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1.
《Analytical letters》2012,45(14):2475-2492
Abstract Recently, the fingerprinting approach using chromatography has become one of the most potent tools for quality assessment of herbal medicine. Due to the complexity of the chromatographic fingerprint and the irreproducibility of chromatographic instruments and experimental conditions, several chemometric approaches such as variance analysis, peak alignment, correlation analysis, and pattern recognition were employed to deal with the chromatographic fingerprint in this work. To facilitate the data preprocessing, a software named Computer Aided Similarity Evaluation (CASE) was also developed. All programs of chemometric algorithms for CASE were coded in MATLAB5.3 based on Windows. Data loading, removing, cutting, smoothing, compressing, background and retention time shift correction, normalization, peak identification and matching, variation determination of common peaks/regions, similarity comparison, sample classification, and other data processes associated with the chromatographic fingerprint were investigated in this software. The case study of high pressure liquid chromatographic HPLC fingerprints of 50 Rhizoma chuanxiong samples from different sources demonstrated that the chemometric approaches investigated in this work were reliable and user friendly for data preprocessing of chromatographic fingerprints of herbal medicines for quality assessment. 相似文献
2.
Recently, chromatographic fingerprinting has become one of the most powerful approaches to quality control of herbal medicines. However, the performance of reported chromatographic fingerprinting constructed by single chromatogram sometimes turns out to be inadequate for complex herbal medicines, such as multi-herb botanical drug products. In this study, multiple chromatographic fingerprinting, which consists of more than one chromatographic fingerprint and represents the whole characteristics of chemical constitutions of the complex medicine, is proposed as a potential strategy in this complicated case. As a typical example, a binary chromatographic fingerprinting of “Danshen Dropping Pill” (DSDP), the best-sold traditional Chinese medicine in China, was developed. First, two HPLC fingerprints that, respectively, represent chemical characteristics of depsides and saponins of DSDP were developed, which were used to construct binary chromatographic fingerprints of DSDP. Moreover, the authentication and validation of the binary fingerprints were performed. Then, a data-level information fusion method was employed to capture the chemical information encoded in two chromatographic fingerprints. Based on the fusion results, the lot-to-lot consistency and frauds can be determined either using similarity measure or by chemometrics approach. The application of binary chromatographic fingerprinting to consistency assessment and frauds detection of DSDP clearly demonstrated that the proposed method was a powerful approach to quality control of complex herbal medicines. 相似文献
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《Journal of separation science》2017,40(23):4511-4520
A novel averagely linear‐quantified fingerprint method was proposed and successfully applied to monitor the quality consistency of alkaloids in powdered poppy capsule extractive. Averagely linear‐quantified fingerprint method provided accurate qualitative and quantitative similarities for chromatographic fingerprints of Chinese herbal medicines. The stability and operability of the averagely linear‐quantified fingerprint method were verified by the parameter r . The average linear qualitative similarity (improved based on conventional qualitative “Similarity”) was used as a qualitative criterion in the averagely linear‐quantified fingerprint method, and the average linear quantitative similarity was introduced as a quantitative one. was able to identify the difference in the content of all the chemical components. In addition, was found to be highly correlated to the contents of two alkaloid compounds (morphine and codeine). A simple flow injection analysis was developed for the determination of antioxidant capacity in Chinese Herbal Medicines, which was based on the scavenging of 2,2‐diphenyl‐1‐picrylhydrazyl radical by antioxidants. The fingerprint–efficacy relationship linking chromatographic fingerprints and antioxidant activities was investigated utilizing orthogonal projection to latent structures method, which provided important pharmacodynamic information for Chinese herbal medicines quality control. In summary, quantitative fingerprinting based on averagely linear‐quantified fingerprint method can be applied for monitoring the quality consistency of Chinese herbal medicines, and the constructed orthogonal projection to latent structures model is particularly suitable for investigating the fingerprint–efficacy relationship. 相似文献
5.
Fingerprint analysis of Ligusticum chuanxiong using hydrophilic interaction chromatography and reversed-phase liquid chromatography 总被引:1,自引:0,他引:1
Jin Y Liang T Fu Q Xiao YS Feng JT Ke YX Liang XM 《Journal of chromatography. A》2009,1216(11):2136-2141
Fingerprint analysis is considered one of the most powerful approaches to quality control in traditional Chinese medicines (TCMs). In this study, a binary chromatographic fingerprint analysis was developed using hydrophilic interaction chromatography (HILIC) and reversed-phase liquid chromatography (RPLC) to gain more chemical information about polar compounds and weakly polar compounds. This method was used to construct a chromatographic fingerprint of Ligusticum chuanxiong. The two chromatographic methods demonstrated good precision, reproducibility, and stability, with relative standard deviations of <2% for retention time and 7% for peak area for both HILIC and RPLC separations. Data from the analysis of 14 samples by HILIC and RPLC were processed with similarity analysis, with correlation coefficients and congruence coefficients. This binary fingerprint analysis, using two chromatographic modes, is a powerful tool for characterizing the quality of samples, and can be used for the comprehensive quality control of TCMs. 相似文献
6.
Qing LS Xue Y Deng WL Liao X Xu XM Li BG Liu YM 《Analytical and bioanalytical chemistry》2011,399(3):1223-1231
The chemical composition of herbal medicines is very complex, and their therapeutic effects are determined by multi-components
with sophisticated synergistic and/or suppressive actions. Therefore, quality control of herbal medicines has been a formidable
challenge. In this work, we describe a fast analytical method that can be used for quality assessment of herbal medicines.
The method is based on ligand fishing using human-serum-albumin-functionalized magnetic nanoparticles (HSA-MNPs) and mass
spectrometry. To demonstrate the applicability of the proposed method, eight samples of Dioscorea panthaica were analyzed. The sampled plants were of both wild and cultivated origins. They grew at different geographical locations
and were harvested at different times. The ligands bound to HSA-MNPs were isolated from the plant extracts and detected by
using direct infusion electrospray ionization mass spectrometry (DI–ESI–MS). Chemical identity has been confirmed for five
of the ligands isolated. From more than 15 peaks in the ESI–MS spectrum, 11 common peaks were selected for calculating the
correlation coefficient and cosine ratio. The values of correlation coefficient and cosine ratio were >0.9824 and >0.9988,
respectively, for all the samples tested. The results indicated a high level of similarity among the eight D. panthaica samples. Compared with chromatographic fingerprint analysis, the proposed HSA-MNP-based DI–ESI–MS/MS approach was not only
fast and easy to carry out but also biological-activity-oriented, promising a more effective data interpretation and thus
reliable assessment conclusions. 相似文献
7.
Chemical fingerprinting methodology is an approach for quality assessment and control of herbal medicines and related products based on the holistic chemical profile obtained by various analytical techniques. This study demonstrates the first application of paper spray mass spectrometry (PS-MS) as a chemical fingerprinting methodology for tracing the origins, establishing the authenticity, and assessing the overall quality of a famous herbal product, Bansha herbal tea (BHT). A negative ion PS-MS spectrum yielded the best chemical profiling information and was most appropriate for fingerprint analysis of BHT. In addition to the identification of active ingredients, various compounds present in BHT were simultaneously detected without any sample pretreatment and chromatographic separation, providing valuable information for the quality assessment and control of this herbal product. According to the principal component analysis of the PS-MS fingerprints, two sources of commercially available BHT products made by different manufacturers were easily differentiated. Qualified and expired products from the two manufacturers were also successfully distinguished, and the consistency of the quality between the manufacturers was assessed. Our experimental data demonstrated that the PS-MS chemical fingerprinting is a simple, rapid, and robust methodology for pharmaceutical analysis, with promising prospects for quality assessment and control of herbal medicines and related products with high-throughput. 相似文献
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Rimadani Pratiwi Ratu Hanifa Fayza Dipadharma Ishmat Jati Prayugo Olivia Angelina Layandro 《Molecules (Basel, Switzerland)》2021,26(21)
Herbal medicine has become popular in recent years as an alternative medicine. The problem arises when herbal medicines contain an undeclared synthetic drug that is illegally added, since it is a natural product that does not contain any chemical drugs due to the potential cause of harmful effects. Supervision of herbal medicines is important to ensure that these herbal medicines are still safe to use. Thus, developing a reliable analytical technique for the determination of adulterated drugs in herbal medicine is gaining interest. This review aims to provide a recent analytical method that has been used within the past 5 years (2016–2021) for the determination of chemical adulterants in herbal medicine. 相似文献
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A new approach to the construction and similarity analysis of chromatographic fingerprint for herbal medicine is presented in this paper. Samples of chuanxiong, a herbal medicine for headache, from three producing areas of China were used to evaluate the utility of this study. The samples were analyzed with high-performance liquid chromatography (HPLC) and the peak areas of the chromatograms were used to construct the fingerprints of the herbal medicines. A vector of differences was defined between the two fingerprints. The scalar mean of the difference vector was taken as a statistic and both the t-test and Bayesian hypothesis testing were implemented to provide a one-to-one comparison of the fingerprints. Compared with principal component analysis (PCA), correlation coefficient and vector cosine, the new method offers a better differentiation of the similarity or difference between the fingerprints from same sample of chuanxiong. When the new method was used in the similarity analysis of the fingerprints of chuanxiong from different production areas, a clear-cut signature was obtained that reveals the significant difference between them. 相似文献
12.
Modified secured principal component regression for detection of unexpected chromatographic features in herbal fingerprints 总被引:2,自引:0,他引:2
Secured principal component regression is modified for the qualitative analysis of chromatographic fingerprint data sets of herbal samples with residual concentrations. After chromatographic shift-correction and autoscaling are performed on the data, this modified secured principal component regression (msPCR) can detect unexpected chromatographic features in various herbal fingerprints. The successful application of msPCR to two real herbal medicines of Erigeron breviscapus from different geographical origins and Ginkgo biloba from various sources or vendors demonstrates that the proposed method can detect reasonably unexpected features differing from the regulars or not being modeled. From a chemical point of view, the causes have also been explained to corroborate the results. Moreover, it presents a viable approach for the qualitative evaluation of diverse herbal objects with a regular class of chromatographic fingerprints. 相似文献
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In this study, an internal standard (IS) wooden-tip electrospray ionization mass spectrometry (ESI-MS) fingerprint method was developed for rapid quality assessment and control of Shuang-Huang-Lian (SHL) oral liquid, a famous herbal preparation registered by Chinese Pharmacopoeia. Sharp wooden tips with tip-end o.d. of 150–200 μm, which are similar to the diameter of commercially available ESI emitter, were used as solid substrates to extract samples and induce electrospray for mass spectrometric analysis. Various active ingredients present in SHL oral liquid, including organic acids, flavonoids, and phenylethanoid glycosides, etc., were simultaneously detected without any sample pretreatment and chromatographic separation. Perfluorooctanesulfonic acid was used as an IS compound to calculate the content fluctuations of active ingredients, and principal component analysis was applied to the obtained fingerprints to achieve systematically and comprehensively quality assessment of investigated samples. The quality stability and consistency were successfully assessed, the sources of different manufacturers were traced, and the qualified, short expired and long expired products were also distinguished unambiguously. Our experimental data demonstrated that IS ambient mass spectrum fingerprint is a simple and efficient approach for rapid quality assessment and control of herbal medicines. 相似文献
15.
Chromatographic fingerprinting technique of traditional Chinese medicine (TCM) has proved to be a comprehensive strategy for assessing the intact quality of herbal medicine. In general, one could use the chromatographic techniques to obtain a relatively complete picture of herbal medicines, which are in common called chromatographic fingerprints of herbal medicines to represent the so-called phytoequivalence. Based on this, the features of chromatographic fingerprints of herbal medicines have been discussed in some detail. The technique based on chromatographic fingerprinting is essentially a kind of high-throughput and integral tools to explore the complexity of herbal medicines. In order to further control the comprehensive quality of TCMs, some new strategies are proposed to trace the chemical changes of chromatographic fingerprints both in product processing and/or after their administration by modern chromatographic techniques and chemometrics. Combined with metabolomics, it seems possible for one to reveal the working mechanism of TCMs and to further control their intrinsic quality. Finally, the intensive study of chromatographic fingerprinting coupled with multivariate analysis tools developed in bioinformatics and chemometrics are emphasized in order to achieve the aim to reveal the working mechanisms of TCMs and to further control and strengthen TCMs' intrinsic quality in a comprehensive manner. 相似文献
16.
Correction of retention time shifts for chromatographic fingerprints of herbal medicines 总被引:1,自引:0,他引:1
In this study, the combination of chemometric resolution and cubic spline data interpolation was investigated as a method to correct the retention time shifts for chromatographic fingerprints of herbal medicines obtained by high-performance liquid chromatography-diode array detection (HPLC-DAD). With the help of the resolution approaches in chemometrics, it was easy to identify the purity of chromatographic peak clusters and then resolve the two-dimensional response matrix into chromatograms and spectra of pure chemical components so as to select multiple mark compounds involved in chromatographic fingerprints. With these mark components determined, the retention time shifts of chromatographic fingerprints might be then corrected effectively. After this correction, the cubic spline interpolation technique was then used to reconstruct new chromatographic fingerprints. The results in this work showed that, the purity identification of the chromatographic peak clusters together with the resolution of overlapping peaks into pure chromatograms and spectra by means of chemometric approaches could provide the sufficient chromatographic and spectral information for selecting multiple mark compounds to correct the retention time shifts. The cubic spline data interpolation technique was user-friendly to the reconstruction of new chromatographic fingerprints with correction. The successful application to the simulated and real chromatographic fingerprints of two Cortex cinnamomi, fifty Rhizoma chuanxiong, ten Radix angelicae and seventeen Herba menthae samples from different sources demonstrated the reliability and applicability of the approach investigated in this work. Pattern recognition based on principal component analysis for identifying inhomogenity in chromatographic fingerprints from real herbal medicines could further interpret it. 相似文献
17.
Chromatographic separation techniques and data handling methods for herbal fingerprints: a review 总被引:2,自引:0,他引:2
As herbal medicines have an important position in health care systems worldwide, their current assessment and quality control are a major bottleneck. Over the past decade, major steps were taken not only to improve the quality of the herbal products but also to develop analytical methods ensuring their quality. Nowadays, chromatographic fingerprinting is the generally accepted technique for the assessment and quality control of herbal products. This paper briefly considers the evolution of the regulations and guidelines on the quality control of herbal medicines, and reviews the established analytical techniques for herbal fingerprinting with an emphasis on the most recent developments, such as miniaturized techniques, new stationary phases, analysis at high temperatures and multi-dimensional chromatography. Accessory to the new analytical techniques, the chemometric data handling techniques applied are discussed. Chemometrics provide scientists with useful tools in understanding the huge amounts of data generated by the analytical advances and prove to be valuable for quality control, classification and modelling of, and discrimination between herbal fingerprints. 相似文献
18.
In herbal medicinal products the entire herbal drug or an herbal drug preparation is regarded as the active pharmaceutical ingredient, regardless of whether constituents with defined therapeutic activity are known. In quality control and stability testing of herbal medicinal products, fingerprint chromatograms are used as powerful tools to evaluate and compare the composition of compounds in such products. To fulfill the International Conference on Harmonization and Good Manufacturing Practice-based regulatory requirements in pharmaceutical quality control, chromatographic fingerprint analysis needs to be validated. Based on a standardized methodology, this paper provides a comprehensive concept for evaluating validation parameters for planar chromatographic fingerprinting by considering the stationary phase, sample application, developing solvent, chromatogram development, plate labeling, derivatization, documentation, and chromatographic equipment. Validation parameters addressed include stability of the analyte, selectivity, robustness testing, and method reproducibility. 相似文献
19.
Our present study constitutes the first successful attempt to employ eight distinctive chemical groups of compounds for the quality evaluation of a complex traditional Chinese herbal medicine (TCHM) material: BaZhen YiMu (BZYM). Due to the complexity of its matrix, which is composed of nine different herbal ingredients, five representative chemical groups encompassing representative bioactive markers were initially chosen as targets for the quality assessment of this preparation. Furthermore, with the aid of LC‐ESI‐MS, three additional chemical groups were characterized. In summary, a total of nineteen markers belonging to eight different chemical groups were selectively displayed in the chromatographic fingerprint of BZYM preparation. With this fingerprint, the overall quality of any BZYM preparation can be comprehensively authenticated. The chromatographic separation was performed on an HP C18 AQ column with a gradient elution of ACN and aqueous solution containing 0.1% phosphoric acid at the optimal detection wavelength of 230 nm. The established method was rigorously validated with respect to the ICH guidelines and represents the most extensive and facile HPLC quality control technique for this formulation. Compared with the conventional method of using a single or only a few markers of the same chemical group, this technique provides a new dimension for TCHM quality control. 相似文献
20.
H. S. Moreira M. B. A. Vasconcellos E. R. Alves F. M. Santos M. Saiki 《Journal of Radioanalytical and Nuclear Chemistry》2011,290(3):615-621
In Brazil, the use of herbal medicines is very popular due to its immense flora, cultural aspects and to the popular belief
that herbs, which are of natural origin, are safe and without undesirable side effects. Aside from that public interest in
natural therapies, the use of herbal medicines has increased expressively due to the high cost of synthetic medicines. In
this study, elemental compositions of herbal medicines from the species Ginseng, Ginkgo biloba, Centella asiatica, Mulberry and Aloe vera supplied by different suppliers were evaluated by neutron activation analysis. The concentrations of As, Ba, Br, Ca, Cl,
Co, Cr, Cs, Fe, Hf, K, Mg, Mn, Na, Rb, Sb, Sc, Th, Zn and some lanthanides were determined in these samples. Comparisons made
between the results indicated differences in their elemental contents depending on the plant species, origins of the samples
and the age of the leaves. The results also showed that the herbal medicines contain elements such as Ca, Co, K, Fe, Mg and
Zn known as essential to humans and for treatment and prevention of diseases. Toxic elements such as Hg, Cd and Cu were not
detected. Elements As and Sb were detected in some samples but at very low concentrations at the μg kg−1 levels. Herbal medicine results were also compared to literature values. Biological certified reference material was analyzed
for quality control of the analytical results. 相似文献