中国的中药微量元素研究Ⅱ.微量元素:中药有效药成分的核心组分

在中国开展的中药微量元素研究证明,中药有效药成分由有机药成分和无机药成分组成,两者共生共存。从含水络合离子、天然有机金属配合物、中药有机药成分-微量元素配合物,以及中药有机药成分-微量元素复合物四个方面,论述了微量元素在中药有效药成分中的核心地位和核心作用。     

现代中药分析新进展

近年来中药分析领域取得了非常大的进展,主要特点有:中药分析的对象更集中于针对中医药现代化研究中的关键科学问题,提出切合实际的系统的解决方案;中药分析不再局限于提供化学分析的工具,而是将各种新方法、新技术整合使之成为解决关键科学问题的新体系;中药分析已经不再局限于分析中药的物质组成,更注重解决的是物质的组成及其功能的相关性.本文从中药信息表达模式的改变、成分研究策略的改变、分析对象的改变和药物效应分析模式的改变等四个方面对中药现代分析的进展和发展趋势进行了综述和讨论.     

中药微量元素的主成分分析

基于主成分分析的方法,研究了中药的相似性。主成分综合得分越近,中药就越相似。     

基于中药活性成分的金属基抗肿瘤药物前期研究*

本文综述了近年来中药活性成分的金属基抗肿瘤药物前期研究概况。介绍了中药活性成分生物碱、黄酮、醌类化合物以及斑蝥素、香豆素、白花丹素等金属配合物合成、结构和抗肿瘤活性、与DNA作用的研究进展,对基于中药活性成分金属基抗肿瘤药物研究进行展望。     

色谱和波谱自动连接技术“破解”中药化学成分密码等

中药及天然药物化学成分与生物活性的研究是阐明中药治疗疾病的科学内涵及实现中药现代化的前提和基础。而天然药物中活性成分分离是研究中的一大难关,工作量大、针对性差、重复率高等问题,使得活性成分分离效率难以提高。     

中药活性成分研究是中药现代化的重要组成部分

中药现代化是一个逐步发展、不断完善和充实的长期的系统工程。中医药在我国民族生存和繁衍的几千年历程中起着至关重要的作用,具有自己的特色和优势,是中华民族的宝贵财富,既要继承,又要创新和发展。中药现代化可以有多种模式,只要有利于人民健康,有利于传承和发展中医药,不管采取何种模式均应得到鼓励和欢迎。中药的活性成分研究是中药现代化的重要组成部分：一方面,一些活性成分能直接或作为先导化合物间接发展成药物;另一方面,活性成分又为中药复方现代化提供物质基础。这体现在活性成分既在现代化中药的制造和生产中起到标准化作用,同时活性成分也是中药复方专利最重要的核心组成部分。     

中药质谱分析方法及应用研究

分别从中药成分分析、活性筛选和代谢组学三方面对质谱技术在中药研究中的应用进展进行了全面综述.在中药成分分析方面,重点介绍了寡糖异构体的分析方法,以及质谱指纹图谱技术在中药成分分析及质量控制中的应用;在活性筛选方面,分别介绍了超滤-质谱、细胞膜色谱-质谱、微透析-质谱、亲和色谱-质谱、强度衰减质谱、修饰琼脂糖珠-质谱和直接分析质谱等技术及其应用;在代谢组学研究方面,对中药治疗肝损伤、肾虚、心肌梗死和糖尿病等疾病方面的研究进展进行了阐述.上述内容充分反映了质谱技术在中药创新性研究中的重要性.     

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。     

中药的毛细管电泳指纹图谱研究

中药是我国医药中的瑰宝,是中国入世后最有竞争力的品种之一。虽然建国以来,对中药的内在质量标准的研究受到高度重视,但不少中药的鉴定方法仍处于避难就易、不足以真实反映其内在质量的状态。缺乏能真实反映中药内在质量的质量标准,成了中药现代化与出口的瓶颈。中药成分非常复杂,虽然用现代分析手段,可以搞清其某些成分,但由于中药的药效往往是多组分的协同作用,少数成分不足以表征中药的总体药效,因而出现了用指纹图谱总体评价中药质量的方法[1]。指纹图谱是当前中药质量研究的热门课题。　　指纹图谱是指某(或某产地)中药材或中成药…     

Situation of Elements Etiology and Breakthroughs of Traditional Chinese Medicine in China

综述了我国地方病元素病因学及临床疾病元素病因学研究取得的成果,包括:我国地方病元素病因和临床疾病元素病因研究,艾滋病防治的研究,并展望了中药微量元素研究的未来,元素平衡食疗治疗艾滋病的研究,中药元素成分和方剂微量元素成分的研究,有望取得更大的突破性进展.     

微量元素研究对中药研究和应用的指导作用

通过对微量元素与中药材的栽培，中药的炮制加工，中成药的工艺研究及中药的合理应用之间相关性的综述，阐明了微量元素研究对中药研究和应用的指导意义，同时也给研究人员对微量元素的研究提出了新课题。     

Understanding the traditional aspect of Chinese medicine in order to achieve meaningful quality control of Chinese materia medica

Although sophisticated and technologically advanced, current quality control methods for Chinese medicines (syn. Chinese materia medica or CMM) lack comprehensiveness and practicability. They are more suited for analyzing single-chemical drugs or specific, known chemical components that have already been isolated. While these methods can fully satisfy the modern scientific requirements for identity, purity and quality in the assessment of chemical drugs, they are not suitable for handling the complex chemical nature of traditional CMM whose multifunctional components along with their inherent holistic activities are frequently unknown and thus are not adequately analyzed by these methods. In order to assess properly and meaningfully the identity and quality of complex CMM (also known as Chinese herbs and Chinese herbal medicines), additional measures that can retain the traditional aspect of CMM need to be included. This requires a basic understanding of traditional Chinese medicine (TCM).     

超高效液相色谱-质谱法同时测定舒血宁注射剂中20种黄酮醇苷与萜类内酯成分

建立了舒血宁注射剂中16种黄酮及4种萜类内酯同时定量的超高效液相色谱-质谱分析方法,并采用所建立的方法同时测定了不同厂家舒血宁注射剂产品中上述20种化合物的含量。注射剂样品经甲醇-水(体积比1∶1)稀释后,在Acquity UPLC BEH Shield RP18(2.1 mm×100 mm,1.7μm)色谱柱上分析,以0.1%(体积分数)甲酸水溶液-乙腈为流动相进行梯度洗脱,以电喷雾离子源负离子多反应监测(MRM)模式进行质谱监测。结果表明:20种化合物可在10 min内完成色谱分离分析,检出限和定量下限分别为0.02~1.59 ng/mL和0.07~5.30 ng/mL,16种黄酮及4种萜类内酯在各自的线性范围内线性关系良好,在低、中、高3个加标水平下的回收率为85.9%~109%。该方法前处理简单、快速高效、准确性高,为舒血宁注射剂的质量控制提供了参考。     

Establishment of GC-MS fingerprint of fresh Houttuynia cordata

Fresh Houttuynia cordata THUNB. is a Chinese materia medica generally used in Chinese medicine therapy. It possesses the actions of clearing heat, eliminating toxins, reducing swelling, discharging pus and relieving stagnation. However, dry H. cordata has traditionally been used in clinical application instead of the fresh counterpart. In this paper, the chemical profiles of H. cordata were established using fingerprinting techniques. A modified GC-MS method was developed in the comparison of fingerprints among fresh and dry herbs of H. cordata. It was shown that the varieties, as well as relative levels of chemical components, in the fresh herb were more abundant than in the dry counterpart. Fingerprinting profiles were found to be consistent for fresh herbs acquired from various production areas, but the relative abundance of peaks were varied. Besides, the chemical components among different medicinal portions of fresh herbs were found to be inconsistent. The developed fingerprint can be successfully applied to distinguish between fresh and dry herbs, as well as determining differentiation among different medicinal portions.     

基于人工智能-多元多息指纹图谱探索中药一法通识品种鉴定新方法

该文建立了一种基于中药多元多息指纹图谱联合人工智能识别的中药一法通识品种鉴定新方法,方法先通过对同一味药材采用不同处理手段得到具有不同性质的化学成分信息,并构建一种集反相色谱法、亲水色谱法以及分子排阻色谱法为一体的具有普适性的多元多息指纹图谱采集方式,实现了药材中小极性小分子、大极性小分子及大分子类化合物的全面表征,再...     

A pseudotargeted method based on sequential window acquisition of all theoretical spectra mass spectrometry acquisition and its application in quality assessment of traditional Chinese medicine preparation-Yuanhu Zhitong tablet

Quality control plays a key role in the application of Chinese materia medica, especially in the preparation of traditional Chinese medicine. A pseudotargeted analysis method using an ultra-high-performance liquid chromatography-quadrupole-time-of-flight-mass spectrometry that was operated in the sequential window acquisition of all theoretical spectra mode was proposed to explore the chemical markers of traditional Chinese medicine preparation. Full-scan-based untargeted analysis was applied to extract the target ions. After data preprocessing, 302 target ions were extracted and used for the subsequent sequential window acquisition of all theoretical spectra analyses. The established sequential window acquisition of all theoretical spectra-based pseudotargeted approaches exhibited good repeatability and a wide linear range. The established method was successfully applied to discover analytical markers for the Yuanhu Zhitong tablet. After multivariate statistical analysis, 94 potential markers were identified. Ten markers were annotated by matching accurate m/z and product ion information obtained from previous reports. It is clearly indicated that the pseudotargeted analysis could make a great contribution to the quality assessment of traditional Chinese medicine preparation as a newly emerging technique.     

Characterization of the chemical constituents in Da‐Huang‐Gan‐Cao‐Tang by liquid chromatography coupled with quadrupole time‐of‐flight tandem mass spectrometry and liquid chromatography coupled with ion trap mass spectrometry

In this work, the chemical constituents in Da‐Huang‐Gan‐Cao‐Tang, a traditional Chinese formula, were studied by liquid chromatography coupled with quadrupole time‐of‐flight tandem mass spectrometry and liquid chromatography coupled with ion trap mass spectrometry for the first time. Among the 146 compounds detected in Da‐Huang‐Gan‐Cao‐Tang, 104 compounds were identified unambiguously or tentatively based on their accurate molecular weight and multistage MS data, including one potential novel compound and two reported in Glycyrrhiza genus for the first time. The possible fragmentation pathways were proposed and fragmentation rules of the major types of compounds were concluded. This study provided an example to facilitate the tedious identification of chemical composition in traditional Chinese medicine, and maybe a promising reference approach to research the analogous formulae.     

Identification of the chemical constituents of Chinese medicine Yi‐Xin‐Shu capsule by molecular feature orientated precursor ion selection and tandem mass spectrometry structure elucidation

The incomplete identification of the chemical components of traditional Chinese medicinal formula has been one of the bottlenecks in the modernization of traditional Chinese medicine. Tandem mass spectrometry has been widely used for the identification of chemical substances. Current automatic tandem mass spectrometry acquisition, where precursor ions were selected according to their signal intensity, encounters a drawback in chemical substances identification when samples contain many overlapping signals. Compounds in minor or trace amounts could not be identified because most tandem mass spectrometry information was lost. Herein, a molecular feature orientated precursor ion selection and tandem mass spectrometry structure elucidation method for complex Chinese medicine chemical constituent analysis was developed. The precursor ions were selected according to their two‐dimensional characteristics of retention times and mass‐to‐charge ratio ranges from herbal compounds, so that all precursor ions from herbal compounds were included and more minor chemical constituents in Chinese medicine were identified. Compared to the conventional automatic tandem mass spectrometry setups, the approach is novel and can overcome the drawback for chemical substances identification. As an example, 276 compounds from the Chinese Medicine of Yi‐Xin‐Shu capsule were identified.     

Identifying the chemical markers in raw and wine-processed Scutellaria baicalensis by ultra-performance liquid chromatography/quadrupole time-of-flight mass spectrometry coupled with multiple statistical strategies

Herb processing is a typical pharmaceutical preparation process for traditional Chinese medicine. After processing, its clinical applications and pharmacological effects vary greatly, which is most commonly attributed to the changing chemical properties between raw herb and processed products. In this work, a total of 53 chemical compounds were detected, among which 17 compounds were identified as discriminatory chemicals between raw and wine-processed Scutellaria baicalensis, and 10 components were identified as chemical markers with a cumulative content contribution of 88.75%. In addition, this work revealed that the best wine-processed time was 18 min by investigating the changes of chemical markers in S. baicalensis during processing. This work demonstrated that ultra-performance liquid chromatography/quadrupole time-of-flight mass spectrometry coupled with multiple statistical strategies is an effective approach for screening and identifying discriminatory chemical markers in complex traditional Chinese medicine.