Comparing chemical fingerprints of herbal medicines using modified window target-testing factor analysis
ABSTRACT A "chromatographic fingerprint" of a herbal medicine is essentially its chromatographic spectrum: a characteristic representation of its chemical components, some of which are pharmacologically active. Since a wide variety of factors, such as the geographical location, the harvest season, and the part used can influence the chemical constituents (and therefore the pharmacological activity) of any particular herbal medicine and its products, these fingerprints provide a way to compare and contrast the compositions of different variants of the same herbal medicine. In particular, it is possible to ascertain whether particular components present in one herbal fingerprint are also present in another fingerprint. In this work we use a novel method-modified window target-testing factor analysis (MWTTFA), based on the use of target factor analysis (TFA), fixed-size moving window evolving factor analysis (FSMWEFA) and a Gaussian shape correction to the chromatographic profiles-to achieve this end. To demostrate the strategy, the fingerprints of samples from garlics produced in different geographical locations were compared, as well as the fingerprints of samples taken from above-ground and below-ground parts of Houttuynia cordata Thunb. The results from these comparisons clearly show that four chemical components present in Hunan common edible garlic are absent in Xingping base garlic, while seven components are present in Xingping base garlic but absent in Hunan common edible garlic. Also, eleven components are present in the sample from the above-ground part of Houttuynia cordata Thunb but not in the sample from the below-ground part, while seven components are present in the sample from the below-ground part of Houttuynia cordata Thunb that are not present in the sample from the above-ground part. These interesting conclusions should be very useful for future pharmacological and clinical research into these herbal medicines, and the novel MWTTFA technique can also be used for quality control purposes.
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ABSTRACT: A HPLC-DAD-MS fingerprint method of fresh Houttuynia cordata THUNB. was developed basing on the consistent chromatographic features among 11 batches of authentic samples. Major chemical components including phenolic compounds, flavones and alkaloids were simultaneously analyzed. Eleven common peaks in the fingerprint were chosen and identified by comparing their UV and ESI-MS data with the authentic compounds. The unique properties of this HPLC-DAD-MS fingerprint were successfully applied to analyze and differentiate samples from different geographical origins, processing methods and various medicinal parts of H. cordata. The results showed that these variations will give rise to differences in identities and/or abundance of chemical compounds, indicating that a comprehensive quality evaluation of those major ingredients in H. cordata is critical to assess and represent its overall quality.CHEMICAL & PHARMACEUTICAL BULLETIN 01/2006; 53(12):1604-9. DOI:10.1248/cpb.53.1604 · 1.38 Impact Factor
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ABSTRACT: Houttuynia THUNB. (Saururaceae) has been used for dozens of years in China for the treatment of cough, leucorrhea and ureteritis. The essential oils from the two species: Houttuynia emeiensis and Houttuynia cordata sold in China under one trade name 'Yuxingcao', obtained by hydrodistillation, were analyzed by GC-MS. The results show that fifty-five components were identified and methyl nonyl ketone (2.10-40.36%), bornyl acetate (0.4-8.61%) and beta-myrcene (2.58-18.47%) were the most abundant components in oil, but the percentage of most of compounds in different species and parts varied greatly. The two fold broth dilution and agar dilution method were used to study essential oil of two Houttuynia THUNB. species for their antibacterial properties against microorganisms, Staphylococcus aureus and Sarcina ureae. The two fold dilution method was allowed to determine the minimum inhibitory concentration (MIC) of essential oil from different parts and species. Results showed that all essential oils possessed antibacterial effect, with MIC values in the range of 0.0625 x 10(-3) to 4.0 x 10(-3) ml/ml. However, essential oil from different parts and species differed clearly in their antibacterial activities. The essential oil from the aboveground part of the cultivated Houttuynia emeiensis exhibited higher activity than both parts of the wild and cultivated Houttuynia cordata when used on Staphylococcus aureus (MIC = 0.25 x 10(-3) ml/ml) and Sarcina ureae (MIC = 0.0625 x 10(-3) ml/ml), and had the same activity as the positive control ampicillin sodium.CHEMICAL & PHARMACEUTICAL BULLETIN 08/2006; 54(7):936-40. DOI:10.1248/cpb.54.936 · 1.38 Impact Factor
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ABSTRACT: This study describes the chemometric treatment of vanillin fingerprint chromatograms to distinguish vanillin from different sources. Prior to principal component analysis, which is used to discriminate vanillin from different origins, the fingerprints are aligned. Three alignment algorithms are tested, correlation optimized warping (COW), target peak alignment (TPA) and semi-parametric time warping (STW). The performance of the three algorithms is evaluated and the effect of the different alignments on the PCA score plots is investigated. The alignment obtained with STW differs somewhat from that with COW and TPA. However, equivalent score plots were obtained regarding the different vanillin groups.Journal of Chromatography A 08/2006; 1120(1-2):291-8. DOI:10.1016/j.chroma.2005.11.134 · 4.26 Impact Factor