specific surface and porosity analyzer, X-ray photoelectron spectrometer, inductively coupled plasma mass spectrometer, and advanced mineral identification and characterization system. Moreover, evaluation of haematitum toxicity and procoagulant capacity using a mice model.</div></div><div><h3>Results</h3><div>The specific surface area of haematitum decreased from 17.04 to 1.42 m<sup>2</sup>/g and the zeta potential increased from −24.00 to −16.60 mV after processing. Processed haematitum and its major constituents (except quartz) are all larger in particle size than haematitum. The toxic heavy metal elements arsenic and lead in haematitum were reduced by 16.67 % and 30.77 % after processing, respectively. Some of the arsenic (III) elements are oxidized to the much less toxic arsenic (V) elements after processing. The iron (II) elements in haematitum are also partially oxidized to iron (III) elements. High doses of haematitum were toxic to the lungs, liver, and colon of mice, and the toxicity of processed haematitum was significantly reduced. Both before and after haematitum processing had procoagulant effects, and there was no significant difference.</div></div><div><h3>Conclusion</h3><div>The mineral material properties of haematitum are altered by processing, such as surface properties, mineral composition, elemental composition, and elemental valence. These findings provide evidence that processing reduces the toxicity of haematitum without affecting the efficacy.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 11","pages":"Article 100588"},"PeriodicalIF":1.3,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264943","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
Eco-friendly optical sensor for detecting bismuth(III) ions in environmental, pharmaceutical, and biological sources 环保光学传感器,用于检测环境,制药和生物来源中的铋(III)离子
IF 1.3 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-07-05 DOI: 10.1016/j.cjac.2025.100591
Ahmed H. ALANAZI , Amnah S AL-ZBEDY , Refat EL-SAYED , Khaled F. DEBBABI , Alaa S. AMIN
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 < 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.
介绍了一种高响应体光学传感器(optode),用于检测铋[Bi(III)]。该光电器件将四苯基硼酸钠(NaTPB)和2-(苯并噻唑偶氮)1,6-萘二醇(BTAND)集成到增塑剂聚氯乙烯(PVC)膜中,并加入邻硝基苯基辛基醚(o-NPOE)作为增塑剂。对pH、溶剂介质基质、试剂浓度等因素的影响进行了优化。结果表明,该方法具有快速、简便、检出限低(2.25 ng/mL)和良好的线性范围(7.5 ~ 220 ng/mL)的特点。该传感器表现出稳定性,即使在储存至少一个月后也保持不变。该传感器使用0.25 M硝酸(HNO3)溶液成功再生,并且在不同膜中对125 ng/mL Bi(III)进行6次重复测量时,其响应可逆,RSD为2.15%。尽管存在干扰阴离子和阳离子,但低检测限和优越的选择性促进了具有复杂基质的药物和环境样品中Bi(III)离子数量的准确和一致监测能力。
{"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 (HNO<sub>3</sub>) 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":"2025-07-05","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}
引用次数: 0
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Chinese Journal of Analytical Chemistry
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