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Synthesis and characterization of Pd-doped carbon dots (CDP) for the photocatalytic degradation of imidacloprid 光催化降解吡虫啉的掺杂碳点(CDP)合成及表征
IF 1.3 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-06-12 DOI: 10.1016/j.cjac.2025.100576
Rani , Faiz Ali , Mian Muhammad , Zeid A. AlOthman
An effective photo catalytic method utilizing fluorescent carbon dots (CDP) has been developed for the degradation of imidacloprid. The CDP were synthesized hydrothermally using fructose, palladium, and ethylene diamine and they were characterized via Fourier transform infrared spectroscopy (FTIR), scanning electron microscope (SEM), spectrofluorometer, ultraviolet-visible spectroscopy (UV-Vis), and energy dispersive X-ray spectroscopy (EDX) techniques. The key determinants were optimized and using the optimized conditions. 97 % photocatalytic degradation of imidacloprid was achieved in 40 min at 365 nm using 5.0 mg L1 of imidacloprid at pH 10. The catalyst loading, and the response time were effectively correlated, emphasizing the critical role in improving the degrading efficiency. The pseudo- first order and second order kinetic models were applied to the data showing the best fitting with pseudo-first order kinetic model. The CDP can be used for repeated cycles maintaining its degradation efficiency within reasonable limits. The results highlighted the promising potential of using carbon dots as effective photocatalytic materials which are cost effective and environmentally safe for water remediation.
研究了利用荧光碳点(CDP)光催化降解吡虫啉的方法。以果糖、钯和乙二胺为原料水热合成了CDP,并通过傅里叶变换红外光谱(FTIR)、扫描电子显微镜(SEM)、荧光光谱仪、紫外可见光谱(UV-Vis)和能量色散x射线光谱(EDX)技术对其进行了表征。利用优化后的工艺条件对关键决定因素进行了优化。使用5.0 mg L-1的吡虫啉,pH值为10,在365 nm波长下,在40 min内光催化降解了97% %的吡虫啉。催化剂负载与反应时间有效相关,强调了提高降解效率的关键作用。拟一阶和二阶动力学模型与拟一阶动力学模型拟合效果最好。CDP可以重复循环使用,使其降解效率保持在合理的范围内。结果表明,碳点作为一种具有成本效益和环境安全的有效光催化材料用于水的修复具有广阔的应用前景。
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引用次数: 0
Exploring the mechanism of Epimedium in diabetes mellitus treatment based on network pharmacology and molecular dynamics simulation 基于网络药理学和分子动力学模拟探讨淫羊藿治疗糖尿病的作用机制
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-06-10 DOI: 10.1016/j.cjac.2025.100574
Ma Guo-Hua , Xing Xin-Xin , Gao Yuan , He Yu-Fang , Zhao Yu-Wei , Zhao Jian-Hui , Ma Yang , Yin Yu-He , Nan Min-Lun
Epimedium (EP) and its extracts have been shown to be beneficial in the treatment of diabetes mellitus (DM). However, the specific active components and mechanisms whereby they exert their effects remain unclear. This paper will explore the mechanism of action of EP for the treatment of DM using network pharmacology. Traditional Chinese medicines systems pharmacology (TCMSP), Uniprot and Swiss Target Prediction databases were used to obtain compound and target information for EP. GeneCards database was used to obtain DM-related targets, and Cytoscape 3.8.0, Metascape and We Seng Xin platforms were used for network analyses. A total of 23 active components of EP, which are associated with its therapeutic effect in the treatment of DM, were identified by integrating the results of database search. Of the 234 targets, 44 key genes were found to be significantly enriched in the AKT1, TNF, PPARG and STAT3. Icaritin and icariin were identified as the core components affecting DM pathways. Molecular docking and kinetic simulation studies confirmed that the core components effectively bind to the above targets, meanwhile, in vivo and in vitro experiments showed that the core components have better hypoglycemic activity compared with the positive control. In conclusion, the therapeutic effects of EP in DM may be attributed to its bioactive components, such as icaritin and icariin. These components also modulate DM-related pathways, including glutathione metabolism, tryptophan peroxisome-related pathways, and peroxisomes. The present study provides valuable scientific insights into the pharmacological mechanisms underlying the action of EP in DM and highlights the potential of EP as a promising drug.
淫羊藿及其提取物已被证明对糖尿病(DM)的治疗有益。然而,它们发挥作用的具体活性成分和机制尚不清楚。本文将运用网络药理学方法探讨EP治疗糖尿病的作用机制。使用中药系统药理学(TCMSP)、Uniprot和Swiss Target Prediction数据库获取EP的化合物和靶点信息。使用GeneCards数据库获取dm相关靶点,使用Cytoscape 3.8.0、metscape和We Seng Xin平台进行网络分析。通过整合数据库检索结果,共鉴定出EP的23种活性成分,这些活性成分与EP治疗DM的疗效有关。在234个靶点中,发现有44个关键基因在AKT1、TNF、PPARG和STAT3中显著富集。淫羊藿苷和淫羊藿苷被确定为影响DM通路的核心成分。分子对接和动力学模拟研究证实,核心成分与上述靶点有效结合,同时体内和体外实验表明,核心成分与阳性对照相比具有更好的降糖活性。综上所述,EP对DM的治疗作用可能与其生物活性成分如淫羊藿苷和淫羊藿苷有关。这些成分也调节dm相关途径,包括谷胱甘肽代谢、色氨酸过氧化物酶体相关途径和过氧化物酶体。本研究为EP在糖尿病中作用的药理学机制提供了有价值的科学见解,并强调了EP作为一种有前景的药物的潜力。
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引用次数: 0
Advanced electrochemical detection of clindamycin from aqueous solutions using Zinc Aluminium layered double hydroxide: Green chemistry approaches and cytotoxicity evaluation 锌铝层状双氢氧化物对克林霉素水溶液的高级电化学检测:绿色化学方法及细胞毒性评价
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-06-10 DOI: 10.1016/j.cjac.2025.100553
Asmaa M.S. AHMED , Abdelatty M. RADALLA , Samar M. MAHGOUB , Saber A.A. ELSUCCARY , Mohamed Ali KORANY , Abeer Enaiet ALLAH , Fatma MOHAMED , Ahmed A. ALLAM , Haifa E. ALFASSAM , Rehab MAHMOUD
The widespread presence of antibiotics like clindamycin (CLN) in aquatic environments poses serious ecological and health risks. This study introduces a simple and cost-effective electrochemical sensor based on Zn-Al layered double hydroxide (LDH) nanoparticles, synthesized via coprecipitation, for CLN detection in environmental samples. Characterization by FTIR, SEM, TEM, BET, and TGA confirmed a porous, nano-flake structure conducive to enhanced electrocatalytic activity. The sensor exhibited excellent performance with a detection limit of 0.044 µM (0.0187 µg/mL), a quantification limit of 0.15 µM (0.0638 µg/mL), and a linear range of 4–700 µM, outperforming traditional HPLC methods. Optimal detection was achieved at pH 3.6, with good selectivity, stability, and reproducibility. Application to tap water, Nile river water, groundwater, and wastewater samples confirmed its practical utility. The method's environmental impact was evaluated using green chemistry metrics including AGREEprep, ESA, and AMVI demonstrating its eco-friendliness. Cytotoxicity testing on WI-38 cells showed concentration-dependent effects, supporting its safe use in environmental and biomedical contexts. The total cost of the material was estimated at 8.14 USD/g, confirming its affordability for large-scale applications.
克林霉素(CLN)等抗生素在水生环境中的广泛存在造成了严重的生态和健康风险。本研究介绍了一种基于共沉淀法合成的Zn-Al层状双氢氧化物(LDH)纳米粒子的简单、经济的电化学传感器,用于环境样品中的CLN检测。通过FTIR, SEM, TEM, BET和TGA表征,证实了多孔的纳米片状结构有利于提高电催化活性。该传感器的检测限为0.044µM(0.0187µg/mL),定量限为0.15µM(0.0638µg/mL),线性范围为4 ~ 700µM,优于传统的高效液相色谱方法。pH为3.6时检测效果最佳,具有良好的选择性、稳定性和重复性。自来水、尼罗河水、地下水和废水样品的应用证实了其实用性。采用绿色化学指标(包括AGREEprep、ESA和AMVI)对该方法的环境影响进行了评估,证明了其生态友好性。对WI-38细胞的细胞毒性测试显示出浓度依赖效应,支持其在环境和生物医学背景下的安全使用。该材料的总成本估计为8.14美元/克,证实了其大规模应用的可承受性。
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引用次数: 0
Simultaneous determination of five active compounds in compound Salvia Miltiorrhiza gel via multi-channel HPLC detection 多通道高效液相色谱法同时测定复方丹参凝胶中5种有效成分
IF 1.3 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-06-10 DOI: 10.1016/j.cjac.2025.100577
Hailong Li , Zheng Wang , Qingming Zhang , Wanting Wang , Peipei Han , Haoting Yu , Jiahui Ma , Xingde Zhang , Hui Xie , Hongli Yu

Objective

To establish a high-performance liquid chromatographic method (HPLC) for simultaneous determination of two phenolic acids (gallic acid, salvianolic acid B) and three quinones (cryptotanshinone, tanshinone I, tanshinone IIA) in Compound Salvia miltiorrhiza gel (CSG).

Methods

The HPLC method employs gradient elution with multi-channel to optimize detection sensitivity. Validation parameters include linearity, precision, stability, repeatability, and accuracy.

Results

All five compounds exhibit excellent linearity (R2 > 0.999) within their respective concentration ranges. The method demonstrates high precision (RSD < 2%), stability (RSD < 1.93%), repeatability (RSD < 1.90%), and accuracy (average recoveries: 98.93–101.31%). No interference is observed in negative control samples.

Conclusion

This validated HPLC method provides a robust and efficient approach for quality control of CSG, ensuring accurate quantification of its key bioactive components. The study supports the standardization of herbal gel formulations and offers a foundation for further pharmacological research.
目的建立同时测定复方丹参凝胶(CSG)中两种酚酸(没食子酸、丹酚酸B)和三种醌类(隐丹参酮、丹参酮I、丹参酮IIA)含量的高效液相色谱法。方法采用多通道梯度洗脱法优化检测灵敏度。验证参数包括线性度、精密度、稳定性、重复性和准确度。结果5种化合物均表现出良好的线性关系(R2 >;0.999),均在各自浓度范围内。该方法具有较高的精密度(RSD <;2%),稳定性(RSD <;1.93%),重复性(RSD <;平均加样回收率为98.93 ~ 101.31%。在阴性对照样品中未观察到干扰。结论建立的高效液相色谱法可有效控制龙葵药材的质量,保证其主要生物活性成分的准确定量。该研究支持了草药凝胶配方的标准化,并为进一步的药理学研究奠定了基础。
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引用次数: 0
Development of StatMS platform coupled with MS metabolomics identifies altitude-responsive metabolites in Coreopsis tinctoria Nutt․ StatMS平台的开发结合MS代谢组学鉴定了Coreopsis tinctoria Nutt .的海拔响应代谢物
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-05-29 DOI: 10.1016/j.cjac.2025.100569
Yinyu Chen , Hongji Zeng , Yu Song , Zhengyan Li , Ganghui Chu , Jing Tian , Hongchao Ji
The ‘Kunlun Snow Chrysanthemum’ (Coreopsis tinctoria Nutt.), a medicinal plant native to Xinjiang, China, is valued for its bioactive compounds and therapeutic properties. This study explores the impact of altitude on its metabolic profile using an integrated Liquid Chromatography-Mass Spectrometry (LC-MS) and Gas chromatography-mass spectrometry (GC–MS) metabolomics approach. Samples from four altitudes (∼1231 to ∼3200 m) were analyzed and revealed distinct metabolic variations across samples from different altitudes. To facilitate data analysis, we developed Statistical Metabolomics Suite (StatMS), a Python-based tool that provides preprocessing, statistical analysis, and interactive visualization. By integrating experimental analysis with data processing, this study offers new insights into the environmental influence on C. tinctoria’s metabolic composition, enhancing its potential as a high-value medicinal resource.
昆仑雪菊(Coreopsis tinctoria Nutt.)是一种原产于中国新疆的药用植物,因其生物活性化合物和治疗特性而受到重视。本研究利用液相色谱-质谱(LC-MS)和气相色谱-质谱(GC-MS)代谢组学方法探讨海拔对其代谢谱的影响。对来自四个海拔高度(~ 1231 ~ ~ 3200 m)的样本进行了分析,发现不同海拔高度的样本存在明显的代谢变化。为了便于数据分析,我们开发了统计代谢组学套件(StatMS),这是一个基于python的工具,提供预处理,统计分析和交互式可视化。本研究通过实验分析和数据处理相结合的方法,为了解环境对黄皮草代谢成分的影响提供了新的视角,提高了黄皮草作为高价值药用资源的潜力。
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引用次数: 0
Integrative systems biology in insomnia: Bridging traditional Chinese medicine and modern science 失眠的综合系统生物学:中医与现代科学的桥梁
IF 1.3 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-05-21 DOI: 10.1016/j.cjac.2025.100564
Xu Zhang , Shasha Zhang , Shanzhong Tan , Lizhong Guo
This article is interested in the applications and technological innovations of systems biology to insomnia research within an integrative framework of traditional Chinese medicine (TCM) and modern science. Insomnia, a common sleep disorder, is a significant global health threat and has emerged as an increasing public health concern. Systems biology, based on multi-omics technologies like genomics, proteomics, and metabolomics, enables the explanation of the complex mechanisms of insomnia in an integrative manner. This review considers the possibility of integrating TCM theories with systems biology for identifying new biomarkers and therapeutic targets. The advances such as genome-wide association studies and neurobiological observations are illuminating the pathophysiology of insomnia, which can be integrated with TCM concepts. Network pharmacology and multi-layered regulatory network modeling are highlighted as beneficial in clarifying the pathophysiological mechanisms involved in insomnia. The study emphasizes the importance of personalized medicine and envisions the convergence of TCM and contemporary scientific approaches in the future for better treatment of insomnia.
本文对系统生物学在中医与现代科学相结合的失眠研究中的应用和技术创新感兴趣。失眠是一种常见的睡眠障碍,是一个重大的全球健康威胁,并已成为一个日益严重的公共卫生问题。系统生物学基于多组学技术,如基因组学、蛋白质组学和代谢组学,能够以综合的方式解释失眠的复杂机制。这篇综述考虑了中医理论与系统生物学相结合的可能性,以确定新的生物标志物和治疗靶点。全基因组关联研究和神经生物学观察等方面的进展为失眠的病理生理学提供了新的思路,可以与中医概念相结合。网络药理学和多层调节网络模型强调有助于阐明失眠的病理生理机制。该研究强调了个性化医疗的重要性,并展望了中医与当代科学方法的融合,以更好地治疗失眠。
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引用次数: 0
Comparative analysis of Moringa stenopetala seed powder and aluminum sulfate for turbidity and E. coli removal from surface water: The case of bake pond, Borana zone, Ethiopia 辣木籽粉与硫酸铝对地表水浊度和大肠杆菌去除效果的比较分析——以埃塞俄比亚Borana地区焙烤池为例
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-05-20 DOI: 10.1016/j.cjac.2025.100539
Dereje Diriba CHEMEDA , Daniel FITAMO
In rural Borana, Ethiopia, limited access to potable water and the high cost of conventional water treatment methods have led many people to rely on turbid surface water for drinking, exposing them to waterborne diseases. A study was conducted to evaluate the effectiveness of Moringa stenopetala seed powder (MSP) as a natural coagulant for reducing turbidity and Escherichia coli (E. coli) levels in pond water, compared to the conventional coagulant, aluminum sulfate (alum). Water samples were treated with MSP or alum at dosages ranging from 0 to 130 mg/L. The study assessed the effects of initial pH (1.5 to 10.5), settling time (30 to 180 min), and initial turbidity (55 to 319 NTU) on coagulation efficiency for both coagulants. Turbidity, pH, and E. coli levels in the water samples were measured before and after treatment using a portable turbidity meter, portable pH meter, and membrane filtration, respectively. A one-way ANOVA was used to assess significant differences (p < 0.05) between MSP and alum in their coagulation effectiveness. After 120 min of settling, alum (70 mg/L) reduced turbidity from 216 NTU to 1.8 NTU (99.16% removal), while MSP (80 mg/L) reduced turbidity to 4.2 NTU (98.05% removal). Both coagulants achieved turbidity levels below the World Health Organization (WHO) standard of 5 NTU, with MSP showing similar efficacy to alum. In terms of E. coli reduction, alum at 70 mg/L reduced E. coli by 29.78% (from 47 to 33 CFU/100 mL), while MSP at 80 mg/L achieved a 95.74% reduction (to 2 CFU/100 mL). Additionally, MSP did not significantly (P < 0.05) alter the pH of treated water, unlike alum, which typically lowers the pH and requires post-treatment adjustment. These results suggest that MSP is a cost-effective and sustainable alternative to alum, particularly in rural areas like Borana, where access to clean water is limited.
在埃塞俄比亚的Borana农村,获得饮用水的机会有限,而传统的水处理方法成本高昂,导致许多人依赖浑浊的地表水饮用,使他们容易感染水传播疾病。研究了辣木籽粉(MSP)作为天然混凝剂,与常规混凝剂硫酸铝(明矾)相比,对降低池塘水中浊度和大肠杆菌(E. coli)水平的有效性进行了评价。水样用MSP或明矾处理,剂量范围为0 ~ 130 mg/L。该研究评估了初始pH值(1.5至10.5)、沉淀时间(30至180分钟)和初始浊度(55至319 NTU)对两种混凝剂混凝效率的影响。使用便携式浊度计、便携式pH计和膜过滤分别测量处理前后水样中的浊度、pH值和大肠杆菌水平。采用单因素方差分析评估显著性差异(p <;MSP与明矾的凝血效果差异为0.05)。沉淀120分钟后,明矾(70 mg/L)将浊度从216 NTU降至1.8 NTU(去除率99.16%),而MSP (80 mg/L)将浊度降至4.2 NTU(去除率98.05%)。两种混凝剂的浊度水平均低于世界卫生组织(WHO)的5 NTU标准,其中MSP的效果与明矾相似。在大肠杆菌还原方面,70 mg/L明矾对大肠杆菌的还原率为29.78%(从47 CFU/100 mL降至33 CFU/100 mL),而80 mg/L MSP对大肠杆菌的还原率为95.74%(至2 CFU/100 mL)。此外,MSP对MSP的影响不显著(P <;0.05)改变处理后水的pH值,而明矾通常会降低pH值,需要在处理后进行调整。这些结果表明,MSP是一种具有成本效益和可持续的明矾替代品,特别是在像Borana这样获得清洁水有限的农村地区。
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引用次数: 0
Pioneering spectrophotometric analysis of cilnidipine via coupling with amino reagents: application to pharmaceuticals and biological fluids 通过与氨基试剂偶联的西尼地平的开创性分光光度分析:在药品和生物流体中的应用
IF 1.3 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-05-13 DOI: 10.1016/j.cjac.2025.100563
Basima A.A. Saleem , Salim A. Mohammed , Amer Th. Al-Taee
Cilnidipine is an important antihypertensive medication within the dihydropyridine class of calcium channel blockers. The precise quantification of cilnidipine concentrations in pharmaceutical formulations and biological fluid samples is crucial for ensuring therapeutic efficacy and safety. Traditional analytical techniques for measuring cilnidipine amounts have included various methods, with oxidative coupling reactions proving particularly effective. This study presents a novel spectrophotometric method for cilnidipine quantification, employing oxidative coupling with 4-aminoAntipyrine and 4-amino diphenylamine. These reactions yield colored compounds that can be detected in the visible spectrum at wavelengths of 528 nm and 721 nm, significantly improving both sensitivity and accuracy. Methods A and B adhere to Beer's law across specified concentration ranges of 1–55 and 1–30 µg/mL, respectively, demonstrating high molar absorptivity of 1.098×104 L/(mol⋅cm) for method A and 2.1179×104 L/(mol⋅cm) for method B, which highlights their analytical robustness. The limit of detections (LOD) was estimation and found to be 0.1159 and 0.3865 µg/mL for methods A and B, correspondingly, while the limit of quantifications (LOQ) was 0.1976 (method A) and 0.5848 µg/mL (method B), showcasing their strong analytical performance. A thorough validation of linearity and precision was performed, with Sandell's sensitivity assessed at 0.04486 µg/cm2 for method A and 0.02325 µg/cm2 for method B. This innovative approach provides researchers and healthcare professionals with a reliable tool for accurate cilnidipine measurement, thereby enhancing treatment outcomes and ensuring high standards of pharmaceutical quality. The two suggested techniques effectively determined Cilnidipine; with a decent average recovery in pharmaceutical tablets 99.53%–100.2 % and in human urine and serum samples of 99.77%–100.58 %, no intrusions of co-existing additives present in commercial dosage forms were noted.
西尼地平是二氢吡啶类钙通道阻滞剂中重要的降压药物。药物制剂和生物液样品中西尼地平浓度的精确定量对确保治疗效果和安全性至关重要。测量西尼地平量的传统分析技术包括各种方法,氧化偶联反应被证明特别有效。本研究提出了一种利用4-氨基安替比林和4-氨基二苯胺氧化偶联分光光度法定量西尼地平的新方法。这些反应产生的有色化合物可以在528 nm和721 nm的可见光谱中检测到,显着提高了灵敏度和准确性。方法A和方法B在1-55µg/mL和1-30µg/mL的浓度范围内均符合比尔定律,方法A和方法B的摩尔吸光度分别为1.098×104 L/(mol⋅cm)和2.1179×104 L/(mol⋅cm),具有较高的分析鲁棒性。方法A和方法B的检出限分别为0.1159和0.3865µg/mL,定量限分别为0.1976和0.5848µg/mL,具有较强的分析性能。对线性度和精密度进行了彻底的验证,方法A和方法b的Sandell灵敏度分别为0.04486µg/cm2和0.02325µg/cm2。这种创新的方法为研究人员和医疗保健专业人员提供了一种可靠的工具,可以准确测量西尼地平,从而提高治疗效果并确保高标准的药品质量。两种方法均能有效测定西尼地平;药品片剂的平均回收率为99.53% ~ 100.2%,人尿和血清样品的平均回收率为99.77% ~ 100.58%,未发现商业剂型中存在共存添加剂的侵入。
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引用次数: 0
Main active components of Sishen Wan may modulate T cells-related proinflammatory cytokines via alleviating mitochondrial damage caused by oxidative stress in dextran sulphate sodium-induced ulcerative colitis 四神丸的主要活性成分可能通过减轻葡聚糖硫酸钠诱导的溃疡性结肠炎中氧化应激引起的线粒体损伤来调节T细胞相关的促炎细胞因子
IF 1.3 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-05-09 DOI: 10.1016/j.cjac.2025.100562
Ke LI , Weiguang LV , Boning ZHANG , Shengnan HAN , Jing HAN , Yu ZHANG , Wei WANG , Weiyu ZANG , Anqi YANG , Hongjia WANG , Chenggang ZHANG

Introduction

Sishen Wan (SSW), a classical traditional Chinese medicine decoction, is described to treat ulcerative colitis (UC) patients, but the molecular mechanisms of the main active ingredients of SSW on the interaction between mitochondria and T cells are still unclear. This study aimed to determine the main active ingredients of SSW, predict and explore the possible regulatory mechanism of main active ingredients of SSW in modulating mitochondrial function and ameliorating mitochondrial damage, followed by regulating T cell balance during UC development.

Methods

Colorimetric test and quantitative real-time polymerase chain reaction (qRT-PCR) were performed to evaluate the efficacy of SSW on inflammatory injuries of UC and preliminarily explore the mechanisms of SSW against oxidative stress. The main active components and their possible ligands were predicted by network pharmacology, molecular docking, dynamic simulation and three-dimensional-quantitative structure activity relationship (3D-QSAR). RNA-seq analysis and western blot (WB) was conduct to discover the impact of SSW on genetic profile changes, and discover and predict the potentials of anti-mitochondrial damage and proinflammatory T-cells of the selected bioactive compounds.

Results

SSW effectively ameliorated the colonic injuries and alleviated the oxidative stress in the dextran sulphate sodium (DSS)-induced UC. Angelicin, corylifolinin, psoralen and rutaecarpine, derived from SSW, were identified as the main components of SSW, and might interact with CYP2C9 and CYP1A1 due to the lowest binding energy. SSW alleviated UC via regulating genes related to mitochondrial function and T cell responses based on RNA-seq data. Cytc-related targets and T cell-associated proinflammatory cytokines were downregulated, while mtDNA repairing-related targets were upregulated with SSW intervention. Moreover, the caspase, inflammasome and Th1 and Th17 polarizing-related genes are positively correlated with cytochrome C oxidase (COX), caspase and inflammasome-associated genes, respectively.

Conclusion

Taken together, this study not only identifies the main bioactive ingredients of SSW and their possible ligands, but also provides angelicin, corylifolinin, psoralen and rutaecarpine may alleviate oxidative stress and mitochondrial damage, followed by modulating Th1 and Th17-related proinflammatory cytokines.
四神丸(SSW)是一种治疗溃疡性结肠炎(UC)的经典中药汤剂,但其主要活性成分对线粒体与T细胞相互作用的分子机制尚不清楚。本研究旨在确定SSW的主要活性成分,预测并探讨SSW主要活性成分在UC发育过程中调节线粒体功能、改善线粒体损伤,进而调节T细胞平衡的可能调控机制。方法采用荧光定量法和实时荧光定量聚合酶链反应(qRT-PCR)评价SSW对UC炎症损伤的疗效,并初步探讨SSW抗氧化应激的作用机制。通过网络药理学、分子对接、动态模拟、三维定量构效关系(3D-QSAR)等方法预测主要活性成分及其可能的配体。通过RNA-seq分析和western blot (WB)分析SSW对遗传谱变化的影响,发现并预测所选生物活性化合物抗线粒体损伤和促炎t细胞的潜力。结果sssw能有效改善葡聚糖硫酸钠(DSS)所致UC的结肠损伤,减轻氧化应激。从SSW中提取的Angelicin、corylifolinin、补骨脂素和rutaecarpine是SSW的主要成分,由于其结合能最低,可能与CYP2C9和CYP1A1相互作用。根据RNA-seq数据,SSW通过调节线粒体功能和T细胞反应相关基因来缓解UC。在SSW干预下,细胞相关靶点和T细胞相关促炎细胞因子下调,而mtDNA修复相关靶点上调。此外,caspase、炎性小体以及Th1和Th17极化相关基因分别与细胞色素C氧化酶(COX)、caspase和炎性小体相关基因呈正相关。综上所述,本研究不仅确定了SSW的主要生物活性成分及其可能的配体,还提供了当归素、石竹脂素、补骨脂素和芦果卡果素可能减轻氧化应激和线粒体损伤,进而调节Th1和th17相关的促炎细胞因子。
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引用次数: 0
Eco-friendly new kinetic spectrophotometric method for analysis of azithromycin in dosage forms and spiked human plasma 新型环保动力学分光光度法分析阿奇霉素剂型和加标血浆
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-05-09 DOI: 10.1016/j.cjac.2025.100561
Safwan Ashour
A new kinetic technique to quantify azithromycin in dosage forms and plasma was interesting through the reaction of azithromycin dihydrate (AZT) with 1,2-naphthoquinone-4-sulphonate (NQS) in an alkaline medium. The formed stable product was followed by measuring the increased absorbance with time at 452 nm. Four kinetic procedures were applied for the determination of AZT, the initial rate and fixed time (at 20 min) methods are the most suitable for plotting the calibration graphs in the concentration ranges 1.50–30.00 and 1.50–33.00 μg/mL with detection limits of 0.023 and 0.018 μg/mL, respectively. The Ea, ΔH, ΔS, and ΔG are evaluated for the reaction and found to be 8.177 kJ/mol, 5.742 kJ/mol, –198.34 J/K mole, and 64.846 kJ/mol, respectively. The suggested kinetic methods were applied to determine AZT in marketed formulations and spiked human plasma, and were found to be more sustainable, eco-friendly, efficient, and practicable than the reported BP method, by applying green and white tools; AES, AGREE, AGREEprep, GAPI, and RGB, making it a safer alternative to be considered.
通过二水合阿奇霉素(AZT)与1,2-萘醌-4-磺酸钠(NQS)在碱性介质中的反应,建立了一种新的定量阿奇霉素剂型和血浆动力学技术。在452nm处测定吸光度随时间的增加,形成稳定的产物。采用4种动力学方法对AZT进行测定,其中初始速率法和固定时间(20 min)法在浓度范围为1.50 ~ 30.00和1.50 ~ 33.00 μg/mL范围内最适合绘制校准图,检出限分别为0.023和0.018 μg/mL。对反应的Ea、ΔH‡、ΔS‡和ΔG‡进行了评估,分别为8.177 kJ/mol、5.742 kJ/mol、-198.34 J/K mol和64.846 kJ/mol。将所建议的动力学方法应用于市售制剂和人血浆中AZT的测定,通过使用绿色和白色的工具,发现比已有的BP方法更具可持续性、环保性、效率和实用性;AES, AGREE, AGREEprep, GAPI和RGB,使其成为更安全的替代方案。
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Chinese Journal of Analytical Chemistry
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