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PARTICLE SWARM OPTIMIZATION ON FLEXIBLE DOCKING

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International Journal of Biomathematics 2012年第5期5卷 187-201页

作者： YU LIU wentao LI RUIXIN ma School of Software Dalian University of Technology Dalian 116024 P. R. China

Molecular docking is an important tool in screening large libraries of compounds to determine the interactions between potential drugs and the target proteins. The molec- ular docking problem is how to locate a good conformation to dock a ligand to the large molecule. It can be formulated as a parameter optimization problem consisting of a scoring function and a global optimization method. many docking methods have been developed with primarily these two parts varying. In this paper, a variety of particle swarm optimization （PSO） variants were introduced to cooperate with the semiempir- ical free energy force field in AutoDock 4.05. The search ability and the docking accu- racy of these methods were evaluated by multiple redocking experiments. The results demonstrate that PSOs were more suitable than Lamarckian genetic algorithm （LGA）. Among all of the PSO variants, FIPS takes precedence over others. Compared with the four state-of-art docking methods-GOLD, DOCK, FlexX and AutoDock with LGA, AutoDock cooperated with FIPS is more accurate. Thus, FIPS is an efficient PSO vari- ant which has promising prospects that can be expected in the application to virtual screening.

关键词： AutoDock particle swarm optimization molecular docking.

Vacancy defect MoSeTe embedded in N and F co-doped carbon skeleton for high performance sodium ion batteries and hybrid capacitors

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Journal of Energy Chemistry 2024年第3期90卷 652-664,I0014页

作者： Dehui Yang wentao Guo Fei Guo Jiaming Zhu Gang Wang Hui Wang Guanghui Yuan Shenghua ma Beibei Wang State Key Laboratory of Photon-Technology in Western China Energy International Collaborative Center on Photoelectric Technology and Nano Functional MaterialsInstitute of Photonics&Photon-TechnologyNorthwest UniversityXi’an 710127ShannxiChina Key Laboratory of Synthetic and Natural Functional Molecule Chemistry(Ministry of Education) College of Chemistry&Materials ScienceNorthwest UniversityXi’an 710127ShannxiChina School of Chemistry and Chemical Engineering Ankang Research Centre of New Nano-materials Science and TechnologyShaanxi University Innovation Research Institute of Advanced Energy Storage Materials and Battery Technology for Future IndustrializationAnkang UniversityAnkang 725000ShannxiChina

Sodium-ion batteries(SIBs) and hybrid capacitors(SIHCs) have garnered significant attention in energy storage due to their inherent advantages,including high energy density,cost-effectiveness,and enhanced ***,developing high-performance anode materials to improve sodium storage performa nce still remains a major ***,a facile one-pot method has been developed to fabricate a hybrid of MoSeTe nanosheets implanted within the N,F co-doped honeycomb carbon skeleton(MoSeTe/N,F@C).Experimental results demonstrate that the incorporation of large-sized Te atoms into MoSeTe nanosheets enlarges the layer spacing and creates abundant anion vacancies,which effectively facilitate the insertion/extraction of Na^(+) and provide numerous ion adsorption sites for rapid surface capacitive ***,the heteroatoms N,F co-doped honeycomb carbon skeleton with a highly conductive network can restrain the volume expansion and boost reaction kinetics within the *** anticipated,the MoSeTe/N,F@C anode exhibits high reversible capacities along with exceptional cycle *** coupled with Na_(3)V_(2)(PO_(4))_(3)@C(NVPF@C) to form SIB full cells,the anode delivers a reversible specific capacity of 126 ma h g^(-1) after 100 cycles at 0.1 A g^(-1).Furthermore,when combined with AC to form SIHC full cells,the anode demonstrates excellent cycling stability with a reversible specific capacity of50 ma h g^(-1) keeping over 3700 cycles at 1.0 A g^(-1).In situ XRD,ex situ TEM characterization,and theoretical calculations(DFT) further confirm the reversibility of sodium storage in MoSeTe/N,F@C anode materials during electrochemical reactions,highlighting their potential for widespread practical *** work provides new insights into the promising utilization of advanced transition metal dichalcogenides as anode materials for Na^(+)-based energy storage devices.

关键词： MoSeTe N F co-doped honeycomb carbon skeleton Sodium-ion batteries Sodium-ion hybrid capacitor

Estimator with Forgetting Factor of Correntropy and Recursive Algorithm for Traffic Network Prediction 25th

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Estimator with Forgetting Factor of Correntropy and Recursiv...

Bias-Compensated Generalized Mixed Norm Algorithm via CIM Constraints for Sparse System Identification with Noisy Input

第25届中国控制与决策会议

作者： wentao ma Hua Qu Jihong Zhao School of Electronic and Information Engineering Xi'an Jiaotong University School of Telecommunication and information Engineering Xi'an University of Posts and Telecommunications

ISBN: (纸本)9781467355339

Correntropy as a new similarity function with its excellent property has been used for many case. It’s estimator as a computing tool of Correntropy in sense of mean value, this character has some defect for tracking time-varying parameters in some special case. Thus the estimator with forgetting factor of Correntropy （Correntropy-FF） is researched by us first in this paper. Correntropy-FF is as an estimator of Correntropy in sense of weight average. It can promise some important factor for effect of estimate results. A kind of recursive learning algorithm is deduced based on the Correntropy-FF as a cost function. In general, the current result is impacted by nearing it in the time varying system, so kernel function in Correntropy-FF playing this role as Correntropy. The simulation results on traffic network prediction indicate that the effective performance and available of the proposed algorithm.

关键词： Correntropy Forgetting factor Recursive learning Traffic network prediction

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Bias-Compensated Generalized Mixed Norm Algorithm via CIM Co...

第36届中国控制会议

作者： ma wentao ZHENG Dongqiao ZHANG Zhiyu Department of Electrical Engineering Xi’an University of Technology

A sparse bias-compensated least generalized mixed norm algorithm is developed for sparse system identification(SSI)with noisy *** I-norm and I-norm are mixed to define a novel cost function(called generalized mixed norm,GMN) for adaptive filtering algorithm(AFA) in system ***,a bias-compensated least GMN algorithm is proposed for the case that the input is corrupted by additive ***,we develop a novel sparsity aware AFA by combining BCLGMN and the correntropy induced metric for *** further provide computer simulation results that the proposed algorithm outperforms other well-known algorithms only employing single criterion for SSI under non-Gaussion noise environments,especially for the noise combined by long and short tail noise distributions or the impulsive noise.

关键词： Bias-Compensated generalized mixed norm correntropy induced metric sparse system identification

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河南省官方兽医队伍培训新模式探索

中国动物检疫 2024年第3期41卷 38-41页

作者：马文涛贾广敏樊英莉于辉常江刘洋班曼曼李杰如河南省动物检疫总站河南郑州450008 内乡县动物卫生监督所河南内乡474350

河南省聚焦官方兽医队伍培训工作,先后探索了实操练兵和检疫场景展示两种培训新模式,有力提升了官方兽医队伍的能力与水平。实操练兵模式是通过建立培训实操基地,利用理论学习与现场教学相结合的方式,对全省驻场官方兽医开展轮训;检疫... 详细信息

河南省聚焦官方兽医队伍培训工作,先后探索了实操练兵和检疫场景展示两种培训新模式,有力提升了官方兽医队伍的能力与水平。实操练兵模式是通过建立培训实操基地,利用理论学习与现场教学相结合的方式,对全省驻场官方兽医开展轮训;检疫场景展示是通过结合工作实际,整理出覆盖动物检疫各环节相关内容的场景命题,让官方兽医采用喜闻乐见的表演形式进行场景展示,现场模拟检疫过程,重点考查官方兽医的实操水平。本文梳理了这两种培训新模式的具体做法,总结分析了经验及成效。同时指出了应注意安全防护,加强与企业沟通,以及存在的对培训重视不足、对结果运用不理想等问题,由此提出了继续创新培训方式、完善实训基地建设、加大培训投入力度、加强培训结果运用等建议,以期为更好地开展官方兽医队伍培训工作提供参考。

关键词：官方兽医队伍培训成效分析河南省

A Novel Mouse Model of Primary Biliary Cirrhosis by Congenic Bile Duct Protein Immunization

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A Novel Mouse Model of Primary Biliary Cirrhosis by Congenic...

第十届全国免疫学学术大会

作者： wentao ma Hongdi ma Jingbo Yang Qingzhi Liu Zhexiong Lian Liver Immunology Laboratory Institute of Immunology and The CAS Key Laboratory of Innate Immunity and Chronic Disease School of Life Sciences and Medical Center University of Science and Technology of China

Background/Aim: Primary biliary cirrhosis(PBC) is a typical autoimmune liver disease with a high occurrence in middle-aged women. Histologically, it is characterized by progressive bile duct destruction, with portal lymphocyte infiltration, granulomas, and liver fibrosis. Serologically, 90%-95% PBC patients are positive for anti-mitochondrial antibodies. Clinically, most PBC patients would miss the most proper diagnosis time because of the asymptomatic stage at first. Accordingly, a comprehensive mechanism of PBC is in need urgently. However, patient samples are hard to get, researchers have been dedicated on making an ideal mouse model for easier investigation. Several mouse models are now used to clarify the pathogenesis of PBC but few centered on how the immune tolerance is broken down. Methods: we got a new mouse model of PBC by immunizing female mice with congenic bile duct protein. Results: We found congenic bile duct antigens would efficiently break down the immune tolerance of recipient mice, leading to a phenotype similar with PBC patients. First, our mouse model showed bile duct damage, with inflammation focused of portal tracts. Moreover, flow cytometry analysis demonstrated higher number of CD4+ and CD8+ T cells in the liver and spleen, and these T cells exhibited an activated phenotype. Furthermore, the IFN-γ secreting ability of these T cells was more potent in these immunized mice. Then, we found these mice had greater germinal center reaction ability. At last, we analyzed the anti-mitochondrial antibodies in these mice, and found they are 100% positive for Ama. Conclusion: we defined a novel mouse model of PBC, which would provide help in elucidating the detailed mechanism of this complex disease.

关键词： Bile duct protein Primary biliary cirrhosis Mouse model

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奶山羊乳房炎诊断与防治策略

畜牧兽医杂志 2024年第4期43卷 106-110页

作者：杜向鹏高士孔项艳龙王占刚倪思璐解雁飞马文涛神木市畜牧业发展中心陕西神木719300 西北农林科技大学动物医学院陕西杨凌712100

奶山羊乳房炎是奶山羊养殖中最为常见的疾病,主要是由病原微生物、物理、化学等因素引起。大多数情况下该病虽不会引起奶山羊的死亡,但会对奶山羊健康、泌乳量以及乳品质造成严重的影响,大大降低企业的经济效益。目前在奶山羊乳房炎防... 详细信息

奶山羊乳房炎是奶山羊养殖中最为常见的疾病,主要是由病原微生物、物理、化学等因素引起。大多数情况下该病虽不会引起奶山羊的死亡,但会对奶山羊健康、泌乳量以及乳品质造成严重的影响,大大降低企业的经济效益。目前在奶山羊乳房炎防治中最为棘手的问题是:1.隐性乳房炎发病率高,筛选困难;2.病原微生物对抗生素表现出高的耐药性;3.目前尚无商品化奶山羊乳房炎疫苗。近年来,国内外学者针对以上防治难点做出了大量的研究,本文从奶山羊乳房炎的流行情况、诊断及治疗三个方面进行探讨,旨在为奶山羊乳房炎的防控提供参考。

关键词：奶山羊乳房炎治疗诊断防控

基于不同重建算法的容积再现成像在诊断鼻区线性骨折中的差异研究

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CT理论与应用研究（中英文） 2024年第5期33卷 609-618页

作者：鲁新亮陶建华马文涛康天良刘丹丹张永县牛延涛刘云福首都医科大学附属北京同仁医院放射科北京100730

目的:探索最佳的容积再现成像(VR)重建算法,以提高对鼻区线性骨折的诊断效能。方法:回顾性纳入2022年8月至2023年8月的成人鼻骨CT影像资料,随机选取100例鼻区线性骨折和35例无骨折患者,分别行平滑算法(Smooth)、标准算法(Standard)、锐... 详细信息

目的:探索最佳的容积再现成像(VR)重建算法,以提高对鼻区线性骨折的诊断效能。方法:回顾性纳入2022年8月至2023年8月的成人鼻骨CT影像资料,随机选取100例鼻区线性骨折和35例无骨折患者,分别行平滑算法(Smooth)、标准算法(Standard)、锐利算法(Sharp)、骨算法(Bone)的VR后处理。两名放射医师以双盲法对VR有无骨折、鼻骨孔显示及图像质量进行评分。采用相同协议对CT质控模体进行扫描,并测量不同重建算法模体图像的噪声功率谱(NPS),任务传递函数(TTF)和可检测性指数(d′)。结果:医师对鼻区线性骨折的诊断效能在VR_Standard、VR_Sharp和VR_Bone之间存在差异,VR_Sharp的鼻骨孔显示评分高于VR_Standard,并且VR_Sharp的图像质量评分高于VR_Standard和VR_Bone;随着重建算法锐利程度的增加,噪声量和空间分辨力逐渐增加;Standard组、Sharp组和Bone组的NPS峰值和TTF_(50%)分别为(225.85 HU^(2)·mm^(2),0.42),(416.67 HU^(2)·mm^(2),0.53)和(1888.20 HU^(2)·mm^(2),0.8)。当待测目标直径为1 mm时,Sharp组的值最高。结论:VR_Sharp对鼻区线性骨折的诊断效能最佳,能更好的发挥VR在辅助诊断中的价值。

关键词：体层摄影术鼻骨线性骨折容积再现

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通货膨胀不确定性及其对宏观经济的影响

中南财经政法大学学报 2010年第2期 9-14页

作者：马文涛西安交通大学经济与金融学院陕西西安710061

利用马尔科夫范式转换模型分析了1985年1月到2009年7月我国通货膨胀的状态转换特征,并考察了与之伴随的不确定性及其对我国主要宏观经济变量的影响,发现通货膨胀不确定性仅对消费波动有显著影响,对投资和净出口的影响不显著,且方差不确... 详细信息

利用马尔科夫范式转换模型分析了1985年1月到2009年7月我国通货膨胀的状态转换特征,并考察了与之伴随的不确定性及其对我国主要宏观经济变量的影响,发现通货膨胀不确定性仅对消费波动有显著影响,对投资和净出口的影响不显著,且方差不确定性和均值不确定性分别导致了消费波动增大与减小。通货膨胀不确定性凸显了宏观调控的重要性,积极、有效、透明的政策能够减少消费所面临的不确定性,保证居民消费的稳定和可持续增长,将有助于扩大内需,促进我国经济增长。

关键词：通货膨胀马尔科夫范式转换宏观经济波动