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2019 2nd International Conference on Advanced Algorithms and Control Engineering, ICAACE 2019

作者： feng, Junjie Zhang, xuwen Wang, Yonghui School of Electrical Engineering Liupanshui Normal University Liupanshui GUIZHOU553004 China College of Electronic and Information Engineering Nanjing University of Aeronautics and Astronautics Nanjing211106 China

In order to obtain high resolution inverse synthetic aperture radar (ISAR) sparse images, a block sparse signal recovery ISAR imaging algorithm is proposed by considering the cluster characteristics of target in this paper. Firstly, the ISAR sparse imaging model is established, the imaging is converted to L0 norm optimization problem. Secondly, one negative exponential function sequence is used as smoothed function to approach the block L0 norm. Finally, the revised step is added to ensure solving the optimization problem along the steepest descent gradient direction and the cost function is updated for the next loop. Simulation results verify the proposed algorithm is effective. © Published under licence by IOP Publishing Ltd.

关键词： Inverse synthetic aperture radar

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Interaction Between Tangeretin and Ovalbumin to Reduce the Allergic Effects of Ovalbumin

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Chemical Research in Chinese Universities 2016年第4期32卷 556-560页

作者： SHI Xiaolei ZHANG Ting LI xuwen feng Yu TAN Xin JIN Yongri College of Food Science and Engineering Jilin University Changchun 130062 P. R. China College of Chemistry Jilin University Changchun 130012 P. R. China

Food allergy has become a worldwide problem. To find an effective way to reduce the allergic effect of allergen is an interesting topic. In this work, the interaction between ovalbumin（OVA） and tangeretin was studied by means of spectroscopy, molecular docking calculation and animal experiment. As the results show, static quenching of fluorescence intensity happened due to the interaction between OVA and tangeretin. Binding constants, binding sites, and thermometric parameters were obtained. The conformation changing of OVA occurred due to the interaction between it and tangeretin. The molecular docking calculation results show that the epitopes Arginine 84（ARG84）, Leucine 87（LEU87）, Asparagine 88（ASN88）, Serine 103（SER103）, Arginine 104（ARG104）, Leucine 124（LEUI24）, Arginine 126（ARG126）, Glycine 127（GLY127）, Glycine 128（GLY128） and Tryptohan 148（TRP148） of OVA were occupied by tangeretin after the docking, which means tangeretin may have some inhibition effects. As the results of animal experiments, the amount of IgE and lung tissue sections of female BALB/c mice in different groups show that tangeretin with different concentrations has better effects than dexamethasone. In conclusion, the tangeretin may have the effects to reduce the allergic effects of OVA via occupying the IgE-binding epitopes of OVA.

关键词： Tangeretin Ovalbumin Interaction Epitope Conformation

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Discovering Dependence across Traffic Data of Disparate Regions Using Multiscale Generalized Correlation 2018

Discovering Dependence across Traffic Data of Disparate Regi...

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6th International Conference on Information Technology - IoT and Smart City (ICIT)

作者： Qiu, Dehong Zhang, Pin Fang, Shaohong Lang, xuwen feng, Hao Huazhong Univ Sci & Technol Sch Software Engn Wuhan Hubei Peoples R China Wuhan Coll Sch Informat Engn Wuhan Hubei Peoples R China

ISBN: (纸本)9781450366298

Deciphering potential associations between the traffic data of disparate regions is of great importance to urban traffic management. However, as the traffic data is structured, temporal and often high-dimensional, many traditional dependence testing approaches are not directly applicable. In this paper, we propose a new approach to test dependence between traffic data of disparate regions based on distance Correlation (dCorr) and Multiscale Generalized Correlation (MGC). The distance matrix between the structured traffic data of disparate regions is defined, which yields a consistent test statistic for testing dependence of traffic data. We conduct experiments on the real and simulated datasets. The results of our experiments demonstrate that the new approach can capture the complex dependence between the structured traffic data of disparate regions. Simultaneously, it requires a small number of samples and is computationally efficient.

关键词： Traffic management network dependence graph distance distance correlation multiscale generalized correlation

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In-Situ Transformed Ni, S-Codoped CoO from Amorphous Co-Ni Sulfide as an Efficient Electrocatalyst for Hydrogen Evolution in Alkaline Media

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ACS SUSTAINABLE CHEMISTRY & ENGINEERING 2019年第14期7卷 12501-12509页

作者： Lu, Wangting Li, xuwen Wei, feng Cheng, Kun Li, Wenhui Zhou, Youhua Zheng, Wanquan Pan, Lei Zhang, Geng Jianghan Univ Inst Interdisciplinary Res 8 Sanjiaohu Rd Wuhan 430056 Hubei Peoples R China Jianghan Univ Sch Chem & Environm Engn 8 Sanjiaohu Rd Wuhan 430056 Hubei Peoples R China Univ Paris Saclay Univ Paris Sud CNRS Inst Sci Mol Orsay F-91405 Orsay France Jianghan Univ Sch Life Sci 8 Sanjiaohu Rd Wuhan 430056 Hubei Peoples R China Huazhong Agr Univ Coll Sci Dept Chem 1 Shizishan St Wuhan 430070 Peoples R China

Amorphous materials have recently received much attention as catalysts for electrochemical reactions. However, there are relatively few reports focused on the structure change of amorphous catalysts during the catalysis process, although this is quite important to the identification of active species and in revealing the reaction mechanism. Herein, amorphous Co-Ni sulfide in the form of a nanoplate and nanowire hybrid on the surface of nickel foam is prepared as the electrode for the hydrogen evolution reaction (HER). During the hydrogen evolution process, the amorphous Co-Ni sulfide is in-situ transformed into crystalline Ni, S-co-doped CoO which is actually responsible for the catalysis of HER The transformation process is studied in detail by high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), and theoretical calculations. The in-situ formed electrode presents a high activity and durability toward HER in alkaline media. The Ni and S dopants, sulfurization temperature, and electrode substrate are revealed to be important factors that affect the activity. The present work will not only give more insights in the structure evolution of the electrocatalyst during HER but also provides a new strategy to the fabrication of new electrocatalysts.

关键词： Water splitting HER Amorphous material Oxide Doping

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Fast sulfurization of nickel foam-supported nickel-cobalt carbonate hydroxide nanowire array at room temperature for hydrogen evolution electrocatalysis

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ELECTROCHIMICA ACTA 2019年 318卷 252-261页

作者： Lu, Wangting Li, xuwen Wei, feng Cheng, Kun Li, Wenhui Zhou, Youhua Zheng, Wanquan Pan, Lei Zhang, Geng Jianghan Univ Inst Interdisciplinary Res Wuhan 430056 Hubei Peoples R China Jianghan Univ Sch Chem & Environm Engn Wuhan 430056 Hubei Peoples R China Univ Paris Saclay Univ Paris Sud Inst Sci Mol Orsay CNRS F-91405 Orsay France Jianghan Univ Sch Life Sci Wuhan 430056 Hubei Peoples R China Huazhong Agr Univ Coll Sci Dept Chem Wuhan 430070 Hubei Peoples R China

Transition metal sulfide is considered as a kind of promising noble metal-free material for hydrogen evolution reaction (HER). However, most of conventional sulfurization methods require high temperature and/or long reaction time. Herein, a sulfurization strategy at room temperature (25 degrees C) by using Na2S in aqueous solution is applied to sulfurize nickel foam-supported nickel-cobalt carbonate hydroxide nanowire array, during which amorphous sulfide gradually forms on the surface of nanowire and finally replaces the nanowire completely. It is found that the electrode sulfurized for 5 min in which only a thin sulfide layer is formed presents nearly identical catalytic performance for HER with the electrode that is sufficiently sulfurized for 120 min. The electrode sulfurized at 25 degrees C for 5 min only needs an overpotential of 100 mV to achieve hydrogen evolution current at 10 mA cm(-2) in 1 M KOH, and negligible loss of activity is observed after working at a current density of 20 mA cm(-2) for 25 h. The interface between carbonate hydroxide and sulfide is considered to play an important role in the catalysis of HER. The observation in this work can provide new insights into the sulfurization process and the role of sulfide in the process of HER. (C) 2019 Elsevier Ltd. All rights reserved.

关键词： HER Sulfide Amorphous Interface DFT

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Development of a Synthesis Process for a Novel HCV NS5A Inhibitor, Emitasvir

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ORGANIC PROCESS RESEARCH & DEVELOPMENT 2021年第4期25卷 838-848页

作者： Xie, Hongming Liu, Haiwang Zhang, Yingjun Huang, Enhuo feng, Yahui Xiang, xuwen Fang, Qinghong Peng, Zhihong Dong, Wanrong An, Delie Hunan Univ Coll Chem & Chem Engn State Key Lab Chemo Biosensing & Chemometr Changsha 410082 Hunan Peoples R China Sunshine Lake Pharma Co Ltd State Key Lab Antiinfect Drug Dev 2015DQ780357 Dongguan 523871 Peoples R China HEC Pharm Grp HEC Res & Dev Ctr Dongguan 523871 Peoples R China

A new approach to the synthesis of Emitasvir (DAG181), a small molecule hepatitis C virus (HCV) nonstructural protein 5A (NS5A) inhibitor, is described. Enantioselective enzymatic desymmetrization with hydrolases in the synthetical approach can significantly avoid the loss of chiral raw materials in the resolution process. The synthesis route is further optimized and scaled-up to establish a new process that is applied to the preparation of kilogram scales of target active pharmaceutical ingredients (APIs). Compared with our initial process, the overall yield of target API was dramatically improved from 17 to 40%.

关键词： hepatitis C virus inhibitor Emitasvir enantioselective synthesis process development

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热带海洋大气环境下道岔扣件关键零部件锈蚀机理研究

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高速铁路新材料 2025年第1期4卷 7-13页

作者：徐超王晨阳胡莲俊刘甜甜王玉婷张倩孙旭文冯博宇杨其全中国铁道科学研究院集团有限公司金属及化学研究所北京100081 海南铁路有限公司海口综合维修段海口570300 北京中铁科新材料技术有限公司北京100081

为分析热带海洋气候下道岔弹条和T型螺栓的锈蚀机理及影响因素,对海南岛某高铁线路上现场抽取的锈蚀扣件进行了宏观形貌观察,光学显微镜和扫描电子显微镜微观组织、锈蚀层的化学成分能谱和XRD物相检测分析。结果表明:高湿热、高盐雾气... 详细信息

为分析热带海洋气候下道岔弹条和T型螺栓的锈蚀机理及影响因素,对海南岛某高铁线路上现场抽取的锈蚀扣件进行了宏观形貌观察,光学显微镜和扫描电子显微镜微观组织、锈蚀层的化学成分能谱和XRD物相检测分析。结果表明:高湿热、高盐雾气候条件与微动磨损致防锈涂层脱落、缝隙腐蚀等服役条件综合作用于扣件表面,使某些部位发生了较快的电化学腐蚀,生成α-FeOOH、γ-FeOOH和Fe_(3)O_(4)等锈蚀产物,锈层为存在孔洞和缝隙的疏松组织,难以为基体提供有效保护。对于已经没有有效防腐涂层的服役扣件,应及时替换为具有更强结合力及抗腐蚀性能的涂覆工艺的扣件;在铁路巡检中应对扣件朝向地面及与垫板接触的隐蔽位置进行重点观测。

关键词：弹条 T型螺栓锈蚀机理影响因素热带海洋气候

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Strong positive allosteric cooperativity in ternary complexes based on hydrogen-bonded aromatic amide macrocycles

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CHEMICAL COMMUNICATIONS 2019年第33期55卷 4869-4872页

作者： Peng, Zhiyong Guo, xuwen Xu, Weitao Li, Jian Deng, Pengchi Xiao, Xin feng, Wen Yuan, Lihua Sichuan Univ Analyt & Testing Ctr Minist Educ Coll ChemKey Lab Radiat Phys & Technol Chengdu 610064 Sichuan Peoples R China Guizhou Univ Key Lab Macrocycl & Supramol Chem Guizhou Prov Guiyang 550025 Guizhou Peoples R China

Three new hydrogen-bonded aromatic amide macrocycles with eight residues were synthesized. The first single crystal structure of this class of larger macrocycles was obtained, which reveals a saddle-like conformation. Interestingly, in sharp contrast to previous negative cooperativity in binding paraquat with cyclo[6]aramide, strong positive allosteric cooperativity in ternary complexes was observed. This may open an avenue for the construction of mechanically interlocked molecules with these larger H-bonded macrocycles.

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Steroidal saponins from Allium chinense and their inhibitory effects on pancreatic lipase

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PHYTOCHEMISTRY LETTERS 2023年第1期55卷 22-29页

作者： Xie, Huili Shi, Xiaolei Wang, Bingzi Zhao, Dexin Sun, Zhiheng Chen, Yifu feng, Yuezhu Jin, Yongri Li, xuwen Jilin Univ Coll Chem Changchun 130012 Peoples R China Jilin Univ Coll Food Sci & Engn Changchun 130062 Peoples R China

Allium chinense *** is an important medicinal and edible homologous plant and indigenous to China and grown in other countries. Phytochemical studies have shown that it is rich in biologically active natural products. Herein, five new and twelve known steroidal saponins were isolated from the bulbs of Allium chinense ***. These compounds were structurally determined by analysis of their NMR, IR and HR-ESI-MS data. All isolates were evaluated for inhibition of porcine pancreatic lipase activity. Compounds 4, 7 and 10 exhibited potent inhibition of porcine pancreatic lipase. The relationship between structure and activity of these compounds is also investigated in this paper.

关键词： Allium chinense Steroidal saponins Extraction and isolation Structure identification Lipase inhibitory activity

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farPPI: a webserver for accurate prediction of protein-ligand binding structures for small-molecule PPI inhibitors by MM/PB(GB)SA methods

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BIOINFORMATICS 2019年第10期35卷 1777-1779页

作者： Wang, Zhe Wang, xuwen Li, Youyong Lei, Tailong Wang, Ercheng Li, Dan Kang, Yu Zhu, feng Hou, Tingjun Zhejiang Univ Coll Pharmaceut Sci Hangzhou 310058 Zhejiang Peoples R China Soochow Univ Inst Funct Nano & Soft Mat FUNSOM Suzhou 215123 Jiangsu Peoples R China Zhejiang Univ State Key Lab CAD&CG Hangzhou 310058 Zhejiang Peoples R China

Protein-protein interactions (PPIs) have been regarded as an attractive emerging class of therapeutic targets for the development of new treatments. Computational approaches, especially molecular docking, have been extensively employed to predict the binding structures of PPI-inhibitors or discover novel small molecule PPI inhibitors. However, due to the relatively undruggable' features of PPI interfaces, accurate predictions of the binding structures for ligands towards PPI targets are quite challenging for most docking algorithms. Here, we constructed a non-redundant pose ranking benchmark dataset for small-molecule PPI inhibitors, which contains 900 binding poses for 184 protein-ligand complexes. Then, we evaluated the performance of MM/PB(GB)SA approaches to identify the correct binding poses for PPI inhibitors, including two Prime MM/GBSA procedures from the Schrodinger suite and seven different MM/PB(GB)SA procedures from the Amber package. Our results showed that MM/PBSA outperformed the Glide SP scoring function (success rate of 58.6%) and MM/GBSA in most cases, especially the PB3 procedure which could achieve an overall success rate of approximate to 74%. Moreover, the GB6 procedure (success rate of 68.9%) performed much better than the other MM/GBSA procedures, highlighting the excellent potential of the GBNSR6 implicit solvation model for pose ranking. Finally, we developed the webserver of Fast Amber Rescoring for PPI Inhibitors (farPPI), which offers a freely available service to rescore the docking poses for PPI inhibitors by using the MM/PB(GB)SA methods. Availability and implementation farPPI web server is freely available at http://***/farppi/. Supplementary information Supplementary data are available at Bioinformatics online.

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