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An ultra-robust fingerprinting method for quality assessment of traditional Chinese medicine using multiple reaction monitoring mass spectrometry

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Journal of Pharmaceutical Analysis 2021年第1期11卷 88-95页

作者： Zhenhao Li Xiaohui Zhang Jie Liao Xiaohui Fan Yiyu Cheng Pharmaceutical informatics institute College of Pharmaceutical SciencesZhejiang UniversityHangzhou310058China

Chromatographic fingerprinting has been perceived as an essential tool for assessing quality and chemical equivalence of traditional Chinese ***,this pattern-oriented approach still has some weak points in terms of chemical coverage and *** this work,we proposed a multiple reaction monitoring(MRM)-based fingerprinting method in which approximately 100 constituents were simultaneously detected for quality *** derivative MRM approach was employed to rapidly design MRM transitions independent of chemical standards,based on which the large-scale fingerprinting method was efficiently *** approach was exemplified on QiShenYiQi Pill(QSYQ),a traditional Chinese medicine-derived drug product,and its robustness was systematically evaluated by four indices:clustering analysis by principal component analysis,similarity analysis by the congruence coefficient,the number of separated peaks,and the peak area proportion of separated *** with conventional ultraviolet-based fingerprints,the MRM fingerprints provided not only better discriminatory capacity for the tested normal/abnormal QSYQ samples,but also higher robustness under different chromatographic conditions(i.e.,flow rate,apparent pH,column temperature,and column).The result also showed for such large-scale fingerprints including a large number of peaks,the angle cosine measure after min-max normalization was more suitable for setting a decision criterion than the unnormalized *** proof-of-concept application gives evidence that combining MRM technique with proper similarity analysis metrices can provide a highly sensitive,robust and comprehensive analytical approach for quality assessment of traditional Chinese medicine.

关键词： Multiple reaction monitoring Mass spectrometry-based fingerprinting Quality assessment Traditional Chinese medicine Robustness evaluation

Characterization of herbal powder blends homogeneity using near-infrared spectroscopy

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Journal of Innovative Optical Health Sciences 2014年第6期7卷 33-39页

作者： Wenlong Li Haibin Qu Pharmaceutical informatics institute Zhejiang University Hangzhou 310058P.R.China

Homogeneity of powder blend is essential to obtain uniform contents for the tablets and ***-infrared(NIR)spectroscopy with fiber-optic probe was used as an on-line technique for monitoring the homogeneity of pharmaceutical blend during the blending process instead of the traditional techniques,such as high performance liquid chromatograph(HPLC)*** this paper NIRS with a SabIR difuse reflectance fiber optic probe was used to monitor the blending process of coptis powder and lactose(excipient)with different contents,and further qualitative methods,like similarity,moving block of standard deviation and mean square were used for calculation purposes with the ollected spectra after the pretreatment of multiplicative signal correction(MSC)and second *** spectrum was used for the wavelength *** different coptis were blended with lactose separately to validate the proposed method,and the blending process of "liu wei di huang"pill was also simulated in bottles to verify this method on multiple herbal *** overall results suggest that NIRS is a simple,efective and noninvasive technique can be sucssfuly applied to the determination of homogeneity in the herbal blend.

关键词： Near infrared spect roscopy traditional Chinese medicine powder blend homnogeneity

Liver stiffness as a predictor of hepatocellular carcinoma behavior in patients with hepatitis C related liver cirrhosis

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Hepatobiliary & Pancreatic Diseases International 2020年第1期19卷 22-28页

作者： Sameh A Lashen Mohamed M Elshafei Fahmy H Hablass Eman A Alsayed Asmaa A Hassan Department of Internal Medicine Faculty of MedicineUniversity of AlexandriaAlexandriaEgypt Department of Radiology Faculty of MedicineUniversity of AlexandriaAlexandriaEgypt Department of Biomedical informatics and medical Statistics Medical Research InstituteUniversity of AlexandriaAlexandriaEgypt

Background: Risk strati cation and prognostication of hepatocellular carcinoma (HCC) help to improve patient outcome. Herein we investigated the role of liver stiffness measurement (LSM) in the prediction of HCC behavior. Methods: Totally 121 na ve patients with HCC were included. HCC radiological evaluation and staging were done. LSM was measured using virtual touch quanti cation. Patients were divided into early to intermediate HCC (BCLC-0, A and B) and late HCC (BCLCC and D). HCC was treated according to the BCLC stage. HCC recurrence-free interval was estimated. Results: The mean LSM inside the tumor was signi cantly lower than the peri-tumoral area and the cirrhotic non-cancerous liver parts (P<0.001). In late HCCs stage, the mean LSM inside the tumor and in the peri-tumoral tissue was lower than the corresponding values in the early to intermediate HCCs stage (P<0.001). LSM inside the tumor and in the peri-tumoral tissue negatively correlated with serum AFP, tumor vascular invasion, and stage (P<0.05). The recurrence-free interval was directly correlated to LSM inside the tumor and inversely to LSM in cirrhotic non tumorous liver part. Kaplan-Meier analysis showed that the recurrence-free interval was signi cantly longer in patients with LSM inside the tumor of ≥1.25m/s compared to those with LSM inside the tumor of<1.25m/s. Conclusions: LSM can serve as a potential non-invasive predictor for HCC clinical behavior and the recurrence-free interval following loco-regional treatments.

关键词： Fibrosis Hepatitis C Hepatocellular carcinoma Point shear wave Liver cirrhosis

Identification and determination of major constituents in a traditional Chinese medicine compound recipe Xiongdankaiming tablet using HPLC-PDA/ESI-MS^n and HPLC-UV/ELSD

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Journal of Zhejiang University-Science B(Biomedicine & Biotechnology) 2013年第7期14卷 604-614页

作者： Shu-fang WANG Jing LENG Yi-min XU Mei-ling FENG institute of Pharmaceutical informatics Zhejiang University School of Pharmaceutical Sciences Zhejiang University of Technology

Xiongdankaiming tablet (XDKMT), a well-known compound in traditional Chinese medicine, is widely used for the treatment of acute iridocyclitis and primary open-angle glaucoma. In this paper, accurate and reliable methods were developed for the identification of 20 constituents using high-performance liquid chromatography with photodiode array and electron spray ionization-mass spectrometry (HPLC-PDA/ESI-MSn ), and determination of nine of the constituents (chlorogenic acid, gentiopicroside, isochlorogenic acid B, diosmetin-7-O-β-D-glucopyranoside, apigenin, diosmetin, tauroursodeoxycholic acid, acacetin, and taurochenodeoxycholic acid) was developed using HPLC with ultraviolet absorption detector and evaporative light scattering detector (HPLC-UV/ELSD) for the first time. The best results were obtained on a Zorbax SB-C18 column with gradient elution using water (0.1% formic acid) (A) and methanol (0.1% formic acid) (B) at a flow rate of 0.7 ml/min. Tauroursodeoxycholic acid and taurochenodeoxycholic acid, owing to their low UV absorption, were detected by ELSD. The other seven compounds were analyzed by HPLC-UV with variable wavelengths. The calibration curves of all nine constituents showed good linear regression (R2 >0.9996) within the linearity ranges. The limits of detection and quantification were in the ranges of 0.0460-9.90 μg/ml and 0.115-24.8 μg/ml, respectively. The accuracy, in terms of recovery, varied from 95.3% to 104.9% with relative standard deviations (RSDs) less than 4.4%. Precision (with the intra- and inter-day variations less than 4.4%) was also suitable for its intended use. The developed method was successfully applied for the analysis of major components in XDKMT, which provides an appropriate method for the quality control of XDKMT.

关键词： Traditional Chinese medicine (TCM) compound recipe Xiongdankaiming tablet HPLC-UV/ELSD HPLC-MS Quality control

Multi-View & Transfer Learning for Epilepsy Recognition Based on EEG Signals

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Computers, Materials & Continua 2023年第6期75卷 4843-4866页

作者： Jiali Wang Bing Li Chengyu Qiu Xinyun Zhang Yuting Cheng Peihua Wang Ta Zhou Hong Ge Yuanpeng Zhang Jing Cai Department of medical informatics Nantong UniversityNantong226001China The Affiliated Cancer Hospital of Zhengzhou University&Henan Cancer Hospital Zhengzhou450008China Department of Health Technology and informatics Shenzhen Research InstituteThe Hong Kong Polytechnic UniversityShenzhen518057China

Epilepsy is a central nervous system disorder in which brain activity becomes ***(EEG)signals,as recordings of brain activity,have been widely used for epilepsy *** study epilep-tic EEG signals and develop artificial intelligence(AI)-assist recognition,a multi-view transfer learning(MVTL-LSR)algorithm based on least squares regression is proposed in this *** with most existing multi-view transfer learning algorithms,MVTL-LSR has two merits:(1)Since traditional transfer learning algorithms leverage knowledge from different sources,which poses a significant risk to data ***,we develop a knowledge transfer mechanism that can protect the security of source domain data while guaranteeing performance.(2)When utilizing multi-view data,we embed view weighting and manifold regularization into the transfer framework to measure the views’strengths and weaknesses and improve generalization *** the experimental studies,12 different simulated multi-view&transfer scenarios are constructed from epileptic EEG signals licensed and provided by the Uni-versity of Bonn,*** experimental results show that MVTL-LSR outperforms *** source code will be available on https://***/didid5/MVTL-LSR.

关键词： Multi-view learning transfer learning least squares regression epilepsy EEG signals

The role of the DLPFC in inductive reasoning of MCI patients and normal agings:An fMRI study

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Science China(Life Sciences) 2009年第8期52卷 789-795页

作者： YANG YanHui1,3,LIANG PeiPeng2,3,LU ShengFu2,3,LI KunCheng1,3 & ZHONG Ning2,3,4 1 Xuanwu Hospital,Capital medical University,Beijing 100053,China 2 The International WIC institute,Beijing University of Technology,Beijing 100124,China 3 Beijing Municipal Lab of Brain informatics,Beijing 100124,China 4 Department of Life Science and informatics,Maebashi institute of Technology,Maebashi 371-0816,Japan Xuanwu Hospital Capital Medical University Beijing 100053 China The International WIC institute Beijing University of Technology Beijing 100124 China Beijing Municipal Lab of Brain informatics Beijing 100124 China Department of Life Science and informatics Maebashi Institute of Technology Maebashi 371-0816 Japan

Previous studies of young people have revealed that the left dorsolateral prefrontal cortex(DLPFC) plays an important role in inductive *** fMRI experiment was performed in this study to examine whether the left DLPFC was involved in inductive reasoning of MCI patients and normal agings,and whether the activation pattern of this region was different between MCI patients and normal *** fMRI results indicated that MCI patients had no difference from normal agings in behavior performance(reaction time and accuracy) and the activation pattern of ***,the BOLD response of the DLPFC region for MCI patients was weaker than that for normal agings,and the functional connectivity between the bilateral DLPFC regions for MCI patients was significantly higher than for normal *** together,these results indicated that DLPFC plays an important role in inductive reasoning of agings,and the functional abnormity of DLPFC may be an earlier marker of MCI before structural alterations.

关键词： mild cognitive impairment functional MRI inductive reasoning

Determination of inhibitory activity of Salvia miltiorrhiza extracts on xanthine oxidase with a paper-based analytical device

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Journal of Pharmaceutical Analysis 2021年第5期11卷 603-610页

作者： Xingchu Gong Jingyuan Shao Shangxin Guo Jingjing Pan Xiaohui Fan Pharmaceutical informatics institute College of Pharmaceutical SciencesZhejiang UniversityHangzhou310058China

A novel paper-based analytical device(PAD)was prepared and applied to determine the xanthine oxidase(XOD)inhibitory activity of Salvia miltiorrhiza extracts(SME).First,polycaprolactone was 3D printed on filter paper and heated to form hydrophobic *** the modified paper was cut according to the specific *** reagents including XOD for the colorimetric assay were immobilized on two separate pieces of *** simply adding phosphate buffer,the reaction was performed on the double-layer *** results were obtained by analyzing the color intensity with the specialized device system(consisting of a smartphone,a detection box and sandwich plates).The 3Dprinted detection box was small,with a size of 9.0 cm×7.0 cm×11.5 *** component G performed well in terms of linearity and detection limits and thus was identified as the *** reaction conditions were optimized using a definitive screening ***,a 10%glycerol solution was found to be a suitable *** the stabilizer was added,the activity of XOD could be maintained for at least 15 days under 4℃ or-20℃ storage *** inhibitory activity of SME was investigated and compared to that of *** results obtained with the PAD showed agreement with those obtained with the microplate *** conclusion,the proposed PAD method is simple,accurate and has a potential for point-of-care *** also holds promise for use in rapid quality testing of medicinal herbs,intermediate products,and preparations of traditional Chinese medicines.

关键词： Paper-based analytical device(PAD) Point-of-care testing Xanthine oxidase Salvia miltiorrhiza extract 3D printing

Genetic association analysis of CLEC5A and CLEC7A gene single-nucleotide polymorphisms and Crohn’s disease

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World Journal of Gastroenterology 2020年第18期26卷 2194-2202页

作者： Nagi Elleisy Sarah Rohde Astrid Huth Nicole Gittel Anne Glass Steffen Moller Georg Lamprecht Holger Schaffler Robert Jaster Department of Medicine Ⅱ Division of GastroenterologyRostock University Medical CenterRostock 18057Germany institute for Biostatistics and informatics in Medicine and Ageing Research Rostock 18057Germany

BACKGROUND Crohn’s disease(CD)is characterized by a multifactorial etiology and a significant impact of genetic *** NOD2 mutations represent well established risk factors of CD,the role of other genes is incompletely *** To challenge the hypothesis that single nucleotide polymorphisms(SNPs)in the genes CLEC5 A and CLEC7 A,two members of the C-type lectin domain family of pattern recognition receptors,may be associated with *** SNPs in CLEC5 A,CLEC7 A and the known CD risk gene NOD2 were studied using real time PCR-based SNP ***,DNA samples from 175 patients and 157 healthy donors were *** data were correlated with clinical characteristics of the patients and the results of gene expression data *** In accordance with previous studies,rs2066844 and rs2066847 in NOD2 were found to be significantly associated with CD(allelic P values=0.0368 and 0.0474,respectively).Intriguingly,for genotype AA of rs1285933 in CLEC5 A,a potential association with CD(recessive P=0.0523;odds ratio=1.90)was *** were no associations between CD and SNPs rs2078178 and rs16910631 in CLEC7 *** of rs1285933 had no impact on CLEC5 A gene *** contrast,genotype-dependent differences of CXCL5 expression in peripheral blood mononuclear cells were *** is no statistical interactionbetween the tested SNPs of NOD2 and CLEC5 A,suggesting of a novel pathway contributing to the *** Our data encourage enlarged follow-up studies to further address an association of SNP rs1285933 in CLEC5 A with *** C-type lectin domain family member also deserves attention regarding a potential role in the pathophysiology of CD.

关键词： Crohn’s disease Single nucleotide polymorphisms NOD2 CLEC5A Gene expression CXCL5

Opportunities and challenges of clinical trials in cardiology using composite primary endpoints

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World Journal of Cardiology 2015年第1期7卷 1-5页

作者： Geraldine Rauch Bernhard Rauch Svenja Schüler Meinhard Kieser institute of medical biometry and informatics University of HeidelbergD-69120 HeidelbergGermany Institut für Herzinfarktforschung D-67063 LudwigshafenGermany

In clinical trials, the primary efficacy endpoint often corresponds to a so-called "composite endpoint". Composite endpoints combine several events of interest within a single outcome variable. Thereby it is intended to enlarge the expected effect size and thereby increase the power of the study. However, composite endpoints also come along with serious challenges and problems. On the one hand, composite endpoints may lead to difficulties during the planning phase of a trial with respect to the sample size calculation, asthe expected clinical effect of an intervention on the composite endpoint depends on the effects on its single components and their correlations. This may lead to wrong assumptions on the sample size needed. Too optimistic assumptions on the expected effect may lead to an underpowered of the trial, whereas a too conservatively estimated effect results in an unnecessarily high sample size. On the other hand, the interpretation of composite endpoints may be difficult, as the observed effect of the composite does not necessarily reflect the effects of the single components. Therefore the demonstration of the clinical efficacy of a new intervention by exclusively evaluating the composite endpoint may be misleading. The present paper summarizes results and recommendations of the latest research addressing the above mentioned problems in the planning, analysis and interpretation of clinical trials with composite endpoints, thereby providing a practical guidance for users.

关键词： Composite endpoint Competing risks Multiple testing Time-to-event Adaptive designs