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Model informed precision medicine of Chinese herbal medicines formulas-A multi-scale mechanistic intelligent model

Journal of Pharmaceutical Analysis 2024年第4期14卷 585-600页

作者： Yuanyuan Qian Xiting Wang Lulu cai Jiangxue Han Zhu Huang Yahui Lou Bingyue Zhang yanjie Wang Xiaoning Sun yan Zhang Aisong Zhu Zhejiang Key Laboratory of Blood-Stasis-Toxin Syndrome Zhejiang Chinese Medical UniversityHangzhou310000China Academy of Mathematics and Systems Science Chinese Academy of SciencesBeijing100190China Zhejiang Engineering Research Center for“Preventive Treatment”Smart Health of Traditional Chinese Medicine Zhejiang Chinese Medical UniversityHangzhou310000China College of Basic Medical Sciences Zhejiang Chinese Medical UniversityHangzhou310000China Affiliated Hospital of Liaoning University of Traditional Chinese Medicine Shenyang110032China Academy of Chinese Medical Science Zhejiang Chinese Medical UniversityHangzhou310000China

Recent trends suggest that Chinese herbal medicine formulas(CHM formulas)are promising treatments for complex *** characterize the precise syndromes,precise diseases and precise targets of the precise targets between complex diseases and CHM formulas,we developed an artificial intelligence-based quantitative predictive algorithm(DeepTCM).DeepTCM has gone through multilevel model calibration and validation against a comprehensive set of herb and disease data so that it accurately captures the complex cellular signaling,molecular and theoretical levels of traditional Chinese medicine(TCM).As an example,our model simulated the optimal CHM formulas for the treatment of coronary heart disease(CHD)with depression,and through model sensitivity analysis,we calculated the balanced scoring of the ***,we constructed a biological knowledge graph representing interactions by associating herb-target and gene-disease ***,we experimentally confirmed the therapeutic effect and pharmacological mechanism of a novel model-predicted intervention in humans and *** novel multiscale model opened up a new avenue to combine“disease syndrome”and“macro micro”system modeling to facilitate translational research in CHM formulas.

关键词： Chinese herbal medicine formulas Precision medicine Mathematical modeling Systems biology Coronary heart disease Depression Ischemia-reperfusion Inflammation

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Research on the development methodology for clinical practice guidelines for organic integration of traditional Chinese medicine and Western medicine

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Military Medical Research 2024年第3期11卷 313-322页

作者： Ying-Hui Jin yan-Ping Wang Ying-Lan Xie Gui-Hua Tian Xiao-Yu Zhang Nan-Nan Shi Ke-Hu yang Xin Sun Yao-Long Chen Da-Rong Wu Xin-Feng Guo Long Ge Chen Zhao Cheng Lu Yin Jiang Jing Guo Si-Yu yan Yong-Bo Wang Qiao Huang Xiang-Ying Ren Ying-Yue Rao yun-yun Wang Meng-Qian Yuan Xian-Tao Zeng Hong-cai Shang Center for Evidence-Based and Translational Medicine Zhongnan Hospital of Wuhan UniversityWuhan 430071China Institute of Basic Research in Clinical Medicine China Academy of Chinese Medical SciencesBeijing 100700China China Center for Evidence Based Traditional Chinese Medicine Beijing 100029China Hubei Provincial Hospital of Traditional Chinese Medicine Wuhan 430074China Key Laboratory of Chinese Internal Medicine of Ministry of Education and Beijing Dongzhimen HospitalBeijing University of Chinese MedicineBeijing 100700China Evidence-Based Medicine Center School of Basic Medical SciencesLanzhou UniversityLanzhou 730000China China Center for Evidence-Based Medicine West China Hospital of Sichuan UniversityChengdu 610041China State Key Laboratory of Dampness Syndrome of Chinese Medicine the Second Affliated Hospital of Guangzhou University of Chinese MedicineGuangzhou 510120China Evidence-based Medicine Team Guangdong Provincial Hospital of Traditional Chinese MedicineGuangzhou 510120China Nanjing University of Chinese Medicine Nanjing 210023China Jiangsu Province Hospital of Chinese Medicine Nanjing 210029China

Integrated traditional Chinese medicine(TCM)and Western medicine(WM)is a new medical science grounded in the knowledge bases of both TCM and WM,which then forms a unique modern medical system in *** TCM and WM has a long history in China,and has made important achievements in the process of clinical diagnosis and ***,the methodological defects in currently published clinical practice guidelines(CPGs)limit its *** organic integration of TCM and WM is a deeper integration of TCM and *** realize the progression of"integration"to"organic integration",a targeted and standardized guideline development methodology is ***,the purpose of this study is to establish a standardized development procedure for clinical practice guidelines for the organic integration of TCM and WM to promote the systematic integration of TCM and WM research results into clinical practice guidelines in order to achieve optimal results as the whole is greater than the sum of the parts.

关键词： Methodology Traditional Chinese medicine Western medicine Organic integration Clinical practice guidelines(CPGs)

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Defect-induced synthesis of nanoscale hierarchically porous metal-organic frameworks with tunable porosity for enhanced volatile organic compound adsorption

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Nano Materials Science 2024年第4期6卷 467-474页

作者： Kuan Liang Weibiao Guo Linmei Li Huidong cai Haiqi Zhang Jingjing Li Feng Xu Jian yan Daofei Lv Hongxia Xi Chongxiong Duan Guangdong Provincial Key Laboratory of Intelligent Food Manufacturing Foshan University School of Materials Science and Hydrogen Engineering Foshan University School of Chemistry and Chemical Engineering South China University of Technology School of Environmental and Chemical Engineering Foshan University

Nanoscale hierarchically porous metal-organic frameworks （NH-MOFs） synergistically combine the advantages of nanoscale MOFs and hierarchically porous MOFs,resulting in remarkable characteristics such as increased specific surface area,greater porosity,and enhanced exposure of active ***,nanoscale hierarchically porous UIO-66 （UIO-66＿X） was synthesized using a defect-induced strategy that employed ethylene diamine tetraacetic acid （EDTA） as a *** introduced EDTA occupies the coordination sites of organic ligands,promoting the formation and growth of UIO-66 crystal nuclei and inducing defects during *** as-synthesized UIO-66＿X crystals exhibit a uniform distribution with an average size of approximately 100 *** addition,the total pore volume attains a remarkable value of 0.95 cm3g-1,with mesopores constituting 36.8%of the ***,the porosities of UIO-66＿X can be easily tuned by controlling the molar ratio of EDTA/Zr4+.In addition,the as-synthesized UIO-66＿X exhibits excellent adsorption capacities for n-hexane (344 mg g-1) and pxylene (218 mg g-1),which are 44.5%and 27.5%higher than those of conventional UIO-66,***,the adsorption behavior of n-hexane and p-xylene molecules in UIO-66＿X was investigated using density functional theory simulations.

关键词： Nanoscale hierarchically porous MOFs Tunable porosities Enhanced VOC adsorption

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Single-cell RNA sequencing reveals abnormal transcriptome signature of erythroid progenitors in pure red cell aplasia

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Genes & Diseases 2024年第1期11卷 49-52页

作者： Yumei Liu Haiyue Niu Jie Ren Zhiqin Wang Li yan Limin Xing Zonghong Shao Rong Fu Zhigang cai Huaquan Wang Department of Hematology Tianjin Medical University General HospitalTianjin 300052China School of Basic Medical Sciences Tianjin Medical UniversityTianjin 300070China

Pure red cell aplasia(PRCA)is a bone marrow failure syndrome characterized by severe anemia,reticulocytopenia,selective reduction,and even the absence of bone marrow erythroid precursors,while leukocyte and platelet counts are normal.1 Acquired PRCA can be divided into primary and *** are mediated by immune *** in the quantity and dysfunction of committed erythroid progenitors(EPs),including burst forming uniterythroid(BFU-E)and colony forming unit-erythroid(CFU-E),may be the source of reduced erythropoiesis and needs to be elucidated.

关键词： progenitor anemia leukocyte

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Five quinolizidine alkaloids with anti-tobacco mosaic virus activities from two species of Sophora

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Chinese Chemical Letters 2024年第6期35卷 380-384页

作者： Ji Zhang Tong Zhang Qiao An Peng Zhang cai-yan Tian Chun-Mao Yuan Ping Yi Zhan-Xing Hu Xiao-Jiang Hao State Key Laboratory of Functions and Applications of Medicinal Plants Guizhou Medical UniversityGuiyang 550014China Natural Products Research Center of Guizhou Province Guiyang 550014China School of Pharmaceutical Sciences Guizhou Medical UniversityGuiyang 550025China School of Pharmacy Guizhou University of Traditional Chinese MedicineGuiyang 550025China State Key Laboratory of Phytochemistry and Plant Resources in West China Kunming Institute of BotanyChinese Academy of ScienceKunming 650201China Research Unit of Chemical Biology of Natural Anti-Virus Products Chinese Academy of Medical SciencesKunming 650201China

Three novel matrine-type alkaloids(1-3)and two unprecedented aloperine-type alkaloids(4 and 5)were isolated from the root of Sophora tonkinensis and the seeds of Sophora alopecuroides ***,compound 1 possessed an unprecedented 6/5/6 tricyclic skeleton,while compounds 2 and 3 characterized by rare 6/6/5/6 tetracyclic system and 6/6/6/6/6 pentacyclic system ***,compound 4 possessed an unprecedented 6/7/6/6 tetracyclic core,and compound 5 characterized by rare 6/6/6/6tetracyclic *** structures were elucidated by comprehensive spectroscopic data analysis and electronic circular dichroism(ECD)*** tests indicated that compound 5 displayed significant anti-tobacco mosaic virus(TMV)activity compared with the positive control ningnanmycin.

关键词： Matrine-type alkaloids Aloperine-type alkaloids Sophora tonkinensis Sophora alopecuroides Anti-tobacco mosaic virus

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Untargeted metabolomic profiling， nutritional composition and enzyme changes on Bigeye tuna(Thunnus obesus) during cold storage by HPLC-MS coupled with logistic regression

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Food Science and Human Wellness 2024年

作者： Xin-yun Wang Zi-Xuan Zhao Jun yan Jing Xie Shanghai Engineering Research Center of Aquatic Product Processing & Preservation， Shanghai Ocean University The International Peace Maternity and Child Health Hospital， School of Medicine， Shanghai Jiao Tong University National Experimental Teaching Demonstration Center for Food Science and Engineering， Shanghai Ocean University College of Food Science & Technology， Shanghai Ocean University

Bigeye tuna is a protein-rich fish that is susceptible to spoilage during cold storage， however， there is limited information on untargeted metabolomic profiling of bigeye tuna concerning spoilage-associated enzymes and metabolites. This study aimed to investigate how cold storage affects enzyme activities， nutrient composition， tissue microstructures and spoilage metabolites of bigeye tuna. The activities of cathepsin B， H， L increased， while Na+/K+-ATPase and Mg2＋-ATPase decreased， α-glucosidase （AG） and β-1，4-N-acetylglucosaminidase （NAG）， lipase and lipoxygenase first increased and then decreased during cold storage， suggesting that proteins undergo degradation and ATP metabolism occurs at a faster rate during cold storage. Nutrient composition （moisture， protein， and lipid content）， free amino acids， total amino acids decreased， suggesting that the nutritional value of bigeye tuna was reduced. Besides， a logistic regression equation has been established as a food analysis tool and assess the dynamics and correlation of the enzyme of bigeye tuna during cold storage. Based on untargeted metabolomic profiling analysis， a total of 484 metabolites were identified as significantly differential metabolites in the bigeye tuna contained several spoilage metabolites involved in lipid metabolism （1-Acyl-sn-glycero-3phosphocholine， Glycerophosphocholine， Choline phosphate）， amino acid metabolism (L-Histidine， 5-Deoxy-5'-（methylthio）adenosine， 5-Methylthioadenosine)， carbohydrate metabolism （D-Gluconicacid， beta-D-Fructose 1，6-bisphosphate， D-Glyceraldehyde 3-phosphate）. The results of tissue microstructures of tuna showed a looser network and visible deterioration of tissue fiber during cold storage. Therefore， metabolomic analysis and tissue microstructures provide insight into the spoilage mechanism investigations on bigeye tuna during cold storage.

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MFG-E8 Alleviates Cognitive Impairments Induced by Chronic Cerebral Hypoperfusion by Phagocytosing Myelin Debris and Promoting Remyelination

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Neuroscience Bulletin 2024年第4期40卷 483-499页

作者： Xiaohong Dong Zhi Zhang Xin Shu Zi Zhuang Pinyi Liu Renyuan Liu Shengnan Xia Xinyu Bao yun Xu yan Chen Department of Neurology Nanjing Drum Tower HospitalAffiliated Hospital of Medical SchoolNanjing UniversityNanjing210008China Department of Neurology Nanjing Drum Tower Hospital Clinical College of Traditional Chinese and Western MedicineNanjing University of Chinese MedicineNanjing210008China Department of Neurology Drum Tower Hospital of Nanjing Medical UniversityNanjing210008China Jiangsu Key Laboratory for Molecular Medicine Medical School of Nanjing UniversityNanjing210008China Jiangsu Provincial Key Discipline of Neurology Nanjing210008China

Chronic cerebral hypoperfusion is one of the pathophysiological mechanisms contributing to cognitive decline by causing white matter *** phagocytosing myelin debris in a timely manner can promote remyelination and contribute to the repair of white ***,milk fat globule-epidermal growth factor-factor 8(MFG-E8),a microglial phagocytosis-related protein,has not been well studied in hypoperfusion-related cognitive *** found that the expression of MFG-E8 was significantly decreased in the brain of mice after bilateral carotid artery stenosis(BCAS).MFG-E8 knockout mice demonstrated more severe BCAS-induced cognitive impairments in the behavioral *** addition,we discovered that the deletion of MFG-E8 aggravated white matter damage and the destruction of myelin microstructure through fluorescent staining and electron ***,MFG-E8 overexpression by AAV improved white matter injury and increased the number of mature oligodendrocytes after ***,in vitro and in vivo experiments showed that MFG-E8 could enhance the phagocytic function of microglia via theαVβ3/αVβ5/Rac1 pathway and IGF-1 production to promote the differentiation of oligodendrocyte progenitor cells into mature ***,we found that MFG-E8 was mainly derived from astrocytes,not *** findings suggest that MFG-E8 is a potential therapeutic target for cognitive impairments following cerebral hypoperfusion.

关键词： White matter injury Cognitive dysfunction MFG-E8 Remyelination Microglial phagocytosis

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Coupling metal-organic frameworks and wood-based carbon for water remediation

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Nano Research 2024年第6期17卷 5661-5669页

作者： Akhter Zia Manish Neupane Aidan McGlone Rui He Ruikun Xin Yifeng Liu Qiangu yan Jinwu Wang Ling Li Zhiyong cai Pei Dong Yingchao yang Department of Mechanical Engineering University of MaineOronoME 04469USA Department of Mechanical and Aerospace Engineering University of MissouriColumbiaMO 65211USA Department of Mechanical Engineering George Mason UniversityFairfaxVA 22030USA Department of Civil and Environmental Engineering Rice UniversityHoustonTX 77005USA Department of Materials Science and NanoEngineering Rice UniversityHoustonTX 77005USA Forest Products Laboratory USDAMadisonWI 53726USA School of Forestry Resources University of MaineOronoME 04469USA

Fresh and clean water is highly demanded throughout the *** effectively address the need,nanomaterials enabled nanotechnology has been explored as a means of more efficient,reliable,and environmentally friendly approach towards water treatment *** concern in adopting nanomaterials is how to retrieve them from water body to avoid secondary *** this work,the earth abundant and sustainable wood,e.g.,basswood,was selected and carbonized into porous carbon as host skeleton,and metal-organic frameworks(MOFs),e.g.,MOF-199 with extremely high surface area,were grown throughout all channels in the porous basswood *** the traditional organic pollutant,methyl orange(MO),the combination of MOFs and basswood carbon(MOFs@carbon)demonstrates a remarkable adsorption capacity,which is 243%and 454%higher than basswood carbon and MOF-199,*** an outstanding adsorption performance originates from that the positively charged carbon pulls MO molecules close to carbon surface,leading to a high MO molecule concentration,and then the concentration gradient drives the MO molecules to be stored inside MOFs,functioning like *** findings highlight the potential application of coupled MOFs and biomass carbon in addressing water remediation.

关键词： metal-organic framework(MOF)-199 basswood carbon MOFs@carbon methyl orange

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Primordial black hole mass functions as a probe of cosmic origin

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Science China(Physics,Mechanics & Astronomy) 2024年第5期67卷 164-171页

作者： Yi-Fu cai Chengfeng Tang Geyu Mo Sheng-Feng yan Chao Chen Xiao-Han Ma Bo Wang Wentao Luo Damien A.Easson Antonino Marcianò Deep Space Exploration Laboratory/School of Physical Sciences University of Science and Technology of ChinaHefei 230026China CAS Key Laboratory for Researches in Galaxies and Cosmology/Department of Astronomy School of Astronomy and Space ScienceUniversity of Science and Technology of ChinaHefei 230026China Istituto Nazionale di Fisica Nucleare(INFN) Sezione di MilanoMilano 20146Italy DiSAT Universitàdegli Studi dell'InsubriaComo 22100Italy Jockey Club Institute for Advanced Study The Hong Kong University of Science and TechnologyHong KongChina Department of Physics Arizona State UniversityTempe 85287-1504USA Department of Physics&Center for Field Theory and Particle Physics Fudan UniversityShanghai 200433China Laboratori Nazionali di Frascati INFN Via Enrico Fermi 541 Frascati(Roma)00044Italy INFN sezione Roma Tor Vergata Rome I-00133Italy School of Physics University of Electronic Science and Technology of ChinaChengdu11731China

We discuss a novel window to probe the origin of our universe via the mass functions of primordial black holes(PBHs).The mass functions of PBHs are simply estimated using the conventional Press-Schechter formalism for two paradigms of cosmic origin,including inflationaryΛCDM and bounce *** standard inflationaryΛCDM model cannot generate an appreciable number of massive PBHs;however,non-trivial inflation models with blue-tilted power spectra at small scales and matter bounce cosmology provide formation mechanisms for heavy PBHs,which in turn,may seed the observed supermassive black holes(SMBHs).By fitting the SMBH mass functions at high redshift(z~6)derived from Sloan Digital Sky Survey(SDSS)and Canada-France High-z Quasar Survey(CFHQS)quasars,for two paradigms of cosmic origin,we derive constraints on the PBH density fraction fPBHat z~6 and the characteristic mass M_(★),with the prior assumption that all SMBHs stem from *** demonstrate that this newly proposed procedure,relying on astronomical measurements that utilize deep-field surveys of SMBHs at high redshift,can be used to constrain models of cosmic ***,although not the main focus of this paper,we evolve the mass function from z~6 to z~0 through an assumption of 3×10^(8)-year Eddington’s accretion,and give a rough estimation of fPBHat z~0.

关键词： origin cosmic massive

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Risk Factors of Enternal Nutrition Intolerance in Septic Patients:A Case-control Study

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Current Medical Science 2024年第2期44卷 328-332页

作者： Li-zhu WANG yan XIANG Qian LI Yi-rong ZHU Jue FANG Xiao-dan LU Zhao-cai ZHANG Department of Nursing The Second Affiliated HospitalZhejiang University School of MedicineHangzhou 310009China Department of Critical Care Medicine The Second Affiliated HospitalZhejiang University School of MedicineHangzhou 310009China Key Laboratory of the Diagnosis and Treatment for Severe Trauma and Burn of Zhejiang Province Hangzhou 310009China Zhejiang Province Clinical Research Center for Emergency and Critical Care Medicine Hangzhou 310009China

Objective:This study aimed to investigate the incidence of enteral nutrition intolerance(ENI)in patients with sepsis and explore potential risk ***:A case-control study was conducted in patients with sepsis who were receiving enteral nutrition(EN)at a tertiary hospital in *** included patients were divided into the ENI group and the non-ENI *** and multivariate analyses were performed to identify the risk factors for ***:A total of 859 patients were included in the *** them,288(33.53%)patients experienced symptoms of ENI,including diarrhea,vomiting,bloating,and gastric *** regression analysis revealed that the Acute Physiology and Chronic Health Evaluation H(APACHE H)score,thoracocentesis,and usage of cardiotonic drugs(namely,inotropes)were independent predictors of the ***:The incidence of ENI is relatively high in patients with sepsis,especially in those who have higher APACHE H scores,have undergone thoracocentesis,and have received inotropes.

关键词： sepsis enteral nutrition intolerance influencing factor

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