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Classification of Vietnamese Cashew Nut (Anacardium occidentale L.) Products Using Statistical Algorithms Based on ICP/MS Data: A Study of Food Categorization. 基于ICP/MS数据的统计算法对越南腰果(Anacardium occidentale L.)产品的分类:食品分类研究。
IF 2.6 3区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2023-10-26 eCollection Date: 2023-01-01 DOI: 10.1155/2023/1465773
Trung Nguyen-Quang, Minh Bui-Quang, Thinh Pham-Van, Nhan Le-Van, Khanh Nguyen-Hoang, Duc Nguyen-Minh, Tinh Phung-Thi, Anh Le-Viet, Duc Tran-Ha Minh, Dat Nguyen-Tien, Tuan-Anh Hoang-Le, Minh Truong-Ngoc

Fingerprinting techniques, which utilize the unique chemical and physical properties of food samples, have emerged as a promising approach for food authentication and traceability. Recent studies have demonstrated significant advancements in food authentication through the use of fingerprinting methods, such as multivariate statistical analysis techniques applied to trace elements and isotope ratios. However, further research is required to optimize these methods and ensure their validity and reliability in real-world applications. In this study, the inductively coupled plasma mass spectrometry (ICP-MS) analytical method was employed to determine the content of 21 elements in 300 cashew nut (Anacardium occidentale L.) samples from 5 brands. Multivariate statistical methods, such as principal components analysis (PCA), were employed to analyze the data obtained and establish the provenance of the cashew nuts. While cashew nuts are widely marketed in many countries, no universal method has been utilized to differentiate the origin of these nuts. Our study represents the initial step in identifying the geographical origin of commercial cashew nuts marketed in Vietnam. The analysis showed significant differences in the means of 21 of the 40 analyzed elements among the cashew nut samples from the 5 brands, including 7Li, 11B, 24Mg, 27Al, 44Ca, 48Ti, 51V, 52Cr, 55Mn, 57Fe, 60Ni, 63Cu, 66Zn, 93Nb, 98Mo, 111Cd, 115In, 121Sb, 138Ba, 208Pb, and 209Bi. The PCA analysis indicated that the cashew nut samples can be accurately classified according to their original locations. This research serves as a prerequisite for future studies involving the combination of elemental composition analysis with statistical classification methods for the accurate establishment of cashew nut provenance, which involves the identification of key markers for the original discrimination of cashew nuts.

指纹技术利用了食品样品独特的化学和物理特性,已成为食品认证和可追溯性的一种很有前途的方法。最近的研究表明,通过使用指纹方法,如应用于微量元素和同位素比率的多元统计分析技术,在食品认证方面取得了重大进展。然而,还需要进一步的研究来优化这些方法,并确保它们在现实应用中的有效性和可靠性。本研究采用电感耦合等离子体质谱法(ICP-MS)测定了5个品牌300个腰果样品中21种元素的含量。采用主成分分析(PCA)等多元统计方法对所获得的数据进行分析,并确定腰果的来源。虽然腰果在许多国家广泛销售,但尚未使用通用方法来区分这些坚果的来源。我们的研究代表了确定在越南销售的商业腰果的地理来源的第一步。分析表明,5个品牌的腰果样品中,7Li、11B、24Mg、27Al、44Ca、48Ti、51V、52Cr、55Mn、57Fe、60Ni、63Cu、66Zn、93Nb、98Mo、111Cd、115In、121Sb、138Ba、208Pb和209Bi等40种分析元素的平均值存在显著差异。主成分分析表明,腰果样品可以根据其原始位置进行准确分类。这项研究是未来研究的先决条件,包括将元素组成分析与统计分类方法相结合,以准确确定腰果种源,其中包括识别腰果原始鉴别的关键标记。
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引用次数: 0
Environmental Sample Stability for Pharmaceutical Compound Analysis: Handling and Preservation Recommendations. 用于药物化合物分析的环境样品稳定性:处理和保存建议。
IF 2.6 3区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2023-10-19 eCollection Date: 2023-01-01 DOI: 10.1155/2023/5526429
Nuning Vita Hidayati, Laurence Asia, Stephanie Lebarillier, Ita Widowati, Agus Sabdono, Anne Piram, Rizqi Rizaldi Hidayat, Dina Fitriyah, Indra Putra Almanar, Pierre Doumenq, Agung Dhamar Syakti

Efficient and resilient techniques for handling samples are essential for detecting pharmaceutical compounds in the environment. This study explores a method for preserving water samples during transport before quantitative analysis. The study investigates the stability of 17α-ethynylestradiol (EE2), acetaminophen (ACM), oxytetracycline (OTC), sulfamethoxazole (SMX), and trimethoprim (TMP) after preconcentration within solid-phase extraction (SPE) cartridges. Through various experiments involving different holding times and storage temperatures, it was determined that four pharmaceutical compounds remained stable when stored for a month at 4°C and for six months when stored at -18°C in darkness. Storing these compounds in SPE cartridges at -18°C seemed effective in preserving them for extended periods. In addition, ACM, TMP, OTC, EE2, and SMX remained stable for three days at room temperature. These findings establish guidelines for appropriate storage and handling practices of pharmaceutical compounds preconcentrated from aqueous environmental samples using SPE.

用于处理样品的高效和有弹性的技术对于检测环境中的药物化合物是必不可少的。本研究探索了一种在定量分析之前在运输过程中保存水样的方法。本研究考察了17α-乙炔基雌二醇(EE2)、对乙酰氨基酚(ACM)、土霉素(OTC)、磺胺甲恶唑(SMX)和甲氧苄啶(TMP)在固相萃取(SPE)筒内预浓缩后的稳定性。通过涉及不同保温时间和储存温度的各种实验,确定了四种药物化合物在4°C下储存一个月和在-18°C下黑暗储存六个月时保持稳定。将这些化合物储存在-18°C的SPE筒中似乎可以有效地长期保存。此外,ACM、TMP、OTC、EE2和SMX在室温下保持稳定三天。这些发现为使用SPE从水性环境样品中预浓缩的药物化合物的适当储存和处理实践建立了指南。
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引用次数: 0
Evaluation of Dioxin/Furan and Elements in Poultry from Zarqa Governorate, Jordan. 约旦扎尔卡省家禽中二恶英/呋喃及其元素的评价。
IF 2.6 3区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2023-10-13 eCollection Date: 2023-01-01 DOI: 10.1155/2023/8458678
Mohanad Masad, Samer Alawaideh, Basheer Nusairat, Ali Alnawaiseh, Ahmad Al Shra'ah

This study is the first to determine the concentration for 17 congeners of polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans (PCDD/Fs) and element contamination in poultry that is close to petroleum refinery at Al-Hashemiya Municipality, Zarqa Governorate, Jordan. Ten different samples (chicken) were collected to cover ten different locations of poultry farms in Al-Hashemiya Municipality. These locations are considered polluted areas as a result of exhaust gases produced from the refinery. The 17 PCDD/Fs congeners and elements of Pb, Cd, As, Zn, Cu, Se, Hg, Cr, and Ni were determined for three parts of each sample (liver, muscle, and gizzard). All samples were analyzed for PCDD/Fs after a Soxhlet extraction procedure and cleanup by column chromatography; then, all compounds were identified and determined using GC-MS techniques. The elements were analyzed after digestion and measured using an inductively coupled plasma optical emission spectrometer (ICP-OES) and validated with the Lab Mix24 RM NCS ZC73016 reference material. The highest total sum concentration of PCDD/Fs was found in liver samples to be 214.07 ng/kg (dry weight), while the highest sum of toxicity equivalent to PCDD/Fs of 22.54 ng TEQ/kg was found in gizzard samples. For element concentrations, the highest total sum of 16.89 mg/kg (dry weight) was found in liver samples. The concentration level of the elements of Se, Hg, Cr, and Ni for all parts of the chicken was within an acceptable range according to Jordanian standards and therefore the measured level of heavy and trace elements in the poultry samples (chicken) does not pose a danger to public health. The chickens found in poultry farms near the refinery are more likely to contain a higher concentration of PCDD/Fs congeners due to exhaust gas exposure.

这项研究首次确定了约旦扎尔卡省哈希米亚市炼油厂附近家禽中17种多氯联苯二苯并对二恶英和多氯二苯并呋喃同源物的浓度和元素污染。收集了10个不同的样本(鸡肉),覆盖了Al-Hashemiya市10个不同地点的家禽养殖场。由于炼油厂产生的废气,这些地点被视为污染区。对每个样品的三个部分(肝脏、肌肉和内脏)测定了17种多氯二苯并呋喃的同源物和Pb、Cd、As、Zn、Cu、Se、Hg、Cr和Ni元素。在Soxhlet提取程序和通过柱色谱法净化后,分析所有样品的PCDD/Fs;然后,利用气相色谱-质谱联用技术对所有化合物进行鉴定和测定。消化后对元素进行分析,并使用电感耦合等离子体光学发射光谱仪(ICP-OES)进行测量,并使用Lab Mix24 RM NCS ZC73016参考材料进行验证。在肝脏样本中发现PCDD/Fs的最高总浓度为214.07 纳克/千克(干重),而相当于多氯二苯并呋喃的最高毒性总和为22.54 g TEQ/kg。对于元素浓度,16.89的最高总和 在肝脏样品中发现mg/kg(干重)。根据约旦标准,鸡肉所有部位的Se、Hg、Cr和Ni元素的浓度水平都在可接受的范围内,因此家禽样本(鸡肉)中测得的重元素和微量元素水平不会对公众健康构成威胁。在炼油厂附近的家禽养殖场发现的鸡,由于暴露在废气中,更可能含有更高浓度的多氯二苯并呋喃同系物。
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引用次数: 0
Simultaneous Enantioseparation of Three Chiral Antifungal Pesticides by Hydroxypropyl-γ-CD-Modified Micellar Electrokinetic Chromatography. 羟丙基-γ-CD修饰胶束电动色谱法同时分离三种手性抗真菌农药对映体。
IF 2.3 3区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2023-10-09 eCollection Date: 2023-01-01 DOI: 10.1155/2023/9993526
Xiaoyu Yang

Simultaneous enantioseparation of three commonly used chiral antifungal pesticides (diniconazole, hexaconazole, and imazalil) was first studied based on micellar electrokinetic chromatography (MEKC) with hydroxypropyl-γ-CD (HP-γ-CD) as chiral selector. In this study, the importance of experimental parameters such as chiral selector type and concentration, sodium dodecyl sulfate (SDS) concentration, the ratio of methanol, and separation voltage in optimizing were investigated. The simultaneous enantioseparation of diniconazole, hexaconazole, and imazalil was successfully achieved in 30 mM borate buffer (pH 9.0) containing 10 mM HP-γ-CD and 20 mM SDS with methanol (8%) added as organic modifiers. The resolution of diniconazole, hexaconazole, and imazalil was 15.2, 2.12, and 2.78, respectively, and the peak efficiency (N) was over 566,825 plates/m. This study provides an alternative way to systematically separate chiral antifungal pesticides with high efficiency.

以羟丙基-γ-CD(HP-γ-CD)为手性选择剂,基于胶束电动色谱法(MEKC),首次研究了三种常用手性抗真菌农药(烯唑唑醇、己唑醇和伊玛扎利)的同时对映体分离。在本研究中,研究了手性选择器类型和浓度、十二烷基硫酸钠(SDS)浓度、甲醇比例和分离电压等实验参数在优化中的重要性。在30年内成功实现了伊曲康唑、己康唑和伊玛扎利的同时对映体分离 含有10 mM HP-γ-CD和20 mM SDS,其中加入甲醇(8%)作为有机改性剂。烯唑醇、己唑醇和伊玛扎利的分离度分别为15.2、2.12和2.78,峰值效率(N)超过566825板/m。本研究为系统高效分离手性抗真菌农药提供了一种新的途径。
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引用次数: 0
A Relook into the Flavonoid Chemical Space of Moringa oleifera Lam. Leaves through a Combination of LC-MS and Molecular Networking. 辣木黄酮类化合物化学空间研究。通过LC-MS和分子网络的组合进行叶子。
IF 2.6 3区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2023-09-25 eCollection Date: 2023-01-01 DOI: 10.1155/2023/1327886
Dakalo Lorraine Ndou, Ashwell Rungano Ndhlala, Nikita Tawanda Tavengwa, Ntakadzeni Edwin Madala

Moringa oleifera Lam. is a functional tree that is known to produce a variety of metabolites with purported pharmacological activities. It is frequently called the "miracle tree" due to its utilization in numerous nutraceutical and pharmacological contexts. This study was aimed at studying the chemical space of M. oleifera leaf extracts through molecular networking (MN), a tool that identifies metabolites by classifying them based on their MS-based fragmentation pattern similarities and signals. In this case, a special emphasis was placed on the flavonoid composition. The MN unraveled different molecular families such as flavonoids, carboxylic acids and derivatives, lignin glycosides, fatty acyls, and macrolactams that are found within the plant. In silico annotation tools such as network annotation propagation (NAP) and DEREPLICATOR, an unsupervised substructure identification tool (MS2LDA), and MolNet enhancer were also explored to further compliment the classic molecular networking output within the Global Natural Product Social (GNPS) site. In this study, common flavonoids found within Moringa oleifera were further annotated using MS2LDA. Utilizing computational tools allowed for the discovery of a wide range of structurally diverse flavonoid molecules within M. oleifera leaf extracts. The expansion of the flavonoid chemical repertoire in this plant arises from intricate glycosylation modifications, leading to the creation of structural isomers that manifest as isobaric ions during mass spectrometry (MS) analyses.

辣木。是一种功能树,已知能产生各种声称具有药理活性的代谢物。它经常被称为“奇迹树”,因为它在许多营养和药理学方面都有应用。这项研究旨在通过分子网络(MN)研究橄榄叶提取物的化学空间,MN是一种通过基于MS的碎片模式相似性和信号对代谢物进行分类来识别代谢物的工具。在这种情况下,特别强调黄酮类化合物的组成。MN揭示了植物中发现的不同分子家族,如类黄酮、羧酸及其衍生物、木质素糖苷、脂肪酰基和大分子内酰胺。还探索了计算机注释工具,如网络注释传播(NAP)和DEREPLICATOR,一种无监督的子结构识别工具(MS2LDA)和MolNet增强子,以进一步补充全球自然产品社交(GNPS)网站内的经典分子网络输出。在本研究中,使用MS2LDA对辣木中常见的黄酮类化合物进行了进一步注释。利用计算工具,在橄榄叶提取物中发现了广泛的结构多样的类黄酮分子。这种植物中类黄酮化学库的扩展源于复杂的糖基化修饰,导致在质谱(MS)分析中产生表现为等压离子的结构异构体。
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引用次数: 0
Synthesis of Modified Magnetic Graphene Oxide with Mesoporous Silica for Extraction of the Pharmaceutical Compound Quercetin. 介孔二氧化硅修饰磁性氧化石墨烯的合成用于提取药用化合物槲皮素。
IF 2.2 3区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2023-09-19 eCollection Date: 2023-01-01 DOI: 10.1155/2023/8581986
Delnia Heidari, Soleiman Bahar

In this study, magnetic mesoporous silica-Fe3O4-graphene oxide nanoparticles (Fe3O4@GO@mSiO2) were synthesized and used as sorbents for magnetic solid-phase extraction (MSPE) of trace amounts of quercetin in natural samples (spinach, green pepper, dill, and red onion). The sorbent produced was characterized by Fourier transform infrared (FTIR), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDAX), X-ray diffraction (XRD), vibrating sample magnetometry (VSM), and X-ray photoelectron spectroscopy (XPS). The effects of various experimental factors on the percent recovery of quercetin, including extraction time, desorption time, sample solution pH, and adsorbent amount were investigated. The Fe3O4@GO@mSiO2 strategy showed excellent stability and sensitivity for the determination of quercetin, with a suitable linear range of 20-800 µg L-1 and a detection limit of 5.2 µg L-1. The data indicate that Fe3O4@GO@mSiO2 has a specific surface area and suitable adsorption capacity for the determination of quercetin.

在本研究中,磁性介孔二氧化硅-Fe3O4-氧化石墨烯纳米颗粒(Fe3O4@GO@mSiO2),并用作磁性固相萃取(MSPE)天然样品(菠菜、青椒、dill和红洋葱)中微量槲皮素的吸附剂。通过傅立叶变换红外光谱(FTIR)、扫描电子显微镜(SEM)、能量色散X射线光谱(EDAX)、X射线衍射(XRD)、振动样品磁强计(VSM)和X射线光电子能谱(XPS)对制备的吸附剂进行了表征。考察了提取时间、解吸时间、样品溶液pH和吸附剂用量等实验因素对槲皮素回收率的影响。这个Fe3O4@GO@mSiO2策略对槲皮素的测定具有良好的稳定性和灵敏度,线性范围为20-800 µg L-1,检测限为5.2 µg L-1。数据表明Fe3O4@GO@mSiO2具有比表面积和适合测定槲皮素的吸附容量。
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引用次数: 0
Multicomponent Analysis of Liuwei Dihuang Pills by a Single Marker Quantification Method and Chemometric Discrimination of Fingerprints. 六味地黄丸多组分的单标记定量分析及指纹图谱化学鉴别。
IF 2.6 3区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2023-09-15 eCollection Date: 2023-01-01 DOI: 10.1155/2023/6648668
Lin Yang, Yan Li, Yuanfang Hou, Yongfu Wu, Lihong Tan, Zhenqiang Mu, Zhaojing Zhu, Dan He
An effective and comprehensive quality evaluation method for Liuwei Dihuang pills (LDP) was established by the simultaneous determination of 8 active components in LDP by the quantitative analysis of multicomponents by single marker (QAMS) method and high-performance liquid chromatography (HPLC) fingerprint combined with chemometrics. These 8 active components were determined by QAMS and the external standard method (ESM), and the quantitative results of the two methods were compared to validate the accuracy and feasibility of the QAMS method. 8 active components showed good linear relationships within their ranges, whose average recoveries were 99.7∼102.3%. No significant difference was found (P > 0.05) in the quantitative results determined by QAMS and ESM. Furthermore, the fingerprint of LDP was also established, with 11 common peaks identified, and the similarity of the fingerprints of 21 batches of LDP was greater than 0.95. The 21 batches of LDP were basically divided into 3 groups by hierarchical cluster analysis (HCA) and principal component analysis (PCA), and 3 differential markers were screened out by orthogonal partial least squares discriminant analysis (OPLS-DA). The established QAMS method is accurate, economical, fast, and convenient and can simultaneously determine the content of 8 active components in LDP. HPLC fingerprint combined with chemometric analysis more comprehensively evaluated the quality consistency of different batches of LDP and analyzed the markers that cause quality differences between batches. It can provide a scientific basis and reference of quality consistency evaluation for the manufacturers and drug regulatory departments of the preparation.
采用单标记(QAMS)法和高效液相色谱指纹图谱结合化学计术对六味地黄丸中的8种活性成分进行定量分析,建立了六味地黄片有效、全面的质量评价方法。采用QAMS和外标法(ESM)对这8种活性成分进行了测定,并对两种方法的定量结果进行了比较,验证了QAMS方法的准确性和可行性。8种活性成分在其范围内呈良好的线性关系,平均回收率为99.7~102.3%。此外,还建立了LDP的指纹图谱,共鉴定出11个共有峰,21批LDP指纹图谱的相似度大于0.95。通过层次聚类分析(HCA)和主成分分析(PCA)将21批LDP基本分为3组,并通过正交偏最小二乘判别分析(OPLS-DA)筛选出3个差异标记。所建立的QAMS方法准确、经济、快速、方便,可同时测定LDP中8种活性成分的含量。HPLC指纹图谱结合化学计量分析更全面地评估了不同批次LDP的质量一致性,并分析了导致批次之间质量差异的标志物。可为该制剂的生产企业和药品监督管理部门提供质量一致性评价的科学依据和参考。
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引用次数: 0
Simultaneous and Visual Detection of KPC and NDM Carbapenemase-Encoding Genes Using Asymmetric PCR and Multiplex Lateral Flow Strip. 不对称PCR和多重横向流动条带同时视觉检测KPC和NDM碳青霉烯酶编码基因。
IF 2.2 3区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2023-07-22 eCollection Date: 2023-01-01 DOI: 10.1155/2023/9975620
Wei Lai, Yongjie Xu, Lin Liu, Huijun Cao, Bin Yang, Jie Luo, Ying Fei

Carbapenem-resistant Enterobacteriaceae (CRE) infections constitute a threat to public health, and KPC and NDM are the major carbapenemases of concern. Rapid diagnostic tests are highly desirable in point-of-care (POC) and emergency laboratories with limited resources. Here, we developed a multiplex lateral flow assay based on asymmetric PCR and barcode capture probes for the simultaneous detection of KPC-2 and NDM-1. Biotinylated barcode capture probes corresponding to the KPC-2 and NDM-1 genes were designed and cast onto two different sensing zones of a nitrocellulose membrane after reacting with streptavidin to prepare a multiplex lateral flow strip. Streptavidin-coated gold nanoparticles (SA-AuNPs) were used as signal reporters. In response to the target carbapenemase genes, biotin-labelled ssDNA libraries were produced by asymmetric PCR, which bond to SA-AuNPs via biotin and hybridise with the barcode capture probe via a complementary sequence, thereby bridging SA-AuNPs and the barcode capture probe to form visible red lines on the detection zones. The signal intensities were proportional to the number of resistance genes tested. The strip sensor showed detection limits of 0.03 pM for the KPC-2 and 0.07 pM for NDM-1 genes, respectively, and could accurately distinguish between KPC-2 and NDM-1 genes in CRE strains. For the genotyping of clinical isolates, our strip exhibited excellent consistency with real-time fluorescent quantitative PCR and gene sequencing. Given its simplicity, cost-effectiveness, and rapid analysis accomplished by the naked eye, the multiplex strip is promising auxiliary diagnostic tool for KPC-2 and NDM-1 producers in routine clinical laboratories.

耐碳青霉烯肠杆菌科(CRE)感染对公众健康构成威胁,KPC和NDM是主要的碳青霉烯酶。在资源有限的护理点(POC)和应急实验室中,非常需要快速诊断测试。在这里,我们开发了一种基于非对称PCR和条形码捕获探针的多重横向流动试验,用于同时检测KPC-2和NDM-1。设计了对应于KPC-2和NDM-1基因的生物素化条形码捕获探针,并与链霉亲和素反应后,将其投射到硝化纤维素膜的两个不同的传感区,制备了多重横向流动条带。链霉亲和素包被的金纳米颗粒(SA-AuNPs)作为信号报告者。针对目标碳青霉烯酶基因,采用非对称PCR方法生成生物素标记的ssDNA文库,文库通过生物素与SA-AuNPs结合,并通过互补序列与条形码捕获探针杂交,从而桥接SA-AuNPs和条形码捕获探针,在检测区形成可见的红线。信号强度与检测的抗性基因数量成正比。该传感器对KPC-2和NDM-1基因的检出限分别为0.03 pM和0.07 pM,能够准确区分CRE菌株的KPC-2和NDM-1基因。对于临床分离株的基因分型,我们的条带与实时荧光定量PCR和基因测序具有良好的一致性。鉴于其简单、成本效益和肉眼快速分析,多重试纸条是常规临床实验室中KPC-2和NDM-1生产者的有希望的辅助诊断工具。
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引用次数: 0
Simultaneous Separation and Determination of Nine Active Ingredients in Sanyetangzhiqing by Cyclodextrin-Modified Micellar Electrokinetic Capillary Electrophoresis-Diode Array Detector. 环糊精修饰的胶束电动毛细管电泳-二极管阵列检测器同时分离和测定三叶青中的九种有效成分
IF 2.3 3区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2023-07-12 eCollection Date: 2023-01-01 DOI: 10.1155/2023/4840457
Shanshan Wang, Rui Zhou, Kunze Du, Ye Shang, Jun He, Jin Li, Yaqi Yao, Yan-Xu Chang

A simple and sensitive strategy using cyclodextrin-modified micellar electrokinetic chromatography with diode array detector was developed and applied for the simultaneous separation and determination of nine components in Sanyetangzhiqing (SYTZQ), a hypoglycemic and hypolipidemic agent. Several important parameters affecting separation performance were evaluated and optimized using single variable methods. Under the optimal conditions, baseline separation of the nine components, including four flavonoids (hyperoside, isoquercitrin, quercetin-3-O-glucuronoside, and astragalin), four phenolic acids (chlorogenic acid, rosmarinic acid, salvianolic acid B, and lithospermic acid), and a monoterpenoids (paeoniflorin), were achieved in less than 16 min. The correlation coefficients of the calibration curves were over 0.9996 for all the analytes. Intraday and interday precisions ranged from 0.4% to 4.8% and 1.7% to 5.0%, respectively. Recoveries of analytes varied from 95.3% to 105%. Validation results as well as the application to analyse SYTZQ samples demonstrated the applicability of the proposed method and thus provided an effective tool for the quality control of SYTZQ. Moreover, with the advantages of short time consuming, low energy consumption, high efficiency, and low cost, this method has laid a foundation for the determination and quality evaluation of multicomponents in Chinese herbal compounds.

采用环糊精修饰胶束电动色谱-二极管阵列检测器,开发了一种简单灵敏的策略,用于同时分离和测定降血糖和降血脂药三叶青(SYTZQ)中的九种成分。采用单变量方法对影响分离性能的几个重要参数进行了评估和优化。在最佳条件下,9种成分(包括4种黄酮类化合物(金丝桃苷、异槲皮苷、槲皮素-3-O-葡萄糖醛酸苷和黄芪苷)、4种酚酸类化合物(绿原酸、迷迭香酸、丹参酚酸B和石杉碱)和1种单萜类化合物(芍药苷))的基线分离时间小于16分钟。所有分析物的校准曲线相关系数均超过 0.9996。日内和日间精确度分别为 0.4% 至 4.8% 和 1.7% 至 5.0%。分析物的回收率从 95.3% 到 105% 不等。验证结果和 SYTZQ 样品的分析应用证明了该方法的适用性,从而为 SYTZQ 的质量控制提供了有效工具。该方法具有耗时短、能耗低、效率高、成本低等优点,为中药复方中多成分的测定和质量评价奠定了基础。
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引用次数: 0
Study on the Fingerprint Spectrum and the Spectrum-Effect Relationship of Analgesic and Anti-Inflammatory Effects of the Aqueous Extract from Dalbergia hancai Benth. 汉防己(Dalbergia hancai Benth.)水提取物镇痛和抗炎作用的指纹图谱及谱效关系研究
IF 2.3 3区 化学 Q3 CHEMISTRY, ANALYTICAL Pub Date : 2023-06-23 eCollection Date: 2023-01-01 DOI: 10.1155/2023/1242756
Qin Qiu, Xiaofang Liu, Chunying Huang, Yanling Guo, Dandan Zhen, Junhao Shi, Baojun Gu, Hanshen Zhen, Miao Zhang

Dalbergia hancai Benth. (D. hancai) is one of the most frequently utilized traditional Chinese medicine in Zhuang medicine. Simultaneously, it has been included in the "Quality Standard of Zhuang medicine in Guangxi Zhuang Autonomous Region (Vol. 2)" and possessed outstanding pharmacological effects. However, the pharmacodynamic material basis of D. hancai still remains unclear. In this study, the high-performance liquid chromatography (HPLC) method had been employed to establish the fingerprint of 10 batches of aqueous extract of D. hancai originated from different parts of China. At the same time, similarity evaluation, cluster analysis, and principal component analysis (PCA) had also been conducted to evaluate the common peaks. The acetic acid-induced writhing in mice had been employed as an analgesic model, and the carrageenan-induced toe swelling in mice was utilized as an anti-inflammatory model for pharmacodynamic experiments. The gray relational analysis (GRA) and partial least squares regression (PLSR) were applied to correlate the fingerprint and pharmacodynamic data to thoroughly examine its spectrum-effect relationship, whereby its analgesic and anti-inflammatory material basis had been comprehensively explored. The results revealed that the HPLC fingerprint of the aqueous extract of D. hancai had successfully identified 12 common peaks whereby two of which were further identified as protocatechuic acid and vitexin. Subsequently, through the analysis of GRA and PLSR, the chromatographic peaks that possess a critical correlation degree with the analgesic and anti-inflammatory effects of D. hancai had also been successfully discovered. Ultimately, the analgesic and anti-inflammatory effects of the 10 batches of D. hancai aqueous extract had been conclusively proved, and it was evidently indicated that these effects were attributable to the synergistic interactions between various components. Therefore, this study aims to serve as an effective analytical method for screening and predicting the effective substances of traditional Chinese medicine on the basis of the spectrum-effect relationship.

汉防己(Dalbergia hancai Benth.(汉防己(Dalbergia hancai Benth)是壮医药中最常用的中药之一。同时,它还被列入《广西壮族自治区壮医药质量标准(第二册)》,具有突出的药理作用。然而,汉防己的药效物质基础仍不清楚。本研究采用高效液相色谱法(HPLC)对产自全国各地的10批次汉防己水提取物进行了指纹图谱分析。同时,对共性峰进行了相似性评价、聚类分析和主成分分析。在药效学实验中,以醋酸诱导的小鼠蠕动为镇痛模型,以卡拉胶诱导的小鼠足趾肿胀为抗炎模型。应用灰色关系分析法(GRA)和偏最小二乘回归法(PLSR)对指纹图谱和药效学数据进行了关联分析,深入研究了其谱效关系,从而全面探讨了其镇痛和抗炎的物质基础。结果表明,汉防己水提取物的高效液相色谱指纹图谱成功地鉴定出12个常见峰,其中两个峰被进一步鉴定为原儿茶酸和荆芥苷。随后,通过 GRA 和 PLSR 分析,还成功地发现了与汉防己镇痛和抗炎作用具有临界相关度的色谱峰。最终,10 个批次的汉防己水提取物的镇痛和抗炎作用得到了确证,并明确指出这些作用是由于各成分之间的协同作用所产生的。因此,本研究旨在为基于谱效关系筛选和预测中药有效物质提供一种有效的分析方法。
{"title":"Study on the Fingerprint Spectrum and the Spectrum-Effect Relationship of Analgesic and Anti-Inflammatory Effects of the Aqueous Extract from <i>Dalbergia hancai</i> Benth.","authors":"Qin Qiu, Xiaofang Liu, Chunying Huang, Yanling Guo, Dandan Zhen, Junhao Shi, Baojun Gu, Hanshen Zhen, Miao Zhang","doi":"10.1155/2023/1242756","DOIUrl":"10.1155/2023/1242756","url":null,"abstract":"<p><p><i>Dalbergia hancai</i> Benth. (<i>D. hancai</i>) is one of the most frequently utilized traditional Chinese medicine in Zhuang medicine. Simultaneously, it has been included in the \"Quality Standard of Zhuang medicine in Guangxi Zhuang Autonomous Region (Vol. 2)\" and possessed outstanding pharmacological effects. However, the pharmacodynamic material basis of <i>D. hancai</i> still remains unclear. In this study, the high-performance liquid chromatography (HPLC) method had been employed to establish the fingerprint of 10 batches of aqueous extract of <i>D. hancai</i> originated from different parts of China. At the same time, similarity evaluation, cluster analysis, and principal component analysis (PCA) had also been conducted to evaluate the common peaks. The acetic acid-induced writhing in mice had been employed as an analgesic model, and the carrageenan-induced toe swelling in mice was utilized as an anti-inflammatory model for pharmacodynamic experiments. The gray relational analysis (GRA) and partial least squares regression (PLSR) were applied to correlate the fingerprint and pharmacodynamic data to thoroughly examine its spectrum-effect relationship, whereby its analgesic and anti-inflammatory material basis had been comprehensively explored. The results revealed that the HPLC fingerprint of the aqueous extract of <i>D. hancai</i> had successfully identified 12 common peaks whereby two of which were further identified as protocatechuic acid and vitexin. Subsequently, through the analysis of GRA and PLSR, the chromatographic peaks that possess a critical correlation degree with the analgesic and anti-inflammatory effects of <i>D. hancai</i> had also been successfully discovered. Ultimately, the analgesic and anti-inflammatory effects of the 10 batches of <i>D. hancai</i> aqueous extract had been conclusively proved, and it was evidently indicated that these effects were attributable to the synergistic interactions between various components. Therefore, this study aims to serve as an effective analytical method for screening and predicting the effective substances of traditional Chinese medicine on the basis of the spectrum-effect relationship.</p>","PeriodicalId":14974,"journal":{"name":"Journal of Analytical Methods in Chemistry","volume":"2023 ","pages":"1242756"},"PeriodicalIF":2.3,"publicationDate":"2023-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10313466/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9747053","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
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Journal of Analytical Methods in Chemistry
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