青藏高原3种秦艽组植物微量元素比较分析

利用全谱直读等离子体发射光谱法(ICP-AES)测定了3种秦艽组植物10种微量元素(Cu,Zn,Fe,Mn,Ni,Co,Sn,V,Al,Ti)的含量,并进行了比较分析。结果表明,所测定元素在3个不同物种内的含量排列顺序基本一致,显示了三者在元素富集方面的相似性。就同一种元素在3个物种内的富集水平而言,以麻花艽根部具有较高含量的元素Cu,Zn,Co,Al和Ti,管花秦艽根部则大量富集了其余5种微量元素,达乌里秦艽对元素的吸收积累能力居中,揭示了不同物种对同一元素富集能力的差异。该研究可为秦艽类植物资源的深入开发利用提供参考。     

藏药达乌里秦艽中环烯醚萜苷的HPLC测定

采用HPLc法同时测定了藏药达乌里秦艽中龙胆苦苷(gentiopicroside)、獐牙菜苦苷(swertiamarin)、獐牙菜苷(sweroside)和落干酸(loganic acid)4种主要环烯醚萜苷类成分,利用在线质谱(MS)进行了定性分析,并与同属藏药麻花艽进行了比较.色谱柱为Eclipse XDB-C8(4.6 mm×150 mm i.d.,5 μm),流动相A:体积分数5%乙腈(含10 mmol甲酸)水溶液,流动相B:体积分数95%乙腈水溶液,以流动相A在0～15 min内由100%线性减至90%,15～20 min内保持90%不变线性梯度洗脱.流速1.0 mL/min,检测波长240 nm,柱温30℃.结果表明,4种成分均达到了基线分离,具有较好的线性关系和回收率.本法可作为达乌里秦艽药材有效成分的测定方法,为其有效成分的进一步开发利用提供依据.     

基于37种无机元素含量的主成分分析和层次聚类分析溯源当归产地北大核心CSCD

采用电感耦合等离子体质谱法测定采自甘肃、青海、四川和云南共计26批次的当归样品中37种无机元素的含量,并考察了重金属及有害元素的安全情况.以37种无机元素的实测值为变量,应用主成分分析确定当归中差异性特征元素;再以特征元素为变量进行层次聚类分析,探讨当归中主要无机元素的含量与其产地的关系.结果表明,当归药材中37种无机元素检出32种,各元素含量差异较大,重金属及有害元素Hg、Cu、Cd、As含量与其他植物相比处于较低水平.不同产区的当归表现出一定的聚类性特征,甘肃与青海当归中无机元素也存在差异,Sm、Nd、Cu、Cr、Cd、Rb和Sr等7种无机元素为其主要指标性成分,可对当归进行有效产地溯源.     

基于石油烃特征比值的多元统计方法进行原油鉴别

基于原油中有生源意义的生物标志物及原油特征多环芳烃的特征比值,采用主成分分析和聚类分析法,对渤海3个不同区块的4种原油,以及其中1种原油风化7d、15d和30d的风化油样和陆地油田1和陆地油田2各1种原油进行鉴别。结果显示:利用主成分分析和聚类分析可以实现大量油样的快速分类鉴别,不仅可以对差异较大的原油进行区分,还可以对原始原油及其风化原油进行很好分辨,但对差异较小的原油,两种分析方法的分辨能力仍有一定局限性。     

基于无机元素特征的不同产地鳖甲药材质量分析

为研究中药鳌甲中元素的分布规律及其与药材产地之间的关系,探讨鳌甲中无机元素的特征,采用电感耦合等离子体质谱法(ICP-MS)测定了10批鳖甲样本中10种无机元素含量,根据元素含量的高低分布状态建立了鳌甲药材相关的无机元素指纹图谱,运用"总体特征分布分析-主成分与系统聚类分析结合-因子分析"的三级分析方法,对选取的特征元...     

前列舒通胶囊中26种无机元素的分析

目的：明确造成前列舒通胶囊不同批次间差异的标志性无机元素,并进行安全性评价。方法：采用ICP-MS测定制剂中Al、As、B、Ba、Ca、Cd、Co、Cr、Cu、Fe、K、Mg、Mn、Mo、Na、Ni、Pb、Sb、Se、Sn、Sr、Ti、Tl、V、Zn和Hg元素含量并进行数据分析。运用主成分及综合评分结合聚类分析手段,确定制剂的特征性元素;进行元素含量和相关性分析,明确不同批次各元素的差异及元素之间的关系;以多元素含量为指标,绘制无机元素谱图。结果：19批样品中均未检测出Se、Mo、Sn、Sb、Tl和Hg,且Pb、Cd、As、Cu、Hg均符合限量标准,无机元素含量谱图趋势一致。主成分分析提取了4个主成分,确定元素B、K、Al、V、Cr、Ca、Ti、Na、Co和Mn可作为特征元素。主成分得分图将19批样品分为两类,聚类分析及综合评分结果与其一致,两类样品中各元素含量存在差异性。相关性分析中,明确了B与K、Al、Cr正相关,K与Cr、Co正相关,V与Cr、Mn正相关,Mn与Co正相关,Ca、Ti、Na两两正相关。结论：通过分析前列舒通胶囊中无机元素含量,确定了特征元素,为前列舒通胶囊质量全面控制研究提供科学依据。     

基于氨基酸成分分析与化学计量学的当归品质评价北大核心CSCD

采用全自动氨基酸分析仪测定30批不同产地当归药材中16种氨基酸的含量,结合主成分分析、聚类分析及判别分析评价当归中氨基酸含量的差异及其品质优劣。称取粉碎过筛后的样品1 g,加入0.1 mol·L^(-1)盐酸溶液30 mL,超声,冷却至室温后,用水定容至100 mL;分取1 mL,于50℃真空浓缩至近干,然后加入10 mL样品稀释液(pH 2.20),涡旋溶解,过0.22μm水系滤膜,按照仪器工作条件测定其中天冬氨酸(Asp)、苏氨酸(Thr)、丝氨酸(Ser)、谷氨酸(Glu)、甘氨酸(Gly)、丙氨酸(Ala)、缬氨酸(Val)、甲硫氨酸(Met)、异亮氨酸(Ile)、亮氨酸(Leu)、酪氨酸(Tyr)、苯丙氨酸(Phe)、赖氨酸(Lys)、组氨酸(His)、精氨酸(Arg)、脯氨酸(Pro)的含量。结果表明:16种氨基酸标准曲线的线性范围均为1~200μmol·L^(-1),检出限(3S/N)为0.02~0.04 mg·L^(-1),加标回收率为90.4%~98.2%,测定值的相对标准偏差(n=6)为1.3%~4.1%;30批当归样品中16种氨基酸总量为4.86%~10.70%,必需氨基酸总量为0.37%~2.71%,差异氨基酸为Gly和Met;采用主成分分析对16种氨基酸含量降维,共提取了5个主成分,累积方差贡献率为80.895%,30批当归样品的综合得分为-2.44~2.42,综合得分最高的是样品13^(#),最低的是样品29^(#);在此基础上分别进行了聚类分析和判别分析,聚类分析将30批当归样品聚为3类,样品28^(#)(云南)为一类,样品29^(#)(陕西)为一类,其余样品(四川、甘肃与青海)聚为一类,利用判别分析建立的典则判别函数模型对30个样品进行回判验证,正确判别率为100%。     

Trace Elemental Analysis of Allium Species by Inductively Coupled Plasma-Mass Spectrometry (ICP-MS) with Multivariate Chemometrics

Aerial parts and roots of the 12 Allium species collected from five localities of Turkey were studied for trace elements (Ag, As, Cd, Co, Cr, Cu, Ni, Pb, Se, Tl, V, and Zn) using inductively coupled plasma mass spectrometry (ICP-MS). A tomato leaves certified reference material was used to characterize the accuracy and precision of the analysis. Each Allium species contained Se (315–2740?µg/kg), Tl (2.75–71?µg/kg), V (77–6790?µg/kg), and Zn (3.73–26.6?mg/kg) which can meet the necessary daily intake of these minerals. In addition, chemometric analyses were performed using correlation analysis, principal component analysis, and hierarchical cluster analysis to determine the association of 12 trace elements in the Allium species. Using chemometrics, the distribution of elements between aerial parts and roots, and geographic collection localities of Allium species were also examined. This study is important the consumers because of the wide consumption of Allium species. This report is the first detailed characterization of the metal content of Allium species.     

Application of Phytochemical and Elemental Profiling,Chemometric Multivariate Analyses,and Biological Activities for Characterization and Discrimination of Fruits of Four Garcinia Species

Abstract

Species of Garcinia (Guttiferae) are used for flavoring curries, as a supplement, and to treat various diseases. This study describes the comparison and discrimination of Garcinia cambogia, Garcinia indica, Garcinia mangostana and Garcinia atroviridis fruits by analyzing their major phytochemicals, elemental content, antioxidant, antidiabetic, and anticholinesterase enzymes activities. For phytochemical and elemental profiling, ultraviolet (UV), near infrared/infrared (NIR/IR), inductively coupled plasma-optical emission spectroscopy (ICP-OES) and ICP-mass spectrometric (ICP-MS) techniques were used. The chemometric multivariate tests of linear discriminant and principal component analyses (LDA, PCA) were used to discriminate the subject fruit samples. Spectroscopic data showed resonances of phenolics and flavonoidal constituents present in the fruits. G. mangostana exhibited the highest phenolics (721.6 to 2815.3?µM GAE/g), whereas G. cambogia was rich in flavonoids (51.9 to 2709.2?µM QE/g). Anthocyanin (cyanidin-3-O-glucoside) evaluated by high performance liquid chromatographic was 9.01?mg/kg in G. mangostana fruit. In the analyzed fruits, Ca, K and Na were high, trace essential elements were at appreciable contents, whereas the toxic elements As, Cd, Tl, and Pb were within the safe limits. G. mangostana contained potent free radicals and cholinesterase enzyme inhibitors, whereas G. cambogia inhibited α-amylase enzyme more significantly. PCA and LDA discriminated the fruit samples with distinct classification and variability indices. The analyzed fruits were shown to be good sources of free radicals, cholinesterase, and α-amylase enzymes inhibition, mineral and essential elements, and safe for human consumption.     

Simultaneous determination of six index constituents and comparative analysis of four ethnomedicines from genus Gentiana using a UPLC‐UV‐MS method

Many species from genus Gentiana (Gentianaceae) have a long history of applications as folk medicines in the world. A simple rapid UPLC‐UV‐MS/MS method has been developed and validated for the simultaneous determination of six index constituents (gentiopicroside, swertiamarin, loganic acid, sweroside, mangiferin and ferulic acid) from the four ethnomedicines (G. rigescens Franch. ex Hemsl., G. rhodantha Franch. ex Hemsl., G. scabra Bunge and G. farreri Balf. f.). The UPLC analysis was performed on Shim‐Pack XR‐ODS III (150 × 2.0 mm, 2.2 µm). The mobile phase was consisted of acetonitrile–0.1% formic acid water using gradient elution. The wavelength 242 nm was chose for the four iridoids as well as mangiferin and 320 nm was set for ferulic acid. Mass spectrometry was applied for identification and quantification for analytes with low concentration. All the regression equations revealed a good linear relationship (R² > 0.9993). Accuracy and precision were all within the required limits. The chromatogram fingerprints analysis combined with principal component analysis showed the similarity values of the four species were <0.788 while the similarity values of G. scabra Bunge and G. rigescens Franch. ex Hemsl. were >0.993, which provided reasonable foundation for utilization and clinical application of the four ethnomedicines. This developed method appears to be a useful tool for quality control of the four ethnomedicines. Copyright © 2014 John Wiley & Sons, Ltd.     

Characterization of the Traditional Chinese Medicine Yuhuanglian by HPLC-ESI-MS

As increasing numbers of people worldwide are using traditional Chinese medicines, their characterization has become increasingly critical. This study describes the development of a facile and reproducible high-performance liquid chromatography-based method to obtain the fingerprint of the traditional Chinese medicine Yuhuanglian. First, similarity analysis and Principal Component Analysis (PCA) were investigated to interpret differences in the chromatograms of samples from different groups. Seven fingerprint peaks were identified by electrospray ionization tandem mass spectrometry (ESI-MS/MS), including magnolforine, coptisine, berberin, epiberberin, dehydroevodiamine, 12α-hydroxylimonin, and 12α-hydroxyevodol. The established fingerprint method was then applied to the analysis of Evodiae Fructus, Coptis Rhizoma, Yuhuanglian, and analogs of Yuhuanglian, which reflected their chemical constituent properties. The proposed method provides a technical platform for the characterization of Yuhuanglian, which will ensure the safe and effective use of this traditional Chinese medicine.     

降脂中药微量元素的主成分分析和聚类分析

探讨降脂中药中微量元素的种类和含量与其药用价值的相关性。以常用的10种降脂中药作为研究对象,采用原子吸收光谱法(AAS)对其所含微量元素进行测定,运用化学计量学方法中的主成分分析和聚类分析方法进行信息解析。主成分分析结果表明,前4个主因子含有降脂类中药微量元素含量88.96%的信息。根据主成分得分图和聚类分析谱图,可将10种中药分为两类。找出了与每类中药相关性密切的微量元素,解释了10种中药之间的相似性与差异。通过主成分分析和聚类分析初步揭示出10种降脂中药的微量元素与其功效存在相关性,为该类中药的开发提供了科学依据和理论基础。     

化学模式识别技术评价中药厚朴质量的研究

本文对不同产地和市售的二十四种厚朴药材及饮片的萃取液进行了高效液相色谱、气相色谱及紫外光谱分析;对所得数据用主成分分析进行分类,概括出不同样品化学成分的异同,认为大叶木兰可做为厚朴的代用品,而在陕西安康购得的样品不应做厚朴使用,后者经生药学鉴定为厚朴伪品凹叶木兰。化学模式识别技术可为寻找药材的代用品、评价中药质量及鉴定伪劣药材提供依据。     

五种抗HIV活性中草药微量元素的主成分分析

对产自云南的5种抗HIV活性中草药:臭灵丹、紫茎泽兰、辣子草、滇石栎、密蒙花进行了微量元素测定和主成分分析.结果显示,微量元素分为3个主分量,综合评价第一位的是臭灵丹.     

Classification of Chinese Herbal Medicine by Laser-Induced Breakdown Spectroscopy with Principal Component Analysis and Artificial Neural Network

Chinese herbal medicine has attracted increasing attention because of the unique and significant efficacy in various diseases. In this paper, three types of Chinese herbal medicine, the roots of Angelica pubescens, Codonopsis pilosula, and Ligusticum wallichii with different places of origin or parts, are analyzed and identified using laser-induced breakdown spectroscopy (LIBS) combined with principal component analysis (PCA) and artificial neural network (ANN). The study of the roots of A. pubescens was performed. The score matrix is obtained by principal component analysis, and the backpropagation artificial neural network (BP-ANN) model is established to identify the origin of the medicine based on LIBS spectroscopy of the roots of A. pubescens with three places of origin. The results show that the average classification accuracy is 99.89%, which exhibits better prediction of classification than linear discriminant analysis or support vector machine learning methods. To verify the effectiveness of PCA combined with the BP-ANN model, this method is used to identify the origin of C. pilosula. Meanwhile, the root and stem of L. wallichii are analyzed by the same method to distinguish the medicinal materials accurately. The recognition rate of C. pilosula is 95.83%, and that of L. wallichii is 99.85%. The results present that LIBS combined with PCA and BP-ANN is a useful tool for identification of Chinese herbal medicine and is expected to achieve automatic real-time, fast, and powerful measurements.     

Fingerprint profiles of flavonoid compounds from different Psidium guajava leaves and their antioxidant activities

Flavonoids are the main active components in Psidium guajava leaves and have many multi‐physiological functions. In this study, the flavonoid compositions were identified in the Psidium guajava leaves samples using a high‐performance liquid chromatography with time‐of‐flight electrospray ionization mass spectrometry method. A high‐performance liquid chromatography fingerprint method, combined with chemometrics, was used to perform a quality assessment of the Psidium guajava leaves samples. The eight identified flavonoid compounds including rutin, isoquercitrin, quercetin‐3‐O‐β‐d ‐xylopyranoside, quercetin‐3‐O‐α‐l ‐arabinopyranoside, avicularin, quercitrin, quercetin, and kaempferol were used as the chemical markers. The antioxidant activity of 15 batches of samples was examined using three different methods, and the results revealed the Psidium guajava leaves samples that had higher contents of the flavonoid compounds, glycoside and aglycone, possessed the highest antioxidant capacities. Consequently, a combination of chromatographic fingerprints and chemometric analyses was used for a quality assessment of Psidium guajava leaf tea and its derived products, which can lay the foundation for the development of plant tea resources or other herbs.