Identification Of Traditional Chinese Medicine Research Articles

Identification of Traditional Chinese Medicine Based on KNN Algorithm and Random Forest

Medicinal materials are a system of components and complex mixtures, and spectroscopic principles can provide in-depth analysis of the composition mechanism of traditional Chinese medicinal materials through the determination of their material structures. Chinese medicinal materials of different origins and varieties exhibit different spectral characteristics due to differences in chemical composition and organic matter. However, spectral features have high-dimensional attributes, so PCA principal component dimensionality reduction is considered to condense spectral features into representative feature variables. Then, a hierarchical clustering method with a clear hierarchy can be used to classify multiple Chinese medicinal materials into three categories based on their spectral characteristics; At the same time, in order to solve the problem of origin identification, based on the situation that there are many classifications of origins, the KNN algorithm is combined to achieve the requirements of origin identification; Using both mid infrared and near infrared spectral data and using KNN algorithm to verify the origin of Chinese medicinal materials is more accurate; Due to the small number of categories, the prediction of the types of Chinese medicinal materials is implemented using commonly used random forests. The realization of the above methods demonstrates the feasibility of identifying Chinese medicinal materials through infrared spectroscopy, and it is also worth further exploration and research.

ETCM v2.0: An update with comprehensive resource and rich annotations for traditional Chinese medicine.

Existing traditional Chinese medicine (TCM)-related databases are still insufficient in data standardization, integrity and precision, and need to be updated urgently. Herein, an Encyclopedia of Traditional Chinese Medicine version 2.0 (ETCM v2.0, http://www.tcmip.cn/ETCM2/front/#/) was constructed as the latest curated database hosting 48,442 TCM formulas recorded by ancient Chinese medical books, 9872 Chinese patent drugs, 2079 Chinese medicinal materials and 38,298 ingredients. To facilitate the mechanistic research and new drug discovery, we improved the target identification method based on a two-dimensional ligand similarity search module, which provides the confirmed and/or potential targets of each ingredient, as well as their binding activities. Importantly, five TCM formulas/Chinese patent drugs/herbs/ingredients with the highest Jaccard similarity scores to the submitted drugs are offered in ETCM v2.0, which may be of significance to identify prescriptions/herbs/ingredients with similar clinical efficacy, to summarize the rules of prescription use, and to find alternative drugs for endangered Chinese medicinal materials. Moreover, ETCM v2.0 provides an enhanced JavaScript-based network visualization tool for creating, modifying and exploring multi-scale biological networks. ETCM v2.0 may be a major data warehouse for the quality marker identification of TCMs, the TCM-derived drug discovery and repurposing, and the pharmacological mechanism investigation of TCMs against various human diseases.

A New Data Dimension Reduction Method Based On Convolution In The Application Of Authenticity Identification Of Traditional Chinese Medicine LongGu

As a commonly used Chinese herbal medicine in clinic, LongGu is often used as a powder, which is difficult to identify manually. In this study, unsupervised learning method was used to model and identify LongGu, calcining LongGu and LongGu counterfeits by infrared spectroscopy. After preprocessing the original data, the current commonly used principal component analysis method, which was used to reduce the data dimension, and then the KMeans algorithm was used to realize the classification and identification of the samples. The classification results were better in the theoretical samples, but not in the actual samples. Based on this problem, this paper proposes a convolution-based machine learning feature dimension reduction method for spectral data. Comparing with the data method of principal component analysis, the partial classification effect is obviously better on the theoretical data. The effect of identifying calcining LongGu and LongGu counterfeits in actual data has been significantly improved, and it also provides a reference for the application of machine learning technology in the field of spectral identification of traditional Chinese medicine.

A new method for rapid identification of traditional Chinese medicine based on a new silver sol: using the SERS spectrum for quality control of flavonoids and flavonoid glycosides in Potentilla discolor Bge.

The effectiveness of cesium ions as focusing agents in enhancing Raman signals of flavonoids is demonstrated. By using cesium ions, Potentilla discolor Bge. samples from ten origins are characterized, and an efficient method is proposed for identification of traditional Chinese medicines.

Application of Modern Molecular Biotechnology in Identification of Traditional Chinese Medicine

The quality of traditional Chinese medicine is the basis and premise to promote the effective improvement of the curative effect of traditional Chinese medicine, which is related to the safety and health of the people. Strictly controlling the quality of traditional Chinese medicine plays an extremely important role in ensuring the safety of people's lives and promoting the international development of traditional Chinese medicine. Under the background of the rapid development of modern science and technology, the application of molecular biotechnology in the field of traditional Chinese medicine identification is conducive to further promote the improvement and development of traditional Chinese medicine identification technology. In view of this, this paper focuses on the role of modern molecular biotechnology such as electrophoresis technology and gene technology in the identification of traditional Chinese medicine, hoping to provide theoretical reference for building a more perfect quality evaluation system of traditional Chinese medicine, promoting the modernization of traditional Chinese medicine, and realizing the safety and controllability of traditional Chinese medicine.

Surface-Enhanced Raman Spectroscopy Analysis of Astragalus Saponins and Identification of Metabolites After Oral Administration in Rats by Ultrahigh-Performance Liquid Chromatography/Quadrupole Time-of-Flight Mass Spectrometry Analysis.

Astragalus mongholicus Bunge (Fabaceae) is an ancient Chinese herbal medicine, and Astragalus saponins are the main active components, which have a wide range of biological activities, such as immunomodulation, antioxidation, and neuroprotection. In this study, silver nanoparticles obtained by sodium borohydride reduction were used as the enhanced substrate to detect astragaloside I (1), astragaloside II (2), astragaloside III (3), astragaloside IV (4), isoastragaloside I (5), and isoastragaloside II (6) in the phloem, xylem, and cork by surface-enhanced Raman spectroscopy (SERS). In the SERS spectrum of Astragalus slices, the characteristic peaks were observed at 562, 671, 732, 801, 836, 950, 1,026, 1,391, and 1,584 cm−1, among which 950 cm−1 and 1,391 cm−1 were strong SERS signals. Subsequently, the metabolites of the six kinds of Astragalus saponins were identified by UPLC/ESI/Q-TOF-MS. Totally, 80, 89, and 90 metabolites were identified in rat plasma, urine, and feces, respectively. The metabolism of saponins mainly involves dehydration, deacetylation, dihydroxylation, dexylose reaction, deglycosylation, methylation, deacetylation, and glycol dehydration. Ten metabolites (1-M2, 1-M11, 2-M3, 2-M12, 3-M14, 4-M9, 5-M2, 5-M17, 6-M3, and 6-M12) were identified by comparison with reference standards. Interestingly, Astragalus saponins 1, 2, 5, and 6 were deacetylated to form astragaloside IV (4), which has been reported to have good pharmacological neuroprotective, liver protective, anticancer, and antidiabetic effects. Six kinds of active Astragalus saponins from different parts of Astragalus mongholicus were identified by SERS spectroscopy. Six kinds of active Astragalus saponins from different parts of Astragalus mongholicus were identified by SERS spectrum, and the metabolites were characterized by UPLC/ESI/Q-TOF-MS, which not only provided a new method for the identification of traditional Chinese medicine but also provided a theoretical basis for the study of the pharmacodynamic substance basis of Astragalus mongholicus saponins.

Paris polyphylla var. yunnanensis genotype classification and fluorescence visual identification

AbstractParis polyphylla Smith. var. yunnanensis (Franch.) Hand.‐Mazz (PPY) is the legal species of Rhizoma Paridis recorded in the Chinese pharmacopeia. Therefore, accurate and convenient identification of PPY and its adulterants is key to the quality control of Rhizoma Paridis. In this research, according to single nucleotide polymorphism of internal transcribed spacer, two genotypes (YN‐I and YN‐II) of PPY are in existence. To avoid false‐negative results from the omission of the genotype during authenticity identification of PPY, two pairs of specific primers for YN‐I and YN‐II were designed, respectively. Furthermore, with the fluorescent dye SYBR Green I introduced into the polymerase chain reaction (PCR) system, the identification results were directly observed in virtue of the green fluorescent color of the PCR products. After methodological validation based on 25 batches of commercial medicinal material, a rapid and specific visual fluorescent identification method for two genotypes of PPY from its adulterants was established. This research also provided a model for accurate and intuitive identification of traditional Chinese medicine from multiple species of the same genus.

Quality monitoring and evaluation of Powdered Poppy Capsule Extractive by multiple wavelengths matching average fusion chromatographic fingerprint combined with electrochemical fingerprint

As quality determined the effectiveness and safety of the drug, it is essential to investigate and control the quality of Powdered Poppy Capsule Extractive (PPCE). In this paper, the qualitative and quantitative evaluation results of PPCE were obtained by using electrochemical fingerprint and high performance liquid chromatographic fingerprint. In the multi-wavelength matching average fusion chromatographic fingerprint, three parameters of macro qualitative similarity (Sc), macro quantitative similarity (Pc) and the variation coefficient of fingerprint homogeneity (α) were calculated by the limited quantified ratio fingerprint method (LQRFM). The Sc values of the samples were all greater than 0.986, the Pc values between 94.1 and 104.7, and the α values all less than 0.024 calculated by LQRFM. The calibration curve method was used to determine the contents of two markers in the samples. The loading plot of contents for two markers illustrated that the samples were divided into three categories. Firstly, the contents of morphine and codeine phosphate were below 9.3% and 4.20% in Group I (S2, S3, S6, S8, S27 and S30). Secondly, the codeine phosphate contents of Group II (S7, S9, S10, S16, S20, S24, S28 and S29) were less than 4.2%, but the morphine contents were over 9.3%.Finally, Samples with codeine phosphate content higher than 4.2% and morphine higher than 9.3% were classified as the Group III. Combined with cluster analysis of the maximum amplitude in the electrochemical fingerprint and the content determination results of PPCE, the results showed a high similarity. This study demonstrated that the electrochemical fingerprint was suitable for the identification of traditional Chinese medicine, and LQRFM was reliable and accurate for the quality control of complex traditional Chinese medicine or its related products.

[Identification of Chinese medicine sea snake based on cytochrome B (Cytb)].

The identification of species primordium has been one of the hot issues in the identification of traditional Chinese medicine. Sea snake is one of the most valuable Chinese medicinal materials in China. In order to understand the origin and varieties of sea snake in the market, we studied the molecular identification of 46 sea snakes by cytochrome B(Cytb). After comparison and manual correction, the sequence length was 582 bp, and the content of A+T(58.9%) was higher than that of G+C(41.1%). There exist 197 variable sites and 179 parsimony-informative sites of the sequence. There are 44 kinds of sequence alignment with consistency equal to 100%, and 2 kinds equal to 96%. A total of 408 Cytb effective sequences were downloaded from GenBank database, with a total of 68 species. Phylogenetic tree of a total of 454 sea snake sequences with the samples in this study were constructed by neighbor-joining trees and Bayesian inference method, respectively, which can identify 42 samples of medicinal materials, while 4 samples can not be identified because of their low node support. The results showed that the species of the sea snake medicine were at least from 2 genera and 5 species, namely, Aipysurus eydouxii, Hydrophis curtus, H. caerulescen, H. curtus, H. ornatus and H. spiralis. This study suggested that the original species of commercial sea snake are very complex and can provide insight into the identification of sea snakes.

2019_nCoV/SARS-CoV-2: rapid classification of betacoronaviruses and identification of Traditional Chinese Medicine as potential origin of zoonotic coronaviruses.

The current outbreak of a novel severe acute respiratory syndrome‐like coronavirus, 2019_nCoV (now named SARS‐CoV‐2), illustrated difficulties in identifying a novel coronavirus and its natural host, as the coding sequences of various Betacoronavirus species can be highly diverse. By means of whole‐genome sequence comparisons, we demonstrate that the noncoding flanks of the viral genome can be used to correctly separate the recognized four betacoronavirus subspecies. The conservation would be sufficient to define target sequences that could, in theory, classify novel virus species into their subspecies. Only 253 upstream noncoding sequences of Sarbecovirus are sufficient to identify genetic similarities between species of this subgenus. Furthermore, it was investigated which bat species have commercial value in China, and would thus likely be handled for trading purposes. A number of coronavirus genomes have been published that were obtained from such bat species. These bats are used in Traditional Chinese Medicine, and their handling poses a potential risk to cause zoonotic coronavirus epidemics.Significance and Impact of the StudyThe noncoding upstream and downstream flanks of coronavirus genomes allow for rapid classification of novel Betacoronavirus species and correct identification of genetic relationships. Although bats are the likely natural host of 2019_nCoV, the exact bat species that serves as the natural host of the virus remains as yet unknown. Chinese bat species with commercial value were identified as natural reservoirs of coronaviruses and are used in Traditional Chinese Medicine. Since their trading provides a potential risk for spreading zoonoses, a change in these practices is highly recommended.

[Progress on application of terahertz time-domain spectroscopy in identification of traditional Chinese medicine].

With the increasing demand for traditional Chinese medicines(TCMs), the resources of TCMs are gradually rare, and the phenomenon that TCMs fake is a common occurrence. Consequently, we need to urgently improve identification technique of TCMs. Terahertz time-domain spectroscopy(THz-TDS) is a newly emerging spectroscopy technology that has been widely used in image, security inspection, biological detection, medicine, material technology, aerospace, oil exploration and other fields. Which is currently used as a simple and quick method to identify the origins, fake products, processed products and pesticide residues of TCMs, hence, it plays a significant role in supplementing and improving the quality control levels of TCMs. In this paper, the composition principle of THz-TDS and its advantages in authentification of TCMs have been summarized. Additionally, the current situation and application prospects of THz-TDS in the field of TCM identification have also been reviewed.

Identification of Genuine and Adulterated Pinellia ternata by Mid-Infrared (MIR) and Near-Infrared (NIR) Spectroscopy with Partial Least Squares - Discriminant Analysis (PLS-DA)

Spectroscopy techniques are powerful tools for the rapid identification of traditional Chinese medicine because they provide chemical information with no sample preparation. In this study, a rapid and reliable approach was proposed to differentiate Pinellia ternata from adulterated P. ternata, processed P. ternata, and adulterated processed P. ternata by mid-infrared (MIR) and near-infrared (NIR) spectroscopy coupled with a partial least squares-discriminant analysis (PLS-DA) algorithm. One-hundred sixty-five batches of P. ternata, adulterated P. ternata, processed P. ternata, and adulterated processed P. ternata samples were collected and prepared. All of the samples were characterized by MIR and NIR spectra. The PLS-DA was first applied to build the discriminant model on the individual data matrices. Next, the data matrices coming from MIR and NIR spectra were fused at the low-level and mid-level, and PLS-DA models were built on the fused data. The classification accuracy, sensitivity, and specificity were calculated to evaluate the PLS-DA models. The results showed the use of mid-level fusion strategy, in particular, integrating latent variables from different spectral data matrices, allowed the correct discrimination of all samples in the training and testing sets. In the case of mid-level fusion with latent variables, the accuracy of the PLS-DA model was 100%, and the sensitivity and specificity of the PLS-DA model were all 1. The present discriminant model can be successful to differentiate P. ternata from adulterated P. ternata, processed P. ternata, and adulterated processed P. ternata. This study first provides a new path for the quality control of P. ternata.

[Method for active ingredients' in vivo target identification of traditional Chinese medicine using magnetic nanoparticles].

Target identification is an important prerequisite for the study of medicine action mechanism. Currently,drug target identification is mostly based on various cell models in vitro. However,the growth microenvironment,nutrition metabolism,biological properties as well as functions are quite different between in vitro cell culture and physiological environment in vivo; wherefore,it is a challenging scientific issue to establish an effective method for identifying drug targets in vivo condition. In this study,we successfully prepared a kind of magnetic nanoparticles( MNPs) which can be chemically modified by the hydroxyl structure of natural bioactive compound echinacoside( ECH) via the epoxy group label on the surface of MNPs. Therefore,organ-selective and recoverable nanoscale target-recognizing particles were prepared. We then intravenously injected the ECH-binding MNPs into rats and distributed them to specific organs in vivo. After cell endocytosis,ECH-binding MNPs captured target proteins in situ for further analysis. Based on this method,we discovered several potential target proteins in the spleen lysates for ECH,and preliminarily clarified the immuno-regulation mechanism of ECH. Collectively,our strategy developed a proof-of-concept technology using nanoparticles for in vivo target identification,and also provided a feasible approach for drug target prediction and pharmacological mechanism exploration.

Electrochemical fingerprint of traditional Chinese medicines based on BrO⁻₃-Ce⁴⁺-H⁺-malonic acid/tartaric acid chemical oscillating system

A new composite organic oscillating reaction system based on BrO₃-Ce(SO₄)₂-H₂SO₄-malonic acid/tartaric acid was proposed in this paper. On the basis of the influence of the concentration of each component on the stability and characteristic parameters of the blank system, the electrochemical fingerprints of 30 kinds of traditional Chinese medicines (TCM) were obtained. The results showed that the electrochemical fingerprint can be used for the identification of TCMs, the distinguishment of different parts and the appraisal of genuineness, which is fast, sensitive and accurate. At the same time, we explored and verified the mechanism of oscillation and the formation mechanism of TCM fingerprint.

Growth rings in roots of medicinal perennial dicotyledonous herbs from temperate and subtropical zones in China.

Growth years are closely related to the quality of Chinese medicinal materials, and they can provide a reliable basis for quality evaluation on crude drugs in accordance with the suitable growth years. Herbchronology, the numerical and pattern analysis of annual growth rings in herbaceous perennials, has emerged to be a recognized science that is applied in age determination of perennial forbs. Fifty medicinal species growing in temperate and subtropical zones of China were examined by microstructure observation to determine the presence of growth rings in the secondary root xylem of medicinal perennial dicotyledonous herbs. Nearly half of the surveyed species showed clearly or relatively clearly demarcated growth rings in their roots, and additional anatomical patterns have been observed in different species. Clear variations in growth rings of different genus or species were characterized in this study, and these findings proved the feasibility of applying herbaceous plant growth rings in age identification of traditional Chinese medicine.

Direct Analysis in Real-time Mass Spectrometry for Rapid Identification of Traditional Chinese Medicines with Coumarins as Primary Characteristics.

The increasing popularity of traditional Chinese medicines (TCMs) necessitates rapid and reliable methods for controlling their quality. Direct analysis in real-time mass spectrometry (DART-MS) represents a novel approach to analysing TCMs. To develop a quick and reliable method of identifying TCMs with coumarins as primary characteristics. DART-MS coupled with ion trap mass spectrometry was employed to rapidly identify TCMs with coumarins as primary characteristics and to explore the ionisation mechanisms of simple coumarins, furocoumarins and pyranocoumarins in detail. With minimal sample pretreatment, mass spectra of Fraxini Cortex, Angelicae Pubescentis Radix, Peucedani Radix and Psoraleae Fructus samples were obtained within seconds. The operating parameters of the DART ion source (e.g. grid electrode voltage and ionisation gas temperature) were carefully investigated to obtain high-quality mass spectra. The mass spectra of samples and DART-MS/MS spectra of marker compounds were used to identify sample materials. Successful authentication was achieved by analysing the same materials of different origins. Some simple coumarins, furocoumarins and pyranocoumarins can be directly detected by DART-MS as marker compounds. Our results demonstrated that DART-MS can provide a rapid and reliable method for the identification of TCMs containing different configurations of coumarins; the method may also be applicable to other plants. Copyright © 2016 John Wiley & Sons, Ltd.

Application of microscopic spectroscopy in quality control of Niuhuang Qingxin pills

Application of microscopic spectroscopy in quality control of Niuhuang Qingxin pills was discussed. First, microscopic characteristics specified by the statutory standard of Niuhuang Qingxin pills were summarized. Then new identification method was established for Dioscoreae Rhizoma, Saigae Tataricae Cornu, Cinnamomi Cortex and Saposhnikoviae Radix. Finally, microscopic spectroscopy was used for test of Dioscoreae Rhizoma's adulterant Dioscoreae Fordii Rhizoma.It was the first time for this technology being applied in adulteration test of Chinese patent medicine.The results showed that Saigae Tataricae Cornu was not detected in 2 batches of Niuhuang Qingxin pills from 1 manufacturer while Dioscoreae Fordii Rhizoma was detected in 3 batches of samples from 2 manufacturers. The proposed methods were accurate, simple, rapid, objective and economic, which offered a more comprehensive approach for quality control of Niuhuang Qingxin pills. It was indicated that conventional technology such as microscopic spectroscopy could play an important role in identification of traditional Chinese medicine whose index ingredient was deficient or tiny.

DNA barcoding and its utility in commonly-used medicinal snakes

Identification accuracy of traditional Chinese medicine is crucial for the traditional Chinese medicine research, production and application. DNA barcoding based on the mitochondrial gene coding for cytochrome c oxidase subunit I (COI), are more and more used for identification of traditional Chinese medicine. Using universal barcoding primers to sequence, we discussed the feasibility of DNA barcoding method for identification commonly-used medicinal snakes (a total of 109 samples belonging to 19 species 15 genera 6 families). The phylogenetic trees using Neighbor-joining were constructed. The results indicated that the mean content of G + C(46.5%) was lower than that of A + T (53.5%). As calculated by Kimera-2-parameter model, the mean intraspecies genetic distance of Trimeresurus albolabris, Ptyas dhumnades and Lycodon rufozonatus was greater than 2%. Further phylogenetic relationship results suggested that identification of one sample of T. albolabris was erroneous. The identification of some samples of P. dhumnades was also not correct, namely originally P. korros was identified as P. dhumnades. Factors influence on intraspecific genetic distance difference of L. rufozonatus need to be studied further. Therefore, DNA barcoding for identification of medicinal snakes is feasible, and greatly complements the morphological classification method. It is necessary to further study in identification of traditional Chinese medicine.

Key problems in development of molecular identification in traditional Chinese medicine

Molecular identification of Chinese traditional medicine has come from laboratory research into application, but there are some misunderstandings and problems emerging after rapid development. In this paper, we discuss the usage principle, hot field and technology innovation in molecular identification of Chinese traditional medicine. And molecular identification of traditional Chinese medicine has scientific and objective basis, follows the certain systematic research background, and adopts practical principles to establish case by case multi-class identification system. In order to achieve rapid, on-site, high throughput, low cost of traditional Chinese medicine identification purpose, molecular identification technology is further developing for meet the actual needs and the laboratory results further transformation in the service of traditional Chinese medicine industry.

In situ investigation to three dimensional structures of Chinese medicines seeds

This paper is aimed to microscopic identification of traditional Chinese medicines (TCMs) using an in situ imaging method. In this study, two kinds of Zingiberaceae seeds, Amomi Rotundus Fructus and Alpiniae Katsumadai Semen, were investigated by synchrotron radiation in-line X-ray phase-contrast computed tomography (IXPCT) imaging method. The results showed that the microstructures of these Zingiberaceae seeds could be clearly obtained from the virtual slices information in different observing angles. It proves that IXPCT is an effective imaging method, which can provide the imaging information for the microscopic identification of the intact TCMs in situ and non-destructively.