Identification and cluster analysis of Streptococcus suis by matrix-assisted laser desorption ionization time-of-flight mass spectrometry / 公共卫生与预防医学

Objective To evaluate the feasibility of matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS) for identification and cluster analysis of Streptococcus suis. Methods Eighteen clinical isolates biochemically identified as Streptococcus suis were pre-treated by smearing formic acid method and formic acid-acetonitrile extraction method. The identification results and protein profiles of MALDI-TOF-MS method were analyzed and compared. A self-constructed database of profiling with better pretreatment method was established, and cluster analysis was performed on the 18 strains of Streptococcus suis. At the same time, PFGE homology analysis was performed to compare the results of the two genotyping. Results Both pretreatment methods could accurately identify Streptococcus suis with scores above 2.1. The protein fingerprint of formic acid and acetonitrile extraction method had a smoother baseline, fewer miscellaneous peaks and more identifiable ion peaks. Comparison of the results of homology typing showed that the homology results of MALDI-TOF-MS were significantly different from those of PFGE. Conclusion MALDI-TOF-MS can accurately identify Streptococcus suis for the strains pre-treated with formic acid method or formic acid-acetonitrile extraction method, and the formic acid-acetonitrile extraction method can obtain a better protein mapping. MALDI-TOF-MS can play a certain role in typing, but it still has some limitations and cannot completely replace the PFGE.

Study on medication law of TCM compounds with national patents for treatment of vascular dementia / 国际中医中药杂志

Objective:To explore the prescription and medication law of Traditional Chinese Medicine (TCM) compounds in the treatment of vascular dementia (VD) based on patent database.Methods:TCM compounds with patents about VD were retrieved from Chinese patent announcement website of the State Intellectual Property Office and CNKI. The retrieval time was from the establishment to the databases to 31 st, March 2022. The frequency, clusteringand association analysis were carried out with the help of TCM inheritance auxiliary platform (V2.5). The medication law was analyzed. Results:154 TCM compound patents for the treatment of vascular dementia were screened, involving 227 kinds of Chinese materia medica. Among them, Acori Tatarinowii Rhizoma (44 times, 28.57%) was used more frequently, and the common medicinal pair was Salviea Miltiorrhizae Radix et Rhizoma- Acori Tatarinowii Rhizoma (17 times, 11.03%). The medicinal property was mainly warm, the taste was mainly sweet, and the meridian was mainly liver meridian. Those with high confidence based on association rules were " Corni Fructus -Acori Tatarinowii Rhizoma" (0.90), " Corni Fructus -Rehmannize Radix et Praeparata" (0.90). Based on the complex network, it was concluded that the core drugs were 14 groups such as " Rehmannize Radix et Praeparata- Cistanches Herba- Corni Fructus". The new prescriptions extracted by entropy cluster analysis included 7 groups such as " Rehmannize Radix et Praeparata, Cistanches Herba, Corni Fructus and Asparagi Radix". Conclusion:The treatment of VD by TCM compounds with national patents is mainly based on tonifying deficiency, promoting blood circulation and removing blood stasis, eliminating phlegm and dampness, expelling wind and dredging collaterals, opening orifices and resuscitation, which can provide reference for clinical practice and new drug research and development.

To explore the distribution of TCM syndrome types of refractory tic disorder in children based on cluster analysis / 国际中医中药杂志

Objective:To explore the clinical characteristics and distribution of Tranditional Chinese Medicine (TCM) syndrome types of refractory tic disorders in children based on clustering analysis.Methods:A cross-sectional study. 183 children aged 3-18 years with refractory tic disorders from pediatric encephalopathy outpatient department of the First Teaching Hospital of Tianjin University of Traditional Chinese Medicine who met the inclusion criteria from October 2015 to January 2022 were recruited. Frequency descriptive analysis, systematic clustering analysis and principal component analysis were conducted by Microsoft Office Excel 2016 and IBM SPSS Statistics 26.0 to explore the clinical characteristics and syndrome distribution of the disease.Results:The TCM symptoms of 183 children with refractory tic disorders were clustered into 6 categories, and finally 5 types of syndrome were obtained, among which the syndrome of spleen deficiency and liver hyperactivity mixed with dampness accounted for the largest proportion (27.32%), followed by the syndrome of phlegm-fire disturbing spirit (21.31%), the syndrome of wind-heat invading lung (18.03%), the syndrome of phlegm-qi stagnation (17.49%), and the syndrome of dampness and yin deficiency (15.85%).Conclusion:Through the mining and analysis of the outpatient information of pediatric encephalopathy in our hospital, the common syndrome differentiation types of refractory tic disorder are obtained, which can provide a reference for the TCM syndrome differentiation types of refractory tic disorder in children.

Simultaneous determination of eleven volatile components in Cinnamomi Oleum by GC-MS / 中国中药杂志

A gas chromatography-triple quadrupole mass spectrometry(GC-MS) method was established for the simultaneous determination of eleven volatile components in Cinnamomi Oleum and the chemical pattern recognition was utilized to evaluate the quality of essential oil obtained from Cinnamomi Fructus medicinal materials in various habitats. The Cinnamomi Fructus medicinal materials were treated by water distillation, analyzed using GC-MS, and detected by selective ion monitoring(SIM), and the internal standards were used for quantification. The content results of Cinnamomi Oleum from various batches were analyzed by hierarchical clustering analysis(HCA), principal component analysis(PCA), and orthogonal partial least squares-discriminant analysis(OPLS-DA) for the statistic analysis. Eleven components showed good linear relationships within their respective concentration ranges(R~2>0.999 7), with average recoveries of 92.41%-102.1% and RSD of 1.2%-3.2%(n=6). The samples were classified into three categories by HCA and PCA, and 2-nonanone was screened as a marker of variability between batches in combination with OPLS-DA. This method is specific, sensitive, simple, and accurate, and the screened components can be utilized as a basis for the quality control of Cinnamomi Oleum.

Analysis of volatile constituents and chemical relationship of cultivated and wild Angelica dahurica / 南方医科大学学报

OBJECTIVE@#To determine the volatile constituents and their contents in the roots of 5 cultivated Angelica dahurica and one wild A. dahurica and analyze the chemical relationship among the plants of A. dahurica.@*METHODS@#The essential oil was extracted from the roots of 5 cultivated plants of Angelica dahurica and one wild A. dahurica by water steam distillation. Gas chromatography-mass spectrometry (GC-MS) was used to separate and identify all the volatile oil components in the extracts, and their relative contents were calculated with area normalization method. We also conducted clustering analysis and principal component analysis of the volatile oil components.@*RESULTS@#We identified a total of 81 compounds from the roots of the 6 plants of Angelica dahurica, including 27 in Chuanbaizhi (Angelica dahurica cv. 'Hangbaizhi'), 34 in Hangbaizhi (Angelica dahurica cv. 'Hangbaizhi'), 24 in Qibaizhi (Angelica dahurica cv. 'Qibaizhi'), 32 in Yubaizhi (Angelica dahurica cv.'Qibaizhi'), 28 in Bobahizhi (Angelica dahurica cv.'Qibaizhi'), and 34 in Xinganbaizhi (Angelica dahuirca). These compounds included, in the order of their relative contents (from high to low), alkanes, olefins, esters, organic acids and alcohols. Among the common components found in the roots of all the plants of A. dahurica, nonylcyclopropane, cyclododecane and hexadecanoic acid were identified as the volatile oil components that showed the highest relative contents. Clustering analysis of the volatile oil components showed that wild Angelica dahurica (Xing'anbaizhi) and the 5 cultivated Angelica dahurica (Chuanbaizhi, Hangbaizhi, Qibaizhi, Yubaizhi, Bobaizhi) could be divided into two groups, and the cultivated Angelica dahurica could be divided into two subgroups: Chuanbaizhi, Yubaizhi and Hangbahizhi were clustered in one subgroup, and Qibaizhi and Bobaizhi in another. The results of principal component analysis was consistent with those of clustering analysis.@*CONCLUSION@#The main volatile oil components and their contents vary among the 6 plants of A. dahurica. Nonylcyclopropane, cyclododecane and hexadecanoic acid are the most abundant volatile oil components in all the plants of A. dahurica, which can be divided into two clusters.

Spatio-temporal clustering analysis of pulmonary tuberculosis in Ningbo City from 2015 to 2020 / 预防医学

Objective@#To investigate the spatio-temporal distribution characteristics of pulmonary tuberculosis in Ningbo City from 2015 to 2020, so as to provide insights into tuberculosis control.@*Methods@#The data of pulmonary tuberculosis cases in Ningbo City from 2015 to 2020 were collected from Tuberculosis Management Information System of China Disease Control and Prevention Information System, and were linked with the geographic information database of Ningbo Planning Design and Research Institute. The software SaTScan version 10.3 was employed for monthly spatio-temporal scanning and cluster analysis of reported pulmonary tuberculosis cases, populations, longitude and latitude in 153 townships of Ningbo City from 2015 to 2020. @*Results@#There were one class Ⅰ cluster and two class Ⅱ clusters of pulmonary tuberculosis cases in Ningbo City from 2015 to 2020, and the class Ⅰ cluster was centered in Song'ao Township and covered 37 townships, with aggregation time from January 1, 2015 to December 31, 2017, while class Ⅱ clusters were covered 38 tounships which were centered in Sanqishi Township of Yuyao County, and one township in Hangzhou Bay New Town. The aggregation time was from January to June in 2015 and 2016, from March to August between 2017 and 2019 and between May and October, 2020. The overall reported incidence of pulmonary tuberculosis appeared a tendency towards a decline in each township of Ningbo City from 2015 to 2020; however, the incidence of pulmonary tuberculosis was more than 80 per 100 thousand in Fuming Township of Yinzhou District and Juexi Township of Xiangshan County in 2020.@*Conclusions@#There were significant spatio-temporal clustering characteristics of pulmonary tuberculosis incidence at a township level in Ningbo City from 2015 to 2020, and the clusters were mainly concentrated in the central and eastern Ningbo City. The reported incidence of pulmonary tuberculosis is high in Fuming Township of Yinzhou District and Juexi Township of Xiangshan County, where targeted regional tuberculosis control strategies should be implemented.

Physical and pulmonary capacities of individuals with severe coronavirus disease after hospital discharge: A preliminary cross-sectional study based on cluster analysis

OBJECTIVE: This study aimed to analyze the physical and pulmonary capacities of hospitalized patients with severe coronavirus disease and its correlation with the time of hospitalization and complications involved. METHODS: A total of 54 patients, aged ≥18 years of both sexes, were evaluated 2-4 months after hospital discharge in São Paulo, Brazil. The physical characteristics analyzed were muscle strength, balance, flexibility, and pulmonary function. The K-means cluster algorithm was used to identify patients with similar physical and pulmonary capacities, related to the time of hospitalization. RESULTS: Two clusters were derived using the K-means algorithm. Patients allocated in cluster 1 had fewer days of hospitalization, intensive care, and intubation than those in cluster 2, which reflected a better physical performance, strength, balance, and pulmonary condition, even 2-4 months after discharge. Days of hospitalization were inversely related to muscle strength, physical performance, and lung function: hand grip D (r=−0.28, p=0.04), Short Physical Performance Battery score (r=−0.28, p=0.03), and forced vital capacity (r=−0.29, p=0.03). CONCLUSION: Patients with a longer hospitalization time and complications progressed with greater loss of physical and pulmonary capacities.

Analysis and evaluation of volatile oil content in leaves of different Artemisia argyi germplasm resources / 中国中药杂志

Volatile oil is the main effective component and an important quality indicator of Artemisia argyi leaves. In this study, 100 germplasm resources of A. argyi were collected from all the related habitats in China. The total volatile oils in A. argyi leaves were extracted by steam distillation and the content was determined by GC-MS. The result demonstrated that the content of total volatile oils was in the range of 0.53%-2.55%, with the average of 1.43%. A total of 39 chemical constituents were identified from the volatile oils, including 13 shared by the 100 germplasm resources. Clustering analysis of the 39 constituents showed that the 100 A. argyi samples were categorized into groups Ⅰ(9), Ⅱ(2), Ⅲ(66) and Ⅳ(23), and group Ⅲ had the most volatile medicinal components, with the highest content. Five principal components(PCs) were extracted from 13 shared constituents, which explained 73.454% of the total variance. PC1, PC2, and PC3 mainly reflected the pharmacological activity of volatile oils and the rest two the aroma information. The volatile oils identified in this study lay a foundation for variety breeding of and rational utilization of volatile oils in A. argyi leaves.

Characteristics analysis for Chinese patent medicine containing Jujubea Fructus based on data mining / 中国中药杂志

Chinese patent medicine prescriptions containing Jujubea Fructus in 2015 edition of Chinese Pharmacopoeia and the Composition Principles of Chinese Patent Drug were collected, and the characteristics of Chinese patent medicine containing Jujubea Fructus were analyzed by using data mining technology. Statistical software Excel 2019, Clementine 12.0 and SPSS 21.0 were used to conduct statistical analysis of conforming Chinese patent medicine prescriptions by means of frequency statistics, association rule analysis and cluster analysis. Finally, a total of 185 Chinese patent medicine prescriptions containing Jujubea Fructus were included in this study, involving 402 Chinese medicines and 28 kinds of high frequency Chinese medicines, with Jujubea Fructus, Poria, Zingiberis Rhizoma Recens, Glycyrrhizae Radix et Rhizoma, and Codonopsis Radix as the top five. The deficiency-nourishing drugs were in the most common efficacy classification, mainly sweet, bitter and pungent, with most medicine properties of warm and gentle, main meridians of spleen lung and stomach, dosage forms of pills, granules and tablets, and main indications of splenic diseases. Fifteen drug combinations were obtained in association rule analysis. Eleven drug combinations were obtained by association rule analysis of Chinese patent medicine containing Jujubea Fructus in the treatment of splenic diseases, and the drugs were divided into two categories by cluster analysis. According to the above analysis, it is found that the Chinese patent medicine prescriptions containing Jujubea Fructus are mainly composed of deficiency-nourishing drugs, mostly compatible with drugs of sweet, bitter and pungent flavors, warm and gentle properties, and spleen, lung, and stomach meridians in the treatment of splenic diseases, with Sijunzi Decoction as the main drug. This study provides guidance for modern clinical application and development of Jujubea Fructus.

Similar change laws of content of nine components in four processing methods of Polygoni Multiflori Radix Praeparata / 中国中药杂志

To standardize the processing technology of Polygoni Multiflori Radix Praeparata and stabilize its quality, the similar change laws of Polygoni Multiflori Radix Praeparata with different processing methods and time were analyzed. The processing time of Polygoni Multiflori Radix Praeparata was studied at 24, 32, 40, 48 h, and 4 different processing methods were studied, namely stewed with black bean sauce, steamed, steamed with black bean sauce, and steamed with black bean sauce and rice wine. The content of stilbene glycosides and anthraquinones were determined by HPLC-DAD method. UV method was used to determine the content of polysaccharides, and HPLC-ELSD method was used to determine the monosaccharides and oligosaccharides. The comparative chart of content determination, cluster analysis and entropy weight TOPSIS model was used to find the similar change laws and time interval of different processing methods of Polygoni Multiflori Radix Praeparata. The results demonstrated that around 32 h, the content of nine components in Polygoni Multiflori Radix Praeparata with different processing methods had similar change laws, and the decoction pieces had a high quality, indicating that the four processing methods of Polygoni Multiflori Radix Praeparata are likely to be used as one type of decoction piece with the same name.

Analysis and Evaluation on Leaf Quality of Different Artemisia argyi Germplasm Resources / 中国实验方剂学杂志

Objective:To analyze the quality differences among different germplasm resources of <italic>Artemisia argyi </italic>and to screen out the specific germplasm by comprehensively evaluating 14 quality traits of 100 germplasm resources. Method:Germplasm resources of <italic>A. argyi </italic>were collected from all over the country. The output rate of moxa and the content of total volatile oil in <italic>A. argyi</italic> leaves were determined，and the contents of 12 flavonoids and phenolic acids in<italic> A. argyi </italic>leaves were detected by ultra performance liquid chromatography（UPLC）. The correlation analysis，principal component analysis and clustering analysis were used to comprehensively evaluate the quality of <italic>A. argyi</italic>. Result:There was rich genetic diversity of<italic> A. argyi</italic> germplasm resources，and the variation coefficients of 14 quality traits ranged from 25.67% to 127.34%，among which the coefficient of variation of chlorogenic acid，cryptochlorogenic acid，isoxiafotaside，isochlorogenic acid B and isochlorogenic acid A was more than 70%，with high variation. The output rate of moxa was negatively correlated with 9 quality traits，while the content of total volatile oil was positively correlated with 10 quality traits，and most of the flavonoids and phenolic acids had synergistic effects. 12 flavonoids and phenolic acids were analyzed by principal component analysis，and 4 principal components could be extracted. The highest contents of flavonoids and phenolic acids were found in S98（Hangzhou，Zhejiang province），S84（Longhui county，Shaoyang city，Hunan province），S66（Futian river town，Macheng city，Hubei province），S35 （Balihu town，Qichun county，Huanggang city，Hubei province），and S15 （Fudao town，Tangyin county，Anyang city，Henan province）. The systematic clustering analysis showed that the 100 germplasm could be divided into four groups when the euclidean distance was 8.0，with 90，3，3，3 and 4 accessions in group Ⅰ，Ⅱ，Ⅲ and Ⅳ，respectively. The germplasm resources in group Ⅱ contained the highest content of flavonoids and phenolic acids，the group Ⅲ contained the highest content of total volatile oil and the group Ⅳ contained the highest output rate of moxa. Conclusion:The leaf quality of different <italic>A. argyi </italic>germplasms is different. This study can provide the basis for the quality evaluation and variety breeding of <italic>A. argyi</italic> germplasm resources.

Dynamic changes of total acid and bacterial communities during the traditional fermentation of Hong Qu glutinous rice wine

Background: Hong Qu glutinous rice wine (HQGRW) is brewed under non-aseptic fermentation conditions, so it usually has a relatively high total acid content. The aim of this study was to investigate the dynamics of the bacterial communities and total acid during the fermentation of HQGRW and elucidate the correlation between total acid and bacterial communities. Results: The results showed that the period of rapid acid increase during fermentation occurred at the early stage of fermentation. There was a negative response between total acid increase and the rate of increase in alcohol during the early fermentation stage. Bacterial community analysis using high-throughput sequencing technology was found that the dominant bacterial communities changed during the traditional fermentation of HQGRW. Both principal component analysis (PCA) and hierarchical clustering analysis revealed that there was a great difference between the bacterial communities of Hong Qu starter and those identified during the fermentation process. Furthermore, the key bacteria likely to be associated with total acid were identified by Spearman's correlation analysis. Lactobacillus, unclassified Lactobacillaceae, and Pediococcus were found, which can make significant contributions to the total acid development (| r| N 0.6 with FDR adjusted P b 0.05), establishing that these bacteria can associate closely with the total acid of rice wine. Conclusions: This was the first study to investigate the correlation between bacterial communities and total acid during the fermentation of HQGRW. These findings may be helpful in the development of a set of fermentation techniques for controlling total acid.

Real-time cell analysis combined with pattern recognition to evaluate anaphylaxis of Zushima Injection / 中国中药杂志

This paper was aimed to establish a new method for evaluating the anaphylactoid reaction of 15 batches of Zushima Injection from different manufacturers in vitro. Basophilic leukemia cell line RBL-2 H3 cells were cultured in vitro and Compound 48/80 was selected as positive drug. Real-time cell analysis(RTCA) system was used to detect the changes of cell index(CI) value after drug intervention. The degranulation of RBL-2 H3 cells was verified with the toluidine blue staining technology by observing the changes of cell morphology and skeleton. Clustering method was used to analyze the CI values of 15 batches of Zushima Injection on RBL-2 H3 cells. The results showed Compound 48/80(20 μg·mL~(-1)) significantly changed the cell morphology and cytoskeleton, with obvious degranulation. After adding Compound 48/80, CI value decreased rapidly within 30 minutes, then decreased slowly, suggesting that RTCA system can be used for rapid and sensitive evaluation of RBL-2 H3 cell degranulation. The results of cluster analysis showed that Zushima Injection from different manufacturers had different effects on RBL-2 H3 cells. S1-S8 and Compound 48/80 groups were grouped into one cluster, which suggesting that the sample might have potential clinical anaphylaxis. S9-S15 and the normal control group were grouped into one cluster, suggesting there was no anaphylactoid reaction in the sample. In this study, a rapid in vitro anaphylaxis evaluation technique based on RTCA system and pattern recognition method was established, which can be used for rapid in vitro evaluation of anaphylaxis for traditional Chinese medicine injection.

Analysis on formula of Mongolian medicine for prevention of COVID-19 / 中国中药杂志

The epidemic situation of coronavirus disease 2019(COVID-19) is developing rapidly in the world, and the influence is serious. In this study, the prescription of Mongolian medicine to prevent new type of COVID-19 was investigated. Based on the second edition and the third edition of COVID-19 Mongolian Medicine Prevention and Treatment Guidance Program issued by the Inner Mongolia Autonomous Region Health Commission, using Excel 2007, SPSS Modeler 18, SPSS Statistics 25, Cytoscape 3.7.1 statistical software as a tool, the association rules analysis and cluster analysis of Mongolian medicine included in the standard were carried out. Among the 45 prophylactic prescriptions included in the standard, a total of 34 high-frequency drugs using frequency ≥5 were used, of which Carthami Flos(21 times, 4.46%), Chebulae Fructus(20 times, 4.26%), Moschus(13 times, 2.77%), Myristicae Semen(12 times, 2.55%), Santali Albi Lignum(12 times, 2.55%), and Bovis Calculus(12 times, 2.55%) were the most common. The main drugs for the prevention of COVID-19 were Liang(13 times, 38.23%), Wen(9 times, 26.47%), the flavor was Ku(20 times, 34.48%), Xin(13 times, 22.41%), Gan(11 times, 18.97%), the most used drugs treating hot evil(99 times, 32.46%), treatment of "Heyi" drugs(51 times, 16.72%), treatment of "Badagan" drugs(40 times, 13.11%), treatment of "sticky" drugs(37 times, 12.13%), and a cough, eliminating phlegm and antiasthmatic(31 times, 10.16%), the association rule analysis found that the highest association intensity of the drug pair combination of 11. Clustering analysis using the cluster analysis of inter-group join method found a total of 8 categories. In this study, 45 prescriptions of Mongolian medicine for the prevention of COVID-19 were collec-ted and further analyzed, hoping to provide new ideas for clinical diagnosis and treatment.

Spatiotemporal scan clustering analysis on Scarlet fever in Jinan, 2014-2019 / 公共卫生与预防医学

Objective To analyze the epidemiological characteristics and spatiotemporal clustering of scarlet fever in Jinan, from 2014-2019, and to provide a basis for scarlet fever prevention and control. Methods The case data of scarlet fever in Jinan during 2013-2019 were extracted from the Chinese National Notifiable Infectious Disease Reporting System. Descriptive epidemiology and spatiotemporal rearrangement scanning methods were used to analyze the epidemiological characteristics and spatiotemporal distribution of scarlet fever. The RR values of scarlet fever in different towns (streets) were calculated, and the contour map of RR value was drawn. Results A total of 9 715 cases of scarlet fever were reported in Jinan from 2014 to 2019. During this period, the number of cases and the incidence rate showed a gradual increase, with two seasonal peaks in the winter and spring each year. Spatiotemporal clustering analysis detected a total of eight spatiotemporal aggregation areas, and the strongest one was in Licheng and Lixia Districts, from March 2017 to December 2019 (RR=3.45, LLR=577.88, P<0.001). The relative risk maps in each year from 2014 to 2019 were similar, and the areas with the highest risk were located in the central area of Jinan. Conclusion From 2014 to 2019, scarlet fever is highly prevalent in the central area of Jinan, with obvious spatial and temporal clustering. There are clustering areas in the central, southwest and eastern areas of Jinan, and there was a tendency for the disease to spread to Zhangqiu in the east and Pingyin in the southwest.

Quality Comparison of Jinyinhua Formula Granules from Different Enterprises Using HPLC Fingerprint / 中国药学杂志

OBJECTIVE: To establish the HPLC fingerprint of Jinyinhua formula granules (JYHFG), and compare the qualities of the products from nine enterprises by chemical metrology analysis. METHODS: HPLC was used to establish fingerprint at 254 nm. Twenty-nine batches of products from nine enterprises were determined, and the quality of JYHFG of different batches was evaluated through similarity evaluation, clustering analysis (HCA) and principal component analysis (PCA). RESULTS: Seventeen common peaks were confirmed in the HPLC fingerprint of 29 batches of JYHFG, and 10 of them were identified. The similarity of JYHFG was 0.84-0.99, and the samples could be grouped into one category according to enterprise, among which the characteristic peak of chlorogenic acid had the greatest influence on the fingerprint. CONCLUSION: The establishment of HPLC fingerprint and the identification of chemical pattern provide a more comprehensive reference for the quality control of JYHFG. It provides a reliable method for scientific evaluation and effective quality control.

Analysis on herbal medicines utilized for treatment of COVID-19

As coronavirus disease 2019 (COVID-19) pandemic poses a substantial global public health threat, traditional Chinese medicine (TCM) was used in 91.50% of the COVID-19 cases in China, showing encouraging results in improving symptom management and reducing the deterioration, mortality, and recurrence rates. A total of 166 modified herbal formulae consisting of 179 single herbal medicines were collected for treating COVID-19 in China. Glycyrrhizae Radix et Rhizome, Scutellariae Radix, and Armeniacae Semen Amarum are the most frequently utilized in clinics, most of which are antipyretic (47, 26.26%), expectorant and cough-suppressing (22, 12.29%), and dampness-resolving (21, 11.73%) from traditional descriptions. A total of 1212 chemical components containing -sitosterol, stigmasterol, and quercetin were primarily selected. Additionally, using complex system entropy and unsupervised hierarchical clustering, 8 core herbal combinations and 10 new formulae emerged as potentially useful candidates for COVID-19. Finally, following scaffold analysis, self-organizing mapping (SOM) and cluster analysis, 12 clusters of molecules yielded 8 pharmacophore families of structures that were further screened as pharmacological targets in human metabolic pathways for inhibiting coronavirus. This article aims to make more easily accessible and share historical herbal knowledge used in contemporary treatments in a modern manner to assist researchers contain the global spread of COVID-19.

Hplc fingerprint and chemical pattern recognition of valeriana jatamansi / 中国药学杂志

OBJECTIVE: To establish the HPLC fingerprint of Valeriana jatamansi and provide a reference for its effective quality control. METHODS: The HPLC-DAD analysis was performed on Diamonsil C18 column (4.6 mm×250 mm, 5 μm), with acetonitrile (A)-0.1% formic acid (B) solution as the mobile phase for gradient elution, the detection wavelength was set at 327 nm (0-33 min) and 256 nm (33-90 min), the flow rate was 1.0 mL•min-1, and the column temperature was maintained at 30 ℃. The fingerprints of 25 batches of Valeriana jatamansi samples were analyzed by similarity analysis, hierarchical clustering analysis (HCA), principal component analysis (PCA), and orthogonal partial least squares discriminant analysis (PLS-DA). RESULTS: The fingerprints of 25 batches of Valeriana jatamansi samples were established. There were 36 common peaks in the fingerprints and nine common peaks were identified by reference substances. The fingerprints similarity of 18 batches of samples was over 0.9, and the samples were classified into two groups. Six components were the main markers that cause differences in different batches of samples, including valepotriate, acevaltrate, isochlorogenic acid A, and some others. CONCLUSION: HPLC fingerprint combined with recognition of chemical pattern can reflect the intrinsic quality of Valeriana jatamansi, which may provide reference for the quality control and evaluation of Valeriana jatamansi.

Study on quality grade evaluation of Andrographis Herba based on principal component clustering and PLS regression / 中草药

Objective: To combine macroscopical characteristic indices and chemical indices of Andrographis Herba to evaluate its quality grade. Methods: Both macroscopical characteristic indices and chemical indices (the content of four active diterpenoids and the content of ethanol-soluble extractives) of different batches of Andrographis Herba were determined. The macroscopical characteristic indices were encoded using the method of numerical taxonomy, and the content of four active diterpenoids were determined by HPLC. To screen out the appropriate indices for classification, the correlational analyses were conducted between encoded macroscopical characteristic indices and chemical indices. The quality grade was made by principal component clustering analysis according these evaluation indices, and then was analyzed through partial least squares discriminant analysis (PLS-DA). Furthermore, a partial least squares (PLS) regression was constructed for the quality grade prediction of Andrographis Herba. Results: It showed that the samples could be divided into three grades according to the principal component clustering analysis, and was reasonable evaluating by PLS-DA. The PLS regression model for quality grade of Andrographis Herba was constructed as follows: grade Y=3.761-0.020×the leaf content-0.388×the content of andrographolide-1.117×the content of neoandrographolide-0.274×the content of deoxyandrographolide-0.287×the content of 14-deoxy-11,12-didehydro-andrographolide-0.302×the content of four active diterpenoids-0.104×the content of ethanol-soluble extractives-0.015×the color of stem-0.008 4×the color of leaf-0.003×the diameter of base part of stem+0.020×the number of branch+0.137×the diameter of the upper stem+0.011×plant height, if Y=0.7-1.3, the predicted quality was grade A, if Y=1.7-2.3, then B grade, and if Y=2.7-3.3, C grade or qualified product. Conclusion: The model of grade evaluation we constructed using principal component clustering analysis combing with PLS regression analysis performed well, which was applicable in evaluating the quality grade of Andrographis Herba and other traditional Chinese medicines. It also provided a new strategy for study on grade standards of traditional Chinese medicines.

Time series analysis and spatial autocorrelation analysis of dengue data in China from 2011 to 2018 / 中华疾病控制杂志

Objective To understand the spatial and temporal distribution characteristics of dengue fever in China from 2011 to 2018, and predict the incidence of dengue fever in China in 2019. Methods Based on the case data of dengue fever in China from 2011 to 2018 in the Chinese Disease Prevention and Control Information System, the trend of dengue fever was described and predicted by using the autoregressive integrated moving average model (ARIMA) with R 3.6.0 software. Based on the data of the incidence of dengue fever in the country, provinces and cities from 2011 to 2016 provided by the national scientific data sharing platform for population and health, global and local spatial autocorrelation analysis was performed using GeoDa 1.12 software to determine the dengue fever hotspots. Results The incidence of dengue fever was 14 302 in 2019, showing no disease outbreaks. The incidence of dengue fever in 2012(Moran’s I=-0.088, P=0.037), 2013(Moran’s I=-0.121, P=0.040) and 2014(Moran’s I=-0.076, P=0.045) showed a global spatial negatively correlaton. In 2016(Moran’s I=0.078, P=0.048), the incidence of dengue fever was positively correlated with global space. The results of local autocorrelation analysis showed that the high incidence of dengue fever was mainly in the southeast coastal areas of China. Conclusions In 2019, the epidemic of dengue fever in China showed no obvious fluctuation trend, and the epidemic situation showed spatial clustering distribution.