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Regulation of PPARγ/RXRα signaling pathway by Huaji Jianpi decoction in the prevention and treatment of simple obesity
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-01 DOI: 10.1016/j.cjac.2024.100466
Xuefeng REN , Jinghui ZHANG , Hongwei XIANG , Qing ZHOU , Shaoqin GE , Huiling XUE

Introduction

Simple obesity is a common metabolic disease, which threatens human health. Huaji Jianpi Decoction (HJJPD), as a compound of traditional Chinese medicine, has significant advantages in the treatment of simple obesity, but its specific mechanism is still unclear. This paper was designed to explore the mechanism of HJJPD to exert weight loss effect by affecting PPARγ/RXRα signaling pathway through network pharmacology and animal experiments.

Methods

The network pharmacology method was used to construct the chemical component-target network of HJJPD. The key targets of HJJPD on PPARγ/RXRα signaling pathway were identified by protein interaction (PPI) network and enrichment analysis. Animal experiments were used to evaluate the efficacy of HJJPD in treating simple obesity.

Results

A total of 115 active components and 280 targets were identified. 102 targets related to signal pathway were retrieved from STRING database. 23 intersection targets were obtained by Venn diagram visualization analysis. 11 key targets were obtained by the evaluation of network topology parameters. Animal experiments show that HJJPD could reduce the body weight of mice, Lee’s index, blood lipids, inhibit inflammatory factors, and improve the lipid accumulation of liver. Moreover, HJJPD could significantly regulate the mRNA and proteins expression levels of PPARγ, RXRα, and ADIPOQ.

Conclusion

HJJPD can prevent and treat simple obesity, repair liver structure and reduce inflammation in vivo by regulating PPARγ/RXRα signaling pathway.
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引用次数: 0
Corrigendum to “A pilot study on the mechanism of Guasha in treating Parkinson's disease based on molecular level and ultra-trace proteomics analysis” [Chinese Journal of Analytical Chemistry 52 (2024) 1–14/100402] 基于分子水平和超痕量蛋白质组学分析的刮痧治疗帕金森病机制的试验研究》[《中国分析化学杂志》52 (2024) 1-14/100402] 勘误表
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2024-11-25 DOI: 10.1016/j.cjac.2024.100455
Qiuqin WANG , Li ZHANG , Heng WENG , Qing WANG , Penglu CHEN , Hua CHEN , Rongrong JIANG , Guihua XU , Yamei BAI , Xi CHEN
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引用次数: 0
A highly selective and sensitive carbazole-based fluorescent probe for peroxynitrite detection and cellular imaging 一种高选择性、高灵敏度的咔唑基荧光探针,用于过亚硝酸盐检测和细胞成像
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2024-11-01 DOI: 10.1016/j.cjac.2024.100456
Said ALAM , Linchuan LU , Xuanzuo TAO , Yanxia MAO , Shaojun ZHENG , Chunhui JIANG , Shu-Yang CHEN , Hongfei LU
Peroxynitrite, a colorless and odorless reactive nitrogen species, plays a critical role in various physiological processes within biological systems. Therefore, developing a reliable method for quantitative detection of peroxynitrite in living systems is essential. In this study, we synthesized a simple, two-step, reaction-based fluorescent probe, designated as EHMC, specifically for peroxynitrite detection. The synthesis involved the use of 4-(9-phenyl-9H-carbazol-3-yl)benzaldehyde as the fluorophore and 2-hydrazineylpyridine as the recognition group, both of which exhibit inherently weak fluorescence. Upon oxidation of the C = N bond by peroxynitrite, EHMC undergoes conversion into an aldehyde, resulting in a significant fluorescence response. EHMC demonstrated high selectivity and sensitivity, achieving a detection limit of 5.43 µM under physiological conditions. Additionally, EHMC was successfully applied to HeLa cellular models, where it exhibited excellent cellular imaging capability for peroxynitrite detection in living systems.
过亚硝酸盐是一种无色无味的活性氮物种,在生物系统的各种生理过程中发挥着至关重要的作用。因此,开发一种可靠的方法来定量检测生命系统中的过氧化亚硝酸盐至关重要。在这项研究中,我们合成了一种简单的、基于两步反应的荧光探针,命名为 EHMC,专门用于过亚硝酸盐的检测。在合成过程中,我们使用 4-(9-苯基-9H-咔唑-3-基)苯甲醛作为荧光团,2-肼基吡啶作为识别基团。当 C = N 键被过氧化亚硝酸盐氧化时,EHMC 会转化为醛,从而产生明显的荧光反应。EHMC 具有很高的选择性和灵敏度,生理条件下的检测限为 5.43 µM。此外,EHMC 还成功地应用于 HeLa 细胞模型,在活体系统中进行过亚硝酸盐检测时,EHMC 表现出卓越的细胞成像能力。
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引用次数: 0
A flexible electrochemical sensor based on AuBi bimetal for detection of Cd ions in packaged drinking water 基于金铋双金属的柔性电化学传感器,用于检测包装饮用水中的镉离子
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2024-11-01 DOI: 10.1016/j.cjac.2024.100457
Mei WANG , Fang LIU , Yingkuan SUN , Liying JIANG
Heavy metal ion Cd, as a toxic pollutant, can accumulate in human body through the bioaccumulation effect of food chain and poses a threat to human health. Packaged drinking water is one of the main water sources for many people, making it crucial to detect their cadmium ion levels. In this work, an AuBi bimetal film was electrodeposited onto a flexible screen-printed electrode to construct highly sensitive cadmium ion sensors. The prepared sensor could enrich trace cadmium ions in the target electrolyte, followed by sensitive detection of cadmium ions using stripping wave voltammetry. The electrochemical results demonstrated that the developed sensor based on AuBi bimetal exhibited a significant linear response to cadmium ions in the range of 50 μg/L to 800 μg/L, with a low detection limit of 11.68 μg/L (S/N = 3), and it also showed good repeatability. The prepared flexible electrochemical sensor was employed to detect the cadmium ion level in five common types of packaged drinking water available on the market, and the relative standard deviation (RSD) and recovery were within normal ranges, indicating that it could achieve rapid and sensitive detection of cadmium ion level in drinking water and other foodstuffs.
重金属镉离子作为一种有毒污染物,可通过食物链的生物累积效应在人体内蓄积,对人体健康构成威胁。包装饮用水是许多人的主要水源之一,因此检测其镉离子含量至关重要。本研究将金铋双金属薄膜电沉积到柔性丝网印刷电极上,构建了高灵敏度的镉离子传感器。制备的传感器可以富集目标电解液中的痕量镉离子,然后利用剥离波伏安法灵敏地检测镉离子。电化学结果表明,所开发的基于 AuBi 双金属的传感器在 50 μg/L 至 800 μg/L 范围内对镉离子具有明显的线性响应,检出限低至 11.68 μg/L(信噪比为 3),并且具有良好的重复性。将制备的柔性电化学传感器用于检测市场上常见的五种包装饮用水中的镉离子含量,其相对标准偏差(RSD)和回收率均在正常范围内,表明它可以实现对饮用水和其他食品中镉离子含量的快速灵敏检测。
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引用次数: 0
Metabolomics analysis reveals that Qingxiangyin improves central precocious puberty through 13S-hydroxyoctadecadienoic acid mediated linoleic acid metabolic for regulating the PPAR pathways 代谢组学分析揭示清香药通过13S-羟基十八碳二烯酸介导的亚油酸代谢改善中枢性性早熟,从而调节PPAR通路
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2024-11-01 DOI: 10.1016/j.cjac.2024.100454
Yiyuan CHEN, Jing LI
The occurrence of central precocious puberty (CPP) among children which is induced by untimely activation of the hypothalamic-pituitary-gonadal (HPG) axis is increasing gradually. Traditional Chinese Medicine endeavors to eradicate or mitigate the underlying factors and thereby reestablish the balance within the physiological system, Qingxiangyin (QXY) is a Chinese medicine that can effectively improve CPP via balancing Yin and Yang. However, the metabolic regulation mechanism of QXY on CPP is still unclear. Here, we established a CPP mouse model, and carried out Leuprorelin (lep), Qingxiangyin high (QXY-h), middle (QXY-M) and low (QXY-L) treatment. The metabolic profile of hypothalamus was evaluated by LC-MS/MS. The major differentially expressed metabolites (DEMs) between the CPP model and blank group were (S)-Abscisic acid, Methylmalonic acid, 2-Oxo-4-methylthiobutanoic acid. The main metabolites in QXY-h vs model were pyridoxal phosphate, phenylpyruvate and palmitoylcarnitine. There were 14 distinct metabolites in the model vs. QXY-M group, among which 3 were up-regulated and 11 were down-regulated. The principal metabolite was succinic acid, phenylpyruvic acid and 13S‑hydroxy-octanadienoic acid. QXY-L induced alterations in 20 metabolites in CPP, with 5 metabolites up-regulated and 15 metabolites down-regulated. The major metabolites were 13S-hydroxyoctaenodienoic acid, benzoylamine, cyclohexanamine and palmitic acid. QXY-mediated metabolites were involved in “PPAR signaling pathway”, “linoleic acid metabolism”, “Lysine degradation” in CPP. In conclusion, the 13S-hydroxyoctadecadienoic acid mediateed linoleic acid metabolism for regulating the PPAR signaling pathway is the key mechanisms by which QXY affects CPP. Our results provide insights into the study of QXY therapy for CPP.
由于下丘脑-垂体-性腺轴(HPG)的不适时激活而诱发的儿童中枢性性早熟(CPP)的发生率正逐渐上升。中医药致力于消除或缓解潜在的因素,从而重建生理系统的平衡,清热解毒药(QXY)就是一种能通过平衡阴阳有效改善 CPP 的中药。然而,清热解毒药对 CPP 的代谢调节机制尚不清楚。在此,我们建立了一个 CPP 小鼠模型,并进行了亮丙瑞林(lep)、清香菌素高剂量(QXY-h)、中剂量(QXY-M)和低剂量(QXY-L)治疗。LC-MS/MS 对下丘脑的代谢谱进行了评估。CPP模型与空白组之间的主要差异表达代谢物(DEMs)为(S)-麦角酸、甲基丙二酸、2-氧代-4-甲硫基丁酸。QXY-h vs 模型的主要代谢物是磷酸吡哆醛、苯丙酮酸和棕榈酰肉碱。模型组与 QXY-M 组有 14 种不同的代谢物,其中 3 种上调,11 种下调。主要代谢物是琥珀酸、苯丙酮酸和 13S-hydroxy-octanadienoic acid。QXY-L 诱导了 CPP 中 20 种代谢物的改变,其中 5 种代谢物上调,15 种代谢物下调。主要代谢物为 13S-羟基辛二烯酸、苯甲酰胺、环己胺和棕榈酸。QXY 介导的代谢物参与了 CPP 的 "PPAR 信号通路"、"亚油酸代谢 "和 "赖氨酸降解"。总之,13S-羟基十八碳二烯酸介导的亚油酸代谢调节 PPAR 信号通路是 QXY 影响 CPP 的关键机制。我们的研究结果为研究 QXY 治疗 CPP 提供了启示。
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引用次数: 0
Renal protective effect of Isaria felina mycelium powder on diet and STZ-induced diabetes mice and the identification of major chemical constituents 鱼腥草菌丝粉对饮食和 STZ 诱导的糖尿病小鼠的肾脏保护作用及主要化学成分的鉴定
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2024-11-01 DOI: 10.1016/j.cjac.2024.100451
Ziyang HUANG , Jingjing CHEN , Lili ZHAO , Lixia CHEN , Yuxin YANG , Junjun LI , Jing WANG , Yongming YANG , Lei YAN , Guoyan YU , Xiaowei SHI , Yiyin ZHANG , Yanlin YU , Sujiao LIANG , Xihua YANG
Type 2 diabetes is a group of metabolic diseases mainly characterized by chronic hyperglycemia. Diabetic kidney disease is the most common microvascular complication of diabetes.
The aim of this study was to investigate the therapeutic effect of Isaria felina mycelium powder (IFMP) on diet and streptozotocin (STZ)-induced diabetic mouse model. And we analyze the main chemical constituents of Isaria felina mycelium powder.
The main chemical constituents of the alcohol-soluble IFMP were prepared and identified by high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (HPLC-Q-TOF-MS). The fasting blood glucose and renal index of the mouse model was determined. Serum levels of triglyceride (TG), total cholesterol (TC), serum creatinine (Scr) and blood urea nitrogen (BUN) were detected. The levels of CD2AP and nephrin proteins in the kidney were detected by ELISA kits.
A total of 32 compounds were identified, including nucleosides (16 types), amino acids (13 types), sterols (one type) and glycosides (two types). The experimental results showed that compared with the diabetes model group, IFMP reduced fasting blood glucose, food intake and water intake. Biochemical analysis indicated that IFMP reduced the serum levels of TG, TC, BUN and Scr, and increased the levels of CD2AP and nephrin proteins in the kidneys.
Therefore, IFMP has the potential to treat diabetes and prevent kidney damage induced by hyperglycemia.
2型糖尿病是一组以慢性高血糖为主要特征的代谢性疾病。本研究旨在探讨刺五加菌丝体粉(IFMP)对饮食和链脲佐菌素(STZ)诱导的糖尿病小鼠模型的治疗效果,并分析刺五加菌丝体粉的主要化学成分。采用高效液相色谱-四极杆飞行时间质谱法(HPLC-Q-TOF-MS)制备并鉴定了醇溶性IFMP的主要化学成分。测定了小鼠模型的空腹血糖和肾脏指数。检测了血清甘油三酯(TG)、总胆固醇(TC)、血清肌酐(Scr)和血尿素氮(BUN)的水平。共鉴定出 32 种化合物,包括核苷类(16 种)、氨基酸类(13 种)、甾醇类(1 种)和苷类(2 种)。实验结果表明,与糖尿病模型组相比,IFMP 降低了空腹血糖、进食量和饮水量。生化分析表明,IFMP降低了血清中TG、TC、BUN和Scr的水平,提高了肾脏中CD2AP和肾素蛋白的水平。
{"title":"Renal protective effect of Isaria felina mycelium powder on diet and STZ-induced diabetes mice and the identification of major chemical constituents","authors":"Ziyang HUANG ,&nbsp;Jingjing CHEN ,&nbsp;Lili ZHAO ,&nbsp;Lixia CHEN ,&nbsp;Yuxin YANG ,&nbsp;Junjun LI ,&nbsp;Jing WANG ,&nbsp;Yongming YANG ,&nbsp;Lei YAN ,&nbsp;Guoyan YU ,&nbsp;Xiaowei SHI ,&nbsp;Yiyin ZHANG ,&nbsp;Yanlin YU ,&nbsp;Sujiao LIANG ,&nbsp;Xihua YANG","doi":"10.1016/j.cjac.2024.100451","DOIUrl":"10.1016/j.cjac.2024.100451","url":null,"abstract":"<div><div>Type 2 diabetes is a group of metabolic diseases mainly characterized by chronic hyperglycemia. Diabetic kidney disease is the most common microvascular complication of diabetes.</div><div>The aim of this study was to investigate the therapeutic effect of <em>Isaria felina</em> mycelium powder (IFMP) on diet and streptozotocin (STZ)-induced diabetic mouse model. And we analyze the main chemical constituents of <em>Isaria felina</em> mycelium powder.</div><div>The main chemical constituents of the alcohol-soluble IFMP were prepared and identified by high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (HPLC-Q-TOF-MS). The fasting blood glucose and renal index of the mouse model was determined. Serum levels of triglyceride (TG), total cholesterol (TC), serum creatinine (Scr) and blood urea nitrogen (BUN) were detected. The levels of CD2AP and nephrin proteins in the kidney were detected by ELISA kits.</div><div>A total of 32 compounds were identified, including nucleosides (16 types), amino acids (13 types), sterols (one type) and glycosides (two types). The experimental results showed that compared with the diabetes model group, IFMP reduced fasting blood glucose, food intake and water intake. Biochemical analysis indicated that IFMP reduced the serum levels of TG, TC, BUN and Scr, and increased the levels of CD2AP and nephrin proteins in the kidneys.</div><div>Therefore, IFMP has the potential to treat diabetes and prevent kidney damage induced by hyperglycemia.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 11","pages":"Article 100451"},"PeriodicalIF":1.2,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142653973","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Determination of microplastic release from disposable plastic containers in Isfahan 测定伊斯法罕一次性塑料容器中的微塑料释放量
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2024-11-01 DOI: 10.1016/j.cjac.2024.100448
Roya KELISHADI , Ali AGHABABAI BENI , Karim EBRAHIMPOUR , Motahar HEIDARI-BENI
The widespread release of microplastics from disposable food containers raises significant concerns for health and the environment. This study aimed to elucidate the underlying mechanisms of microplastic release by exploring various factors, including temperature variations and the impact of spoon contact on disposable utensils. A total of 30 samples of disposable polystyrene containers were randomly selected from markets in Isfahan, Iran. Advanced analytical techniques, including Fourier transform infrared spectroscopy, field emission scanning electron microscopy, dynamic light scattering, X-ray diffraction, and Raman spectroscopy, were employed for comprehensive analysis. The results unequivocally established the chemical and structural similarity between the microplastics released from these containers and polystyrene. Furthermore, the study revealed that both elevated temperatures and the physical agitation caused by spoon contact significantly increased the release of microplastics from the containers. The maximum amount of microplastics released was 30 mg at 120 °C when only water was circulated in the container, while it increased to 56 mg at 120 °C when the spoon was also moved inside the containers.
一次性食品容器中广泛释放的微塑料引起了人们对健康和环境的极大关注。本研究旨在通过探讨各种因素,包括温度变化和勺子接触一次性餐具的影响,来阐明微塑料释放的内在机制。研究人员从伊朗伊斯法罕的市场上随机抽取了 30 个一次性聚苯乙烯容器样本。采用傅立叶变换红外光谱、场发射扫描电子显微镜、动态光散射、X 射线衍射和拉曼光谱等先进分析技术进行了综合分析。结果明确证实了这些容器释放的微塑料与聚苯乙烯在化学和结构上的相似性。此外,研究还发现,温度升高和勺子接触造成的物理搅拌都会显著增加容器中微塑料的释放量。当容器中只有水循环时,微塑料的最大释放量为 30 毫克(120 °C);而当勺子也在容器内移动时,微塑料的最大释放量增至 56 毫克(120 °C)。
{"title":"Determination of microplastic release from disposable plastic containers in Isfahan","authors":"Roya KELISHADI ,&nbsp;Ali AGHABABAI BENI ,&nbsp;Karim EBRAHIMPOUR ,&nbsp;Motahar HEIDARI-BENI","doi":"10.1016/j.cjac.2024.100448","DOIUrl":"10.1016/j.cjac.2024.100448","url":null,"abstract":"<div><div>The widespread release of microplastics from disposable food containers raises significant concerns for health and the environment. This study aimed to elucidate the underlying mechanisms of microplastic release by exploring various factors, including temperature variations and the impact of spoon contact on disposable utensils. A total of 30 samples of disposable polystyrene containers were randomly selected from markets in Isfahan, Iran. Advanced analytical techniques, including Fourier transform infrared spectroscopy, field emission scanning electron microscopy, dynamic light scattering, X-ray diffraction, and Raman spectroscopy, were employed for comprehensive analysis. The results unequivocally established the chemical and structural similarity between the microplastics released from these containers and polystyrene. Furthermore, the study revealed that both elevated temperatures and the physical agitation caused by spoon contact significantly increased the release of microplastics from the containers. The maximum amount of microplastics released was 30 mg at 120 °C when only water was circulated in the container, while it increased to 56 mg at 120 °C when the spoon was also moved inside the containers.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"52 11","pages":"Article 100448"},"PeriodicalIF":1.2,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142653972","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A development in greener microextraction methods for analysis of pesticide residues in environmental water samples: A review 用于分析环境水样中农药残留的绿色微萃取方法的发展:综述
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2024-11-01 DOI: 10.1016/j.cjac.2024.100458
Endalkachew ETANA , Birhanu MEKASSA
Pesticide residues in water are gaining prominence as one of the most serious water quality challenges. Their analysis requires advanced sample preparation and instrumental techniques. However, there is a continuing challenge mainly because of the trace quantities as well as the high amount of interfering substances which can be co-extracted with them, frequently leading to method errors and damages the efficiency of analytical instruments. Thus, the development of greener microextraction techniques for pesticide analysis is very important since it reduces overall sample preparation time, use fewer organic solvents, produce less wastes, has adequate extraction and clean up capacity for the target analytes, and removes interferents from the complex sample that can affect instrumental performance. This paper focuses on reviewing greener microextraction methods used in the analysis of pesticide residues in environmental water samples. The microextraction methods include: liquid phase microextraction (LPME), solid phase microextraction (SPME), dispersive liquid-liquid microextraction (DLLME), hollow fiber liquid phase microextraction (HF-LPME), stir bar sorptive extraction (SBSE) and single drop microextraction (SDME). This review paper also presents the development, advantage and disadvantage, green aspects and sample preparation technique of each microextraction methods for analysis of pesticide residues in water matrix. Moreover, the different analytical techniques used for determination of the required analyte from water matrix after extraction steps were also addressed.
水体中的农药残留作为最严峻的水质挑战之一正日益突出。对其进行分析需要先进的样品制备和仪器技术。然而,由于农药残留的痕量和大量干扰物质会与农药一起被萃取出来,从而经常导致方法错误和损害分析仪器的效率,这也是一个持续的挑战。因此,开发用于农药分析的绿色微萃取技术非常重要,因为它可以减少整个样品制备时间,减少有机溶剂的使用,减少废物的产生,对目标分析物有足够的萃取和净化能力,并能去除复杂样品中可能影响仪器性能的干扰物。本文重点评述了用于分析环境水样中农药残留的绿色微萃取方法。这些微萃取方法包括:液相微萃取(LPME)、固相微萃取(SPME)、分散液-液微萃取(DLLME)、中空纤维液相微萃取(HF-LPME)、搅拌棒吸附萃取(SBSE)和单滴微萃取(SDME)。本文还介绍了每种微萃取方法的发展、优缺点、绿色环保方面以及用于分析水基质中农药残留的样品制备技术。此外,还介绍了用于测定萃取步骤后水基质中所需分析物的不同分析技术。
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引用次数: 0
Potential molecular mechanisms of Danggui-Shaoyao-San in the treatment of melasma based on network pharmacology with molecular docking 基于网络药理学与分子对接的当归芍药散治疗黄褐斑的潜在分子机制
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2024-10-01 DOI: 10.1016/j.cjac.2024.100449
Yuehan HUANG , Guo XU , Lin ZHU , Qiao JIN , Tianran CHEN
Although Danggui-Shaoyao-San (DSS) is frequently used in China to treat melasma, its underlying mechanism still needs to be better understood. Our aim is to determine the mechanism behind DSS in treating melasma through network pharmacology (NP). The DSS active compounds alongside corresponding target genes are identified by accessing the TCMSP database and SwissTargetPrediction. Melasma-associated targets are retrieved from the GeneCards, DisGeNet, Durgbanks, OMIM, and TTD databases. Next, we build a component-target association network via Cytoscape software while generating a protein-protein interaction network utilizing the STRING database. Subsequently, both core target genes and active compounds are determined. Through the DAVID database and Bioinformatics tools, Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses are conducted. Lastly, the CB-Dock2 server is deployed to conduct molecular docking (MOD). The results manifest that alisol B, cerevisterol, and Wallichilide, among others, are active compounds in DSS, while PTGS2, ESR1, and ESR2 are core target genes. Both GO and KEGG analyses showcase that the potential core drug components modulate pathways in cancer, chemical carcinogenesis-receptor activation, calcium, relaxin, and estrogen signaling by exerting their effects on biological processes. These processes include negative gene expression regulation as well as positive regulation of both cytosolic calcium ion concentration and transcription from the RNA polymerase II promoter, thereby playing an anti-melasma pharmacological role. The MOD displays that core target genes have good binding activity with the active compounds. To conclude, NP demonstrates that DSS can serve as an innovative medication for treating melasma.
虽然当归芍药散(DSS)在中国常用于治疗黄褐斑,但其潜在机制仍有待进一步了解。我们的目的是通过网络药理学(NP)确定党参皂苷治疗黄褐斑的机制。通过访问 TCMSP 数据库和 SwissTargetPrediction,确定 DSS 活性化合物和相应的靶基因。与黄褐斑相关的靶基因则从 GeneCards、DisGeNet、Durgbanks、OMIM 和 TTD 数据库中获取。接着,我们通过 Cytoscape 软件建立了一个成分-靶标关联网络,同时利用 STRING 数据库生成了一个蛋白质-蛋白质相互作用网络。随后,我们确定了核心靶基因和活性化合物。通过 DAVID 数据库和生物信息学工具,进行了基因本体(GO)和京都基因组百科全书(KEGG)富集分析。最后,使用 CB-Dock2 服务器进行分子对接(MOD)。结果表明,阿利索尔 B、麦角甾醇和瓦利西利内酯等是 DSS 中的活性化合物,而 PTGS2、ESR1 和 ESR2 是核心靶基因。GO 和 KEGG 分析表明,潜在的核心药物成分通过对生物过程施加影响,调节了癌症、化学致癌物-受体激活、钙、松弛素和雌激素信号转导的通路。这些过程包括基因表达负调控以及细胞膜钙离子浓度和 RNA 聚合酶 II 启动子转录的正调控,从而发挥抗黄褐斑的药理作用。MOD 显示,核心靶基因与活性化合物具有良好的结合活性。总之,NP 证明了 DSS 可作为治疗黄褐斑的创新药物。
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引用次数: 0
Numerical simulation of droplet formation in a Co-flow microchannel capillary device 共流式微通道毛细管装置中液滴形成的数值模拟
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2024-10-01 DOI: 10.1016/j.cjac.2024.100439
Peihua ZHANG , Hongwei YAN , Xiaoxiao CHU , Xueye CHEN
In this article, a numerical simulation of the droplet formation in a Co-flow microchannel capillary device, and the influencing factors of the formation of droplets are studied. The level set method is used to track the two-phase interface and droplet formation. In the Co-flow focusing device, we explored the influencing factors of the size of the generated droplets. In the Co-flow focusing device, we explored the influences of various factors on the droplet size, generation frequency, and the droplet pressure at the centerline. The results demonstrate that an increased ratio of dispersed phase velocity to continuous phase velocity leads to a significant increase in the volume of generated droplets, a significant decrease in droplet generation frequency, and a significant decrease in droplet pressure at the centerline. Furthermore, as the viscosity of continuous phase increases, the volume of generated droplets decreases significantly, the frequency of droplet generation increases significantly, and the pressure of droplets at the centerline decreases significantly. Additionally, an elevated contact angle between the continuous phase and the wall results in a slight increase in the volume of generated droplets, alongside a reduction in droplet generation frequency and a decrease in droplet pressure at the centerline. Moreover, with the increase in interfacial tension, there is a significant increase in the volume of droplet generation, a significant decrease in the frequency of droplet generation, and a significant increase in the pressure of droplets at the centerline.
本文对共流式微通道毛细管装置中液滴的形成进行了数值模拟,并研究了液滴形成的影响因素。采用水平集方法跟踪两相界面和液滴的形成。在共流聚焦装置中,我们探讨了生成液滴大小的影响因素。在共流聚焦装置中,我们探索了各种因素对液滴大小、生成频率和中心线处液滴压力的影响。结果表明,分散相速度与连续相速度之比增加会导致生成液滴的体积显著增加,液滴生成频率显著降低,中心线处的液滴压力显著降低。此外,随着连续相粘度的增加,生成液滴的体积显著减少,液滴生成频率显著增加,中心线处的液滴压力显著降低。此外,连续相与壁面的接触角增大会导致生成液滴的体积略有增加,同时液滴生成频率降低,中心线处的液滴压力降低。此外,随着界面张力的增加,液滴生成量显著增加,液滴生成频率显著降低,中心线处的液滴压力显著增加。
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引用次数: 0
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Chinese Journal of Analytical Chemistry
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