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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 medicine.However,this pattern-oriented approach still has some weak points in terms of chemical coverage and robustness.In this work,we proposed a multiple reaction monitoring(MRM)-based fingerprinting method in which approximately 100 constituents were simultaneously detected for quality assessment.The derivative MRM approach was employed to rapidly design MRM transitions independent of chemical standards,based on which the large-scale fingerprinting method was efficiently established.This 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 peaks.Compared 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 algorithm.This 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

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Multimodal integrated strategy for the discovery and identification of quality markers in traditional Chinese medicine

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Journal of Pharmaceutical Analysis 2022年第5期12卷 701-710页

作者： Xiaoyan Lu Yanyan Jin Yuzhen Wang Yunlong Chen Xiaohui Fan Pharmaceutical Informatics Institute College of Pharmaceutical SciencesZhejiang UniversityHangzhou310058China Innovation Center in Zhejiang University State Key Laboratory of Component-Based Chinese MedicineHangzhou310058China Jinhua Institute of Zhejiang University JinhuaZhejiang321016China Westlake Laboratory of Life Sciences and Biomedicine Hangzhou310058China Hangzhou Children's Hospital Hangzhou310010China Department of Pharmacy Sir Run Run Shaw HospitalZhejiang University School of MedicineHangzhou310016China

With the modernization and internationalization of traditional Chinese medicine(TCM),the requirement for quality control has increased.The quality marker(Q-marker)is an important standard in this field and has been implemented with remarkable success in recent years.However,the establishment of Qmarkers remains fragmented and the process lacks systematicity,resulting in inconsistent quality control and insufficient correlation with clinical efficacy and safety of TCM.This review introduces four multimodal integrated approaches that contribute to the discovery of more comprehensive and accurate Qmarkers,thus aiding in the establishment of new quality control patterns based on the characteristics and principles of TCM.These include the whole-process quality control strategy,chemical-activity-based screening method,efficacy,safety,and consistent combination strategy,and TCM theory-guided approach.Furthermore,methodologies and representative examples of these strategies are described,and important future directions and questions in this field are also proposed.

关键词： Traditional Chinese medicine(TCM) Quality marker(Q-marker) Multimodal integrated strategy Quality control systems

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Spatial pattern and driving factors of biomass carbon density for natural and planted coniferous forests in mountainous terrain,eastern Loess Plateau of China

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Forest Ecosystems 2020年第1期7卷 104-116页

作者： Lina Sun Mengben Wang Xiaohui Fan Institute of Loess Plateau Shanxi UniversityWucheng Road 92Taiyuan 030006China

Background:Understanding the spatial pattern and driving factors of forest carbon density in mountainous terrain is of great importance for monitoring forest carbon in support of sustainable forest management for mitigating climate change.Methods:We collected the forest inventory data in 2015 in Shanxi Province,eastern Loess Plateau of China,to explore the spatial pattern and driving factors of biomass carbon density(BCD)for natural and planted coniferous forests using Anselin Local Moran’s I,Local Getis-Ord G*and semivariogram analyses,and multi-group structural equation modeling,respectively.Results:The result of spatial pattern of BCDs for natural forests showed that the BCD was generally higher in the north but lower in the south of Shanxi.The spatial pattern for planted forests was substantially different from that for natural forests.The results of multi-group SEM suggested that elevation(or temperature as the alternative factor of elevation)and stand age were important driving factors of BCD for these two forest types.Compared with other factors,the effects of latitude and elevation on BCD showed much greater difference between these two forest types.The difference in indirect effect of latitude(mainly through affecting elevation and stand age)between natural and planted forests was to some extent a reflection of the difference between the spatial patterns of BCDs for natural and planted forests in Shanxi.Conclusions:The natural coniferous forests had a higher biomass carbon density,a stronger spatial dependency of biomass carbon density relative to planted coniferous forests in Shanxi.Elevation was the most important driving factor,and the effect on biomass carbon density was stronger for natural than planted coniferous forests.Besides,latitude presented only indirect effect on it for the two forest types.

关键词： Spatial pattern Spatial heterogeneity Multi-group structural equation modeling Stand age Elevation Mountainous terrain

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Analysis of reflected signal of quad rotor UAV based on model fitting in mobile communication system

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Journal of Systems Engineering and Electronics 2022年第1期33卷 97-104页

作者： LI xiaohui fanG Cong fan Tao School of Telecommunication Engineering Xidian UniversityXi’an 710071China Guangzhou Institute of Technology Xidian UniversityGuangzhou 510555China

In view of the many scenes of unmanned aerial vehicle(UAV)detection,a third-party signal source is used to design a receiver to monitor the UAV.It is of great significance to understand the reflection of the signal illuminating the UAV.Taking the communication base station(BS)signal as the third-party signal source,and considering the complete transmission link,reflection changes and loss fading of the communication signal,this study conducts model fitting for irregular UAV targets,simplifying complex targets into a combination of simple targets.Furthermore,the influence of the dielectric constant of the target surface and the signal irradiation angle on the signal reflection is analyzed.The analysis shows that the simulation results of this model fitting method are consistent with the results of other literature,which provides theoretical support for the detection of low and slow small targets such as UAVs.

关键词： mobile communication signal quad rotor unmanned aerial vehicle(UAV) signal reflection model fitting

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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 barriers.Then the modified paper was cut according to the specific design.Necessary reagents including XOD for the colorimetric assay were immobilized on two separate pieces of paper.By simply adding phosphate buffer,the reaction was performed on the double-layer PAD.Quantitative 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 cm.Color component G performed well in terms of linearity and detection limits and thus was identified as the index.The reaction conditions were optimized using a definitive screening design.Moreover,a 10%glycerol solution was found to be a suitable stabilizer.When the stabilizer was added,the activity of XOD could be maintained for at least 15 days under 4℃ or-20℃ storage conditions.The inhibitory activity of SME was investigated and compared to that of allopurinol.The results obtained with the PAD showed agreement with those obtained with the microplate method.In conclusion,the proposed PAD method is simple,accurate and has a potential for point-of-care testing.It 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

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New avenues for systematically inferring cellcell communication:through single-cell transcriptomics data

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Protein & Cell 2020年第12期11卷 866-880页

作者： Xin Shao Xiaoyan Lu Jie Liao Huajun Chen Xiaohui Fan College of Pharmaceutical Sciences Zhejiang UniversityHangzhou 310058China College of Computer Science and Technology Zhejiang UniversityHangzhou 310027China The First Affiliated Hospital School of MedicineZhejiang UniversityHangzhou 310003China The Save Sight Institute Faculty of Medicine and HealthThe University of SydneySydneyNSW 2000Australia

For multicellular organisms,cell-cell communication is essential to numerous biological processes.Drawing upon the latest development of single-cell RNA-sequencing(scRNA-seq),high-resolution transcriptomic data have deepened our understanding of cellular phenotype heterogeneity and composition of complex tissues,which enables systematic cell-cell communication studies at a single-cell level.We first summarize a common workflow of cell-cell communication study using scRNA-seq data,which often includes data preparation,construction of communication networks,and result validation.Two common strategies taken to uncover cell-cell communications are reviewed,e.g.,physically vicinal structure-based and ligand-receptor interaction-based one.To conclude,challenges and current applications of cell-cell communication studies at a single-cell resolution are discussed in details and future perspectives are proposed.

关键词： cell-cell communication single-cell RNA sequencing physical contact-dependent communication chemical signal-dependent communication ligand-receptor interaction network biology

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Rapid detection of fluoroquinolone residues in aquatic products based on a gold-labeled microwell immunochromatographic assay

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Food Quality and Safety 2022年第4期6卷 597-607页

作者： Jiaxu Xiao Hongfei Yang Liangni Qin Jixiang Liang Long Li Xiaohui Fan Dapeng Peng National Reference Laboratory of Veterinary Drug Residues/Key Laboratory of Ministry of Agriculture for the Detection of Veterinary Drug Residues in Foods Huazhong Agricultural UniversityWuhanChina Wuhan Shangcheng Biotechnology Co. Ltd.WuhanChina Shenzhen Institute of Nutrition and Health Huazhong Agricultural UniversityShenzhenChina Shenzhen Branch Guangdong Laboratory for Lingnan Modern AgricultureAgricultural Genomics Institute at ShenzhenChinese Academy of Agricultural SciencesShenzhenChina Genome Analysis Laboratory of the Ministry of Agriculture Agricultural Genomics Institute at ShenzhenChinese Academy of Agricultural SciencesShenzhenChina

Objectives:Fluoroquinolones(FQs)are widely used in aquaculture,and their residues have caused many problems threatening human health.Here,this study aims to develop a colloidal gold immunochromatographic strip based on gold-labeled microwells to screen the residues of FQs on site.Materials and methods:The Protein A Magarose Beads affinity chromatography method was adopted to purify the ascites against FQs.By using a strategy of heterologous coating antigen,different coating antigens are applied to detect FQs.The gold-labeled microwell immunochromatographic assay was used to improve the sensitivity of the test strip by the advanced reaction of antigen and antibody.Results:The antibodies were verified to be of high purity up to 99%,and the titer reached 1:1024000.The combination(enoxacin-OVA and the antibody)detected the 4 banned FQs(pefloxacin,PEF;norfloxacin,NOR;lomefloxacin,LOM;ofloxacin,OFL)with the 50%inhibiting concentration(IC50)values ranging from 1.3 to 2.1 ng/mL and cross-reactions ranging from 67.3%to 106.1%.The analysis of spiked crucian carp,silver carp,grass carp,and shrimp samples showed that the limit of detection for PEF,NOR,LOM,and OFL was 4μg/kg.A comparative study with liquid chromatography tandem mass spectrometry(LC-MS/MS)demonstrated that the assay provided an effective screening tool for the rapid detection of FQs residues.Conclusions:The results indicated that the test strip can realize full coverage recognition of the 4 banned FQs and has good accuracy,specifi-city,reproducibility,and stability;therefore,they are more suitable for rapid detection of FQs in aquatic products.

关键词： fluoroquinolones colloidal gold microwell purification residues

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Deep learning for fast channel estimation in millimeter-wave MIMO systems

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Journal of Systems Engineering and Electronics 2022年第6期33卷 1088-1095页

作者： LYU Siting LI xiaohui fan Tao LIU Jiawen SHI Mingli School of Telecommunication Engineering Xidian UniversityXi’an 710071China State Key Laboratory of Integrated Service Networks Xidian UniversityXi’an 710071China

Channel estimation has been considered as a key issue in the millimeter-wave(mmWave)massive multi-input multioutput(MIMO)communication systems,which becomes more challenging with a large number of antennas.In this paper,we propose a deep learning(DL)-based fast channel estimation method for mmWave massive MIMO systems.The proposed method can directly and effectively estimate channel state information(CSI)from received data without performing pilot signals estimate in advance,which simplifies the estimation process.Specifically,we develop a convolutional neural network(CNN)-based channel estimation network for the case of dimensional mismatch of input and output data,subsequently denoted as channel(H)neural network(HNN).It can quickly estimate the channel information by learning the inherent characteristics of the received data and the relationship between the received data and the channel,while the dimension of the received data is much smaller than the channel matrix.Simulation results show that the proposed HNN can gain better channel estimation accuracy compared with existing schemes.

关键词： millimeter-wave(mmWave) channel estimation deep learning(DL) dimensional mismatch channel state information(CSI)

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Ambient flash sintering of reduced graphene oxide/zirconia composites:Role of reduced graphene oxide

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Journal of Materials Science & Technology 2021年第1期60卷 70-76页

作者： Weiwei Xiao Na Ni Xiaohui Fan Xiaofeng Zhao Yingzheng Liu Ping Xiao Gas Turbine Research Institute School of Mechanical EngineeringShanghai Jiao Tong University800 Dongchuan RdShanghai 200240China School of Materials Science and Engineering Shanghai Jiao Tong University800 Dongchuan RdShanghai 200240China

Fabrication of graphene/ceramic composites commonly requires a high-temperature sintering step with long times as well as a vacuum or inert atmosphere,which not only results in property degradation but also significant equipment complexity and manufacturing costs.In this work,the ambient flash sintering behavior of reduced graphene oxide/3 mol% yttria-stabilized ZrO_(2)(rGO/3 YSZ) composites utilizing rGO as both a composite component and a conductive additive is reported.When the sintering condition is carefully optimized,a dense and conductive composite can be achieved at room temperature and in the air within 20 s.The role of the rGO in the FS of the rGO/3 YSZ composites is elucidated,especially with the assistance of a separate investigation on the thermal runaway behavior of the rGO.The work suggests a promising fabrication route for rGO/ceramic composites where the vacuum and furnace are not needed,which is of interest in terms of simplifying the fabrication equipment for energy and cost savings.

关键词： Flash sintering Reduced graphene oxide Zirconia Ceramic matrix composites

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Network pharmacology approaches for research of Traditional Chinese Medicines

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Chinese Journal of Natural Medicines 2023年第5期21卷 323-332页

作者： LI Xiang LIU Ziqi LIAO Jie CHEN Qian LU Xiaoyan fan xiaohui School of Basic Medical Sciences and Forensic Medicine Hangzhou Medical CollegeHangzhou 311399China Department of Chinese Medicine Science&Engineering College of Pharmaceutical SciencesZhejiang UniversityHangzhou 310058China Innovation Center in Zhejiang University State Key Laboratory of Component-based Chinese MedicineHangzhou 310058China Future Health Laboratory Innovation Center of Yangtze River DeltaZhejiang UniversityJiaxing 314100China

Pharmacodynamics material basis and effective mechanisms are the two main issues to decipher the mechnisms of action of Traditional Chinese medicines(TCMs)for the treatment of diseases.TCMs,in“multi-component,multi-target,multi-pathway”paradigm,show satisfactory clinical results in complex diseases.New ideas and methods are urgently needed to explain the complex interactions between TCMs and diseases.Network pharmacology(NP)provides a novel paradigm to uncover and visualize the underlying interaction networks of TCMs against multifactorial diseases.The development and application of NP has promoted the safety,efficacy,and mechanism investigations of TCMs,which then reinforces the credibility and popularity of TCMs.The current organcentricity of medicine and the“one disease-one target-one drug”dogma obstruct the understanding of complex diseases and the development of effective drugs.Therefore,more attentions should be paid to shift from“phenotype and symptom”to“endotype and cause”in understanding and redefining current diseases.In the past two decades,with the advent of advanced and intelligent technologies(such as metabolomics,proteomics,transcriptomics,single-cell omics,and artificial intelligence),NP has been improved and deeply implemented,and presented its great value and potential as the next drug-discovery paradigm.NP is developed to cure causal mechanisms instead of treating symptoms.This review briefly summarizes the recent research progress on NP application in TCMs for efficacy research,mechanism elucidation,target prediction,safety evaluation,drug repurposing,and drug design.

关键词： Network Pharmacology Single-Cell omics Artificial Intelligence Traditional Chinese Medicine Herbal Medicine Pharmacodynamics Material Basis Effective Mechanism Drug Repurposing

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