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A novel approach based on metabolomics coupled with network pharmacology to explain the effect mechanisms of Danggui Buxue Tang in anaemia

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Chinese Journal of Natural Medicines 2019年第4期17卷 275-290页

作者： HUA Yong-Li MA Qi yuan zi-wen ZHANG Xiao-Song YAO Wan-Ling JI Peng HU Jun-Jie WEI Yan-Ming College of Veterinary Medicine Gansu Agricultural University

Danggui Buxue Tang(DBT) is a famous Chinese medicinal decoction. Mechanism of DBT action is wide ranging and unclear. Exploring new ways of treatment with DBT is useful. Sprague–Dawley(SD) rats were randomly divided into 3 groups including control(NC, Saline), the DBT(at a dose of 8.10 g?kg–1), and blood deficiency(BD)(Cyclophosphamide(APH)-and Cyclophosphamide(CTX)-induced anaemia). A metabolomics approach using Liquid Chromatography-Quadrupole-Time-of-Flight/Mass Spectrometry(LC/Q-TOFMS) was developed to perform the plasma metabolic profiling analysis and differential metabolites were screened according to the multivariate statistical analysis comparing the NC and BD groups, and the hub metabolites were outliers with high scores of the centrality indices. Anaemia disease-related protein target and compound of DBT databases were constructed. The TCMSP, Chem Mapper and STITCH databases were used to predict the protein targets of DBT. Using the Cytoscape 3.2.1 to establish a phytochemical component–target protein interaction network and establish a component, protein and hub metabolite protein–protein interaction(PPI) network and merging the three PPI networks basing on BisoGenet. The gene enrichment analysis was used to analyse the relationship between proteins based on the relevant genetic similarity by ClueGO. The results shown DBT effectively treated anaemia in vivo. 11 metabolic pathways are involved in the therapeutic effect of DBT in vivo; S-adenosyl-L-methionine, glycine, L-cysteine, arachidonic acid(AA) and phosphatidylcholine(PC) were screened as hub metabolites in APH-and CTX-induced anaemia. A total of 288 targets were identified as major candidates for anaemia progression. The gene-set enrichment analysis revealed that the targets are involved in iron ion binding, haemopoiesis, reactive oxygen species production, inflammation and apoptosis. The results also showed that these targets were associated with iron ion binding, haemopoiesis, ROS production, apo

关键词： Danggui Buxue Tang Metabolomics Network pharmacology Anaemia

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Combined effects of ultrasonic vibration and FeCoNiCrCu coating on interfacial microstructure and mechanical properties of Al/Mg bimetal by compound casting

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China Foundry 2024年第5期21卷 588-598页

作者： yuan-cai Xu wen-ming Jiang Qing-qing Li Ling-hui Yu Xiao-peng Yu zi-tian Fan State Key Laboratory of Materials Processing and Die&Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074China

In this work,a new treatment method combining ultrasonic vibration with FeCoNiCrCu high entropy alloy(HEA)coating was used to prepared Al/Mg bimetal through the lost foam compound *** effects of composite treatment involving ultrasonic vibration and HEA coating on interfacial microstructure and mechanical properties of Al/Mg bimetal were *** demonstrate that the interface thickness of the Al/Mg bimetal with composite treatment significantly decreases to only 26.99%of the thickness observed in the untreated Al/Mg *** HEA coating hinders the diffusion between Al and Mg,resulting the significant reduction in Al/Mg intermetallic compounds in the *** Al/Mg bimetal interface with composite treatment is composed of Al_(3)Mg_(2)and Mg_(2)Si/AlxFeCoNiCrCu+FeCoNiCrCu/δ-Mg+Al_(12)Mg_(17)eutectic *** interface resulting from the composite treatment has a lower hardness than that without *** acoustic cavitation and acoustic streaming effects generated by ultrasonic vibration promote the diffusion of Al elements within the HEA coating,resulting in a significant improvement in the metallurgical bonding quality on the Mg *** fracture position shifts from the Mg side of the Al/Mg bimetal only with HEA coating to the Al side with composite *** shear strength of the Al/Mg bimetal increases from 32.16 MPa without treatment to 63.44 MPa with ultrasonic vibration and HEA coating,increasing by 97.26%.

关键词： ultrasonic vibration FeCoNiCrCu HEA coating Al/Mg bimetal interfacial microstructure shear strength compound casting

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Reliable calculations of nuclear binding energies by the Gaussian process of machine learning

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Nuclear Science and Techniques 2024年第6期35卷 130-144页

作者： zi-Yi yuan Dong Bai Zhen Wang Zhong-Zhou Ren School of Physics Science and Engineering Tongji UniversityShanghai 200092China College of Science Hohai UniversityNanjing 211100China Key Laboratory of Advanced Micro-Structure Materials Ministry of EducationShanghai 200092China

Reliable calculations of nuclear binding energies are crucial for advancing the research of nuclear physics. Machine learning provides an innovative approach to exploring complex physical problems. In this study, the nuclear binding energies are modeled directly using a machine-learning method called the Gaussian process. First, the binding energies for 2238 nuclei with Z > 20 and N > 20 are calculated using the Gaussian process in a physically motivated feature space, yielding an average deviation of 0.046 MeV and a standard deviation of 0.066 MeV. The results show the good learning ability of the Gaussian process in the studies of binding energies. Then, the predictive power of the Gaussian process is studied by calculating the binding energies for 108 nuclei newly included in AME2020. The theoretical results are in good agreement with the experimental data, reflecting the good predictive power of the Gaussian process. Moreover, the α-decay energies for 1169 nuclei with 50 ≤ Z ≤ 110 are derived from the theoretical binding energies calculated using the Gaussian process. The average deviation and the standard deviation are, respectively, 0.047 MeV and 0.070 MeV. Noticeably, the calculated α-decay energies for the two new isotopes ^ (204 )Ac(Huang et al. Phys Lett B 834, 137484(2022)) and ^ (207) Th(Yang et al. Phys Rev C 105, L051302(2022)) agree well with the latest experimental data. These results demonstrate that the Gaussian process is reliable for the calculations of nuclear binding energies. Finally, the α-decay properties of some unknown actinide nuclei are predicted using the Gaussian process. The predicted results can be useful guides for future research on binding energies and α-decay properties.

关键词： Nuclear binding energies decay Machine learning Gaussian process

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Multi-omics analyses provide insights into the evolutionary history and the synthesis of medicinal components of the Chinese wingnut

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Plant Diversity 2024年第3期46卷 309-320页

作者： zi-Yan Zhang He-Xiao Xia Meng-Jie yuan Feng Gao wen-Hua Bao Lan Jin Min Li Yong Li College of Life Science and Technology Inner Mongolia Normal UniversityHohhot 010020China Key Laboratory of Biodiversity Conservation and Sustainable Utilization in Mongolian Plateau for College and University of Inner Mongolia Autonomous Region Hohhot 010022China College of Landscape and Art Henan Agricultural UniversityZhengzhou 450002China State Key Laboratory of Tree Genetics and Breeding Chinese Academy of ForestryBeijing 100091China

Chinese wingnut(Pterocarya stenoptera)is a medicinally and economically important tree species within the family ***,the lack of high-quality reference genome has hindered its in-depth *** this study,we successfully assembled its chromosome-level genome and performed multiomics analyses to address its evolutionary history and synthesis of medicinal components.A thorough examination of genomes has uncovered a significant expansion in the Lateral Organ Boundaries Domain gene family among the winged group in *** notable increase may be attributed to their frequent exposure to flood-prone *** further differentiation between Chinese wingnut and Cyclocarya paliurus,significant positive selection occurred on the genes of NADH dehydrogenase related to mitochondrial aerobic respiration in Chinese wingnut,enhancing its ability to cope with waterlogging *** genomic analysis revealed Chinese wingnut evolved more unique genes related to arginine synthesis,potentially endowing it with a higher capacity to purify nutrient-rich water *** of terpene synthase families enables the production of increased quantities of terpenoid volatiles,potentially serving as an evolved defense mechanism against herbivorous *** combined transcriptomic and metabolomic analysis,we identified the candidate genes involved in the synthesis of terpenoid *** study offers essential genetic resources for Chinese wingnut,unveiling its evolutionary history and identifying key genes linked to the production of terpenoid volatiles.

关键词： Genome Medicinal components Metabolome Pterocarya stenoptera Transcriptome

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Asymmetric radical allylation of β-keto esters with vinyl cyclopropanes by dual photoredox/nickel catalysis

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Science China Chemistry 2024年第11期67卷 3807-3816页

作者： wen-yuan Qu Xue-Song Zhou wen-Jing Xiao Jia-Rong Chen Engineering Research Center of Photoenergy Utilization for Pollution Control and Carbon Reduction Ministry of EducationCollege of Chemistry Central China Normal University Wuhan Institute of Photochemistry and Technology Key Laboratory of Organo-Pharmaceutical Chemistry of Jiangxi Province Gannan Normal University

Radical-involved allylation reactions have emerged as a powerful platform for construction of carbon-carbon and carbonheteroatom bonds, facilitating the strategic incorporation of diverse allyl moieties. Nevertheless, this burgeoning field still faces ongoing challenges, including limitations of radical precursors and coupling partners, and difficulties in achieving enantiocontrol. Herein, we report for the first time a highly enantioselective radical allylation involving β-keto esters with vinyl cyclopropanes utilizing a synergistic dual photoredox/nickel catalysis under visible light irradiation. The mild and redox-neutral catalytic protocol demonstrates an extensive substrate compatibility and good functional tolerance, providing access to enantioenriched β-keto esters featuring quaternary α-stereocenter with good yields and high enantioselectivities. Preliminary mechanistic studies have uncovered that the success of the reaction hinges on the dual roles of nickel catalyst, including in situ formation of photoredox sensitive substrate/Ni complex and the ensuing asymmetric radical addition step.

关键词： asymmetric allylation photoredox catalysis radical addition nickel catalysis β-keto esters vinyl cyclopropanes

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A regression approach for seismic first-break picking

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Petroleum Science 2024年第3期21卷 1584-1596页

作者： Huan yuan San-Yi yuan Jie Wu wen-Jing Sang Yu-He Zhao CNPC Key Laboratory of Geophysical Exploration China University of Petroleum(Beijing)Beijing 102249China Research Institute of Petroleum Exploration&Development—Northwest(NWGI) Key Laboratory of reservoir characterization of CNPCPetroChinaLanzhou 730020GansuChina

The picking efficiency of seismic first breaks(FBs)has been greatly accelerated by deep learning(DL)***,the picking accuracy and efficiency of DL methods still face huge challenges in low signal-to-noise ratio(SNR)*** address this issue,we propose a regression approach to pick FBs based on bidirectional long short-term memory(Bi LSTM)neural network by learning the implicit Eikonal equation of 3D inhomogeneous media with rugged topography in the target *** employ a regressive model that represents the relationships among the elevation of shots,offset and the elevation of receivers with their seismic traveltime to predict the unknown FBs,from common-shot gathers with sparsely distributed *** from image segmentation methods which automatically extract image features and classify FBs from seismic data,the proposed method can learn the inner relationship between field geometry and *** addition,the predicted results by the regressive model are continuous values of FBs rather than the discrete ones of the binary *** picking results of synthetic data shows that the proposed method has low dependence on label data,and can obtain reliable and similar predicted results using two types of label data with large *** picking results of9380 shots for 3D seismic data generated by vibroseis indicate that the proposed method can still accurately predict FBs in low SNR *** subsequent stacked profiles further illustrate the reliability and effectiveness of the proposed *** results of model data and field seismic data demonstrate that the proposed regression method is a robust first-break picker with high potential for field application.

关键词： First-break picking Low signal-to-noiseratio Regression BiLSTM Traveltime Geometry Noisy seismic data

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基于船舶自动识别系统数据的多汊航道船舶流量预测

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水运工程 2020年第9期 152-157页

作者：袁子文交通运输部规划研究院北京100028

基于船舶自动识别系统(AIS)大数据,通过解析AIS原始报文,分离出关键字条,经过数据清洗、筛选后匹配其他船舶数据源,以进一步识别船舶类型并划分吨级。将大数据应用于船舶流量预测中,通过跟踪代表船型的航迹,总结出船舶航行规律和运营情... 详细信息

基于船舶自动识别系统(AIS)大数据,通过解析AIS原始报文,分离出关键字条,经过数据清洗、筛选后匹配其他船舶数据源,以进一步识别船舶类型并划分吨级。将大数据应用于船舶流量预测中,通过跟踪代表船型的航迹,总结出船舶航行规律和运营情况,再结合历史数据和宏观形势发展,综合预测航道货运量,基于对AIS数据的挖掘,运用分配模型预测多汊航道船舶流量,并以长江口南槽航道为例预测其船舶流量。结果表明,运用AIS大数据能有效分析复杂多变的船舶航路,从而准确地预测多汊道航道船舶流量。

关键词： AIS 大数据多汊航道船舶流量预测

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Single-atom Ag-loaded carbon nitride photocatalysts for efficient degradation of acetaminophen:The role of Ag-atom and O_(2)

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Journal of Environmental Sciences 2024年第5期139卷 12-22页

作者： Yi yuan wen-Long Wang Zhi-Wei Wang Jin Wang Qian-yuan Wu Key Laboratory of Microorganism Application and Risk Control of Shenzhen Guangdong Provincial Engineering Research Center for Urban Water Recycling and Environmental SafetyInstitute of Environment and EcologyShenzhen International Graduate SchoolTsinghua UniversityShenzhen 518055China Shenzhen Environmental Science and New Energy Technology Engineering Laboratory Tsinghua-Berkeley Shenzhen InstituteShenzhen 518055China College of Materials Science and Engineering Shenzhen UniversityShenzhen 518071China

Carbon nitride has been extensively used as a visible-light photocatalyst,but it has the disadvantages of a low specific surface area,rapid electron-hole recombination,and relatively low light *** this study,single-atom Ag was successfully anchored on ultrathin carbon nitride(UTCN)via thermal polymerization,the catalyst obtained is called *** Ag hardly changed the carbon nitride's layered and porous physical *** exhibited efficient visible-light photocatalytic performances in the degradation of various recalcitrant pollutants,eliminations of 85% were achieved by visible-light irradiation for *** with Ag improved the photocatalytic performance of UTCN by narrowing the forbidden band gap from 2.49 to 2.36 e V and suppressing electron-hole pair *** addition,Ag doping facilitated O_(2) adsorption on UTCN by decreasing the adsorption energy from -0.2 to -2.22 e V and favored the formation of O_(2)^(·-).Electron spin resonance and radical-quenching experiments showed that O_(2)^(·-)was the major reactive species in the degradation of Acetaminophen(paracetamol,APAP).

关键词： Ag single atom Carbon nitride Photocatalysis Visible light Adsorption energy Reactive species

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Current trends and hotspots of depressive disorders with colorectal cancer:A bibliometric and visual study

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World Journal of Gastrointestinal Oncology 2024年第8期16卷 3687-3704页

作者： zi-Wei Yan Ying-Nan Liu Qian Xu yuan yuan Tumor Etiology and Screening Department of Cancer Institute and General Surgery The First Hospital of China Medical UniversityShenyang 110001Liaoning ProvinceChina Key Laboratory of Cancer Etiology and Prevention in Liaoning Education Department The First Hospital of China Medical UniversityShenyang 110001Liaoning ProvinceChina Laboratory of GI Cancer Etiology and Prevention in Liaoning Province The First Hospital of China Medical UniversityShenyang 110001Liaoning ProvinceChina

BACKGROUND Depression is strongly associated with colorectal cancer(CRC).Few bibliometric analyses have systematically summarized the research focus and recent progress in this *** To determine the research status and hotspots by bibliometric analysis of relevant publications on the relationship between CRC and *** Articles on depression in CRC patients were collected from the Web of Science Core *** and VOSviewer software were used to visualize bibliometric *** From 2001 to 2022,Supportive Care in Cancer,the United States,Tilburg University,and Mols were the most productive and influential journal,country,institution,and author ***-occurrence cluster analysis of keywords placed quality of life,anxiety,and psychological stress in the center of the visual network *** clustering was performed for the clusters with studies of the relevant mechanism of action,which showed that:(1)Cytokines have a role essential for the occurrence and development of depressive disorders in CRC;(2)MicroRNAs have a role essential for the development of depressive disorders in CRC;(3)Some anticancer drugs have pro-depressant activity;and(4)Selective serotonin reuptake inhibitors have both antitumor and antidepressant *** Life quality and psychological nursing of the cancer population were key *** roles of cytokines and microRNAs,the pro-depression activity of anticancer drugs and their antitumor properties deserve in-depth study.

关键词： Depression Colorectal cancer Bibliometric analysis Cytokines Drugs Mechanism

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Index-free triangle-based graph local clustering

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Frontiers of Computer Science 2024年第3期18卷 143-153页

作者： Zhe yuan Zhewei WEI Fangrui LV Ji-Rong wen The Country and Area Studies Academy Beijing Foreign Studies UniversityBeijing 100089China Gaoling School of Artificial Intelligence Renmin University of ChinaBeijing 100872China

Motif-based graph local clustering(MGLC)is a popular method for graph mining tasks due to its various ***,the traditional two-phase approach of precomputing motif weights before performing local clustering loses locality and is impractical for large *** some attempts have been made to address the efficiency bottleneck,there is still no applicable algorithm for large scale graphs with billions of *** this paper,we propose a purely local and index-free method called Index-free Triangle-based Graph Local Clustering(TGLC^(*))to solve the MGLC problem w.r.t.a ***^(*)directly estimates the Personalized PageRank(PPR)vector using random walks with the desired triangleweighted distribution and proposes the clustering result using a standard sweep *** demonstrate TGLC^(*)’s scalability through theoretical analysis and its practical benefits through a novel visualization ***^(*)is the first algorithm to solve the MGLC problem without precomputing the motif *** experiments on seven real-world large-scale datasets show that TGLC^(*)is applicable and scalable for large graphs.

关键词： graph local clustering triangle motif index-free sampling method visualization

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