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Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2

Protein & Cell 2020年第7期11卷 505-517页

作者： Lu Zhang Yao Zha Ruogu gao Jun Li Xiuna Yang Yan gao Wei Zhao Sudagar S.Gurcha Natacha Veerapen Sarah M.Batt Kajelle Kaur Besra Wenqing Xu Lijun Bi Xian'en Zhang Luke W.Guddat Haitao Yang Quan Wang Gurdyal S.Besra zihe Rao State Key Laboratory of Medicinal Chemical Biology College of Life Sciences and College of PharmacyNankai UniversityTianjin 300353China Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology ShanghaiTech UniversityShanghai 201210China CAS Center for Excellence in Molecular Cell Science Shanghai Institute of Biochemistry and Cell BiologyChinese Academy of Sciences(CAS)Shanghai 200031China University of Chinese Academy of Sciences Beijing 100101China National Laboratory of Biomacromolecules and Key Laboratory of RNA Biology CAS Center for Excellence in BiomacromoleculesInstitute of BiophysicsCASBeijing 100101China Laboratory of Structural Biology Tsinghua UniversityBeijing 100084China School of Biosciences Institute of Microbiology and InfectionUniversity of BirminghamBirmingham B152TTUK School of Chemistry and Molecular Biosciences The University of QueenslandBrisbaneQLD 4072Australia

Inhibition of Mycobacterium tuberculosis(Mtb)cell wall assembly is an established strategy for anti-TB *** EmbB,which catalyzes the transfer of arabinose from the donor decaprenyl-phosphate-arabinose(DPA)to its arabinosyl acceptor is an essential enzyme for Mtb cell wall *** of drug resistance mutations suggests that EmbB is the main target of the front-line anti-TB drug,***,we report the cryo-EM structures of Mycobacterium smegmatis EmbB in its"resting state"and DPA-bound"active state".EmbB is a fifteen-transmembrane-spanning protein,assembled as a *** protomer has an associated acyl-carrier-protein(AcpM)on their cytoplasmic ***-mational changes upon DPA binding indicate an asym-metric movement within the EmbB dimer during *** studies have identified critical residues in substrate recognition and catalysis,and demonstrated that ethambutol inhibits transferase activity of EmbB by competing with *** structures represent the first step directed towards a rational approach for anti-TB drug discovery.

关键词： Mycobacterium tuberculosis EmbB cryo-EM ethambutol cell wall synthesis arabinoglacatan arabinosyltransferase acyl-carrier-protein drug discovery

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Discovery of carbon-based strongest and hardest amorphous material

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National Science Review 2022年第1期9卷 25-35页

作者： Shuangshuang Zhang zihe Li Kun Luo Julong He Yufei gao Alexander V.Soldatov Vicente Benavides Kaiyuan Shi Anmin Nie Bin Zhang Wentao Hu Mengdong Ma Yong Liu Bin Wen Guoying gao Bing Liu Yang Zhang Yu Shu Dongli Yu Xiang-Feng Zhou Zhisheng Zhao Bo Xu Lei Su Guoqiang Yang Olga P.Chernogorova Yongjun Tian Center for High Pressure Science (CHiPS) State Key Laboratory of Metastable Materials Science and Technology Yanshan University Key Laboratory for Microstructural Material Physics of Hebei Province School of Science Yanshan University Department of Engineering Sciences and Mathematics Lule a University of Technology Department of Physics Harvard University Center for High Pressure Science and Technology Advanced Research Department of Materials Science Saarland University Key Laboratory of Photochemistry Institute of Chemistry University of Chinese Academy of Sciences Baikov Institute of Metallurgy and Materials Science Russian Academy of Sciences

Carbon is one of the most fascinating elements due to its structurally diverse allo tropic forms stemming from its bonding varieties(sp,sp~2 and sp~3).Exploring new forms of carbon has been the eternal theme of scientific ***,we report on amorphous(AM) carbon materials with a high fraction of sp~3 bonding recovered from compression of fullerene C60 under high pressure and high temperature,previously *** of photoluminescence and absorption spectra demonstrates that they are semiconducting with a bandgap range of 1.5-2.2 eV,comparable to that of widely used AM *** mechanical tests demonstrate that synthesized AM-Ⅲ carbon is the hardest and strongest AM material known to date,and can scratch diamond crystal and approach its *** produced AM carbon materials combine outstanding mechanical and electronic properties,and may potentially be used in photovoltaic applications that require ultrahigh strength and wear resistance.

关键词： amorphous carbon ultrahard ultrastrong semiconductor phase transition

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Cryo-EM structures of a prokaryotic heme transporter CydDC

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Protein & Cell 2023年第12期14卷 919-923页

作者： Chen Zhu Yanfeng Shi Jing Yu Wenhao Zhao Lingqiao Li Jingxi Liang Xiaolin Yang Bing Zhang Yao Zhao Yan gao Xiaobo Chen Xiuna Yang Lu Zhang Luke W.Guddat Lei Liu Haitao Yang zihe Rao Jun Li Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology ShanghaiTech UniversityShanghai 201210China National Clinical Research Center for Infectious Disease Shenzhen Third People's HospitalShenzhen 518112China Laboratory of Structural Biology Tsinghua UniversityBeijing 100084China State Key Laboratory of Medicinal Chemical Biology Nankai UniversityTianjin 300353China Innovative Centerfor Pathogen Research Guangzhou LaboratoryGuangzhou 510005China School of Chemistry and Molecular Biosciences The University of QueenslandBrisbaneQLD 4072Australia

DearEditor,Heme is an essential cofactor required across all kingdoms of life utilized in numerous biological processes,including cellular *** is a prokaryotic ATP-binding cassette(ABC)transporter required for heme assembling in respiratory cytochrome bd oxidase(Georgiou et al.,1987;Poole et al.,1989),a promising target for drug discovery(Borisov et al.,2011).CydDC is thought to play a role in maintaining an optimum periplasmic redox poise that is required for the incorporation of heme cofactors(Yamashita et al.,2014).It also suggested that CydDC is involved in heme processing by mediating glutathione/cysteine translocation(Cook and Poole,2000;Cook et al.,2002),although a role in heme translocation seems unlikely(Yamashita et al.,2014).To date,CydDC has been shown to be important for disulfide bond formation,motility,respiration,and tolerance to nitric oxide and antibiotics(Poole et al.,2019).

关键词： utilized disulfide Poole

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Multithreaded Conductive Carbon:1D Conduction in 3D Carbon

Multithreaded Conductive Carbon:1D Conduction in 3D Carbon

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中国晶体学会第六届学术年会暨会员代表大会（极端条件晶体材料分会）

作者： Yilong Pan Meng Hu Mengdong Ma zihe Li Yufei gao Mei Xiong Guoying gao Zhisheng Zhao Yongjun Tian Julong He State Key Laboratory of Metastable Materials Science and Technology Yanshan University

Carbon possesses various allotropes with diverse electronic properties from insulation to conduction due to the sp,sp,and spbonding ***,a new sp-spcarbon allotrope,called C,is *** a lilac-like structure with a cage-li...

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基于联合典型变量矩阵的多阶段发酵过程质量相关故障监测

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化工学报 2022年第3期73卷 1300-1314页

作者：高学金何紫鹤高慧慧齐咏生北京工业大学信息学部北京100124 计算智能与智能系统北京市重点实验室北京100124 内蒙古工业大学电力学院内蒙古呼和浩特010051

为考虑发酵过程的质量变量和动态特征对于阶段划分的影响,提出了一种基于联合典型变量矩阵的多阶段发酵过程质量相关故障监测方法。首先,将历史三维数据沿批次方向展开,对每个时间片矩阵进行典型相关分析(canonical correlation analysi... 详细信息

为考虑发酵过程的质量变量和动态特征对于阶段划分的影响,提出了一种基于联合典型变量矩阵的多阶段发酵过程质量相关故障监测方法。首先,将历史三维数据沿批次方向展开,对每个时间片矩阵进行典型相关分析(canonical correlation analysis,CCA),得到融合过程变量和质量变量信息的联合典型变量矩阵,对其进行K均值聚类,实现基于静态特征的第1步划分;然后采用慢特征分析(slow feature analysis,SFA)算法提取表征过程动态性的慢特征,对其进行聚类实现第2步划分。最后综合分析两步划分结果,将生产过程划分为不同的稳定阶段和过渡阶段,并在划分的子阶段中分别建立CCA监测模型进行质量相关故障监测。该方法通过静态和动态特征的变化实现两步划分,准确区分强动态变化与阶段切换,有效提高质量相关的故障监测模型精度。青霉素仿真平台与大肠杆菌实际生产数据验证了所提方法的可行性和有效性。

关键词：发酵间歇式多阶段联合典型变量矩阵典型相关分析故障监测算法

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进展期结直肠癌术后腹腔热灌注化疗对机体免疫功能的影响

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解放军医学院学报 2019年第5期40卷 412-416页

作者：刘帛岩李松岩杨宇张红亮滕达刘逸尘许晓蕾李宇轩邢晓伟何长征高子贺朱圣宇王玉峰杜晓辉解放军总医院第一医学中心普通外科北京100853 南开大学医学院天津300071 解放军总医院第一医学中心住院管理科北京100853

目的探讨进展期结直肠癌患者手术后腹腔热灌注化疗的安全性及其对机体免疫功能的影响。方法回顾性分析2017年9月1日-2018年6月30日解放军总医院第一医学中心普通外科132例结直肠癌患者的临床资料。所有患者均接受了腹腔镜辅助结直肠癌... 详细信息

目的探讨进展期结直肠癌患者手术后腹腔热灌注化疗的安全性及其对机体免疫功能的影响。方法回顾性分析2017年9月1日-2018年6月30日解放军总医院第一医学中心普通外科132例结直肠癌患者的临床资料。所有患者均接受了腹腔镜辅助结直肠癌根治术。其中57例在术后接受了腹腔热灌注化疗(热灌注组),75例仅接受了手术治疗(对照组)。比较两组术前术后炎性因子、T淋巴细胞水平及围术期指标。结果术前两组患者性别、年龄、体质量指数(body mass index,BMI)、ASA分级、肿瘤位置、肿瘤浸润深度、TNM分期及住院期间是否输血等基本资料差异均无统计学意义,TNF-α、CRP、IL-6、淋巴细胞比例均在正常范围值之内,且差异无统计学意义。术后两组炎性因子指标均明显升高,并随着时间逐渐下降。术后第3天和第7天分别行第1次和第3次热灌注治疗后,热灌注组的炎性指标(TNF-α、CRP、IL-6)及CD8+T细胞比例显著高于对照组,CD3^+及CD4^+T细胞比例、CD4^+与CD8^+T细胞比值低于对照组(P均<0.05)。热灌注组的首次排气时间及首次进流食时间长于对照组(P均<0.05)。结论腹腔热灌注化疗会延缓患者术后胃肠功能的恢复,并使外周血炎性因子升高,也会影响患者的免疫状态,对于适应证的把控应当更为严格。

关键词：结直肠癌腹腔热灌注化疗炎性因子免疫功能

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Heat-treated glassy carbon under pressure exhibiting superior hardness,strength and elasticity

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Journal of Materiomics 2021年第1期7卷 177-184页

作者： Meng Hu Shuangshuang Zhang Bing Liu Yingju Wu Kun Luo zihe Li Mengdong Ma Dongli Yu Lingyu Liu Yufei gao Zhisheng Zhao Yoshio Kono Ligang Bai Guoyin Shen Wentao Hu Yang Zhang Ralf Riedel Bo Xu Julong He Yongjun Tian Center for High Pressure Science(CHiPS) State Key Laboratory of Metastable Materials Science and TechnologyYanshan UniversityQinhuangdao066004China Fachbereich Material-und Geowissenschaften Technische Universitat DarmstadtOtto-Berndt-Str.3Darmstadt64287Germany Key Laboratory for Microstructural Material Physics of Hebei Province School of ScienceYanshan UniversityQinhuangdao066004China High Pressure Collaborative Access Team(HPCAT) Advanced Photon SourceArgonne National LaboratoryIL60639USA Institute of High Energy Physics Chinese Academy of ScienceBeijing100049China

Glassy carbon(GC)is a type of non-graphitizing disordered carbon material at ambient pressure and high temperatures,which has been widely used due to its excellent mechanical *** we report the changes in the microstructure and mechanical properties of GC treated at high pressures(up to 5 GPa)and high *** formation of intermediate sp2-sp3 phases is identified at moderate treatment temperatures before the complete graphitization of GC,by analyzing synchrotron X-ray diffraction,Raman spectra,and transmission electron microscopy *** intermediate metastable carbon materials exhibit superior mechanical properties with hardness reaching up to 10 GPa and compressive strength reaching as high as 2.5 GPa,nearly doubling those of raw GC,and improving elasticity and thermal *** synthesis pressure used in this study can be achieved in the industry on a commercial scale,enabling the scalable synthesis of this type of strong,hard,and elastic carbon materials.

关键词： Glassy carbon Industrially achievable pressure sp2-sp3 intermediate carbon Hardness Strength Elasticity

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车路视觉协同的高速公路防碰撞预警算法

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中国图象图形学报 2020年第8期25卷 1649-1657页

作者：蔡创新高尚兵周君黄子赫淮阴工学院计算机与软件工程学院淮安223001 江苏省物联网移动互联技术工程实验室淮安223001

目的基于视觉的前车防碰撞预警技术是汽车主动安全领域的一个重要研究方向,其中对前车进行快速准确检测并建立稳定可靠的安全距离模型是该技术亟待解决的两个难点。为此,本文提出车路视觉协同的高速公路防碰撞预警算法。方法将通过图像... 详细信息

目的基于视觉的前车防碰撞预警技术是汽车主动安全领域的一个重要研究方向,其中对前车进行快速准确检测并建立稳定可靠的安全距离模型是该技术亟待解决的两个难点。为此,本文提出车路视觉协同的高速公路防碰撞预警算法。方法将通过图像处理技术检测出来的视频图像中的车道线和自车的行驶速度作为输入,运用安全区实时计算算法构建安全距离模型,在当前车辆前方形成一块预警安全区域。采用深度神经网络YOLOv3(you only look once v3)对前车进行实时检测,得到车辆的位置信息。根据图像中前车的位置和构建的安全距离模型,对可能发生的追尾碰撞事故进行预测。结果实验结果表明,重新训练的YOLOv3算法车辆检测准确率为98.04%,提出算法与马自达CX-4的FOW(forward obstruction warning)前方碰撞预警系统相比,能够侧向和前向预警,并提前0.8 s发出警报。结论本文方法与传统的车载超声波、雷达或激光测距的防碰撞预警方法相比,具有较强的适用性和稳定性,预警准确率高,可以帮助提高司机在高速公路上的行车安全性。

关键词：前防碰撞预警安全距离模型车道线检测车辆实时检测 YOLOv3

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High-throughput screening of SARS-CoV-2 main and papain-like protease inhibitors

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Protein & Cell 2023年第1期14卷 17-27页

作者： Yi Zang Mingbo Su Qingxing Wang Xi Cheng Wenru Zhang Yao Zhao Tong Chen Yingyan Jiang Qiang Shen Juan Du Qiuxiang Tan Peipei Wang Lixin gao Zhenming Jin Mengmeng Zhang Cong Li Ya Zhu Bo Feng Bixi Tang Han Xie Ming-Wei Wang Mingyue Zheng Xiaoyan Pan Haitao Yang Yechun Xu Beili Wu Leike Zhang zihe Rao Xiuna Yang Hualiang Jiang Gengfu Xiao Qiang Zhao Jia Li The National Center for Drug Screening Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China State Key Laboratory of Drug Research and CAS Key Laboratory of Receptor Research Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China School of Pharmaceutical Science and Technology Hangzhou Institute for Advanced StudyUCASHangzhou 310024China School of Chinese Materia Medica Nanjing University of Chinese MedicineNanjing 210023China University of Chinese Academy of Sciences Beijing 100049China State Key Laboratory of Virology Wuhan Institute of VirologyCenter for Biosafety Mega-ScienceChinese Academy of SciencesWuhan 430071China Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology ShanghaiTech UniversityShanghai 201210China CAS Center for Excellence in Biomacromolecules Chinese Academy of SciencesBeijing 100101China Zhongshan Branch the Institute of Drug Discovery and DevelopmentChinese Academy of SciencesGuangdong 528400China

The global COVID-19 coronavirus pandemic has infected over 109 million people,leading to over 2 million deaths up to date and still lacking of effective drugs for patient ***,we screened about 1.8 million small molecules against the main protease(M^(pro))and papain like protease(PL^(pro)),two major proteases in severe acute respiratory syndrome-coronavirus 2 genome,and identified 1851M^(pro)inhibitors and 205 PL^(pro)inhibitors with low nmol/l activity of the best *** these inhibitors,eight small molecules showed dual inhibition effects on both M^(pro)and PL^(pro),exhibiting potential as better candidates for COVID-19 *** best inhibitors of each protease were tested in antiviral assay,with over 40%of M^(pro)inhibitors and over 20%of PL^(pro)inhibitors showing high potency in viral inhibition with low *** X-ray crystal structure of SARS-CoV-2 M^(pro)in complex with its potent inhibitor 4a was determined at 1.8Å*** with docking assays,our results provide a comprehensive resource for future research on anti-SARS-CoV-2 drug development.

关键词： high-throughput screening SARS CoV-2 main papain-like proteases

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视觉协同的违规驾驶行为分析方法

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智能系统学报 2021年第6期16卷 1158-1165页

作者：高尚兵黄子赫耿璇臧晨沈晓坤淮阴工学院计算机与软件工程学院江苏淮安223001 淮阴工学院江苏省物联网移动互联技术工程实验室江苏淮安223001

本文针对危险驾驶识别中主流行为检测算法可靠性差的问题,提出了一种快速、可靠的视觉协同分析方法。对手机、水杯、香烟等敏感物体进行目标检测,提出的LW(low weight)-Yolov4(You only look once v4)通过去除CSPDarknet53(cross stage ... 详细信息

本文针对危险驾驶识别中主流行为检测算法可靠性差的问题,提出了一种快速、可靠的视觉协同分析方法。对手机、水杯、香烟等敏感物体进行目标检测,提出的LW(low weight)-Yolov4(You only look once v4)通过去除CSPDarknet53(cross stage partial Darknet53)卷积层中不重要的要素通道提升了检测速度,并L1正则化产生稀疏权值矩阵,添加到BN(batch normalization)层的梯度中,实现优化网络模型的目的;提出姿态检测算法对驾驶员指关节关键点进行检测,经过仿射逆变换得到原始帧中的坐标;通过视觉协同分析对比敏感物品的检测框位置与驾驶员手部坐标是否重合,判定驾驶员是否出现违规驾驶行为及类别。实验结果表明,该方法在识别精度与检测速度方面均优于主流的算法,能够满足实时性和可靠性的检测要求。

关键词：驾驶行为识别模型剪枝目标检测姿态估计协同检测模型优化深度学习卷积神经网络

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