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Application of the Clustering Method in Molecular Dynamics Simulation of the Diffusion Coefficient

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Journal of Ocean University of China 2008年第1期7卷 43-47页

作者： liu qingzhi HU Yangdong College of Chemistry and Chemical Engineering Ocean University of China Qingdao 266100 P. R. China

Using molecular dynamics (MD) simulation, the diffusion of oxygen, methane, ammonia and carbon dioxide in water was simulated in the canonical NVT ensemble, and the diffusion coefficient was analyzed by the clustering method. By comparing to the conventional method (using the Einstein model) and the differentiation-interval variation method, we found that the results ob- tained by the clustering method used in this study are more close to the experimental values. This method proved to be more reason- able than the other two methods.

关键词： clustering molecular simulation diffusion coefficient oxygen methane ammonia carbon dioxide

ZmCER1,a putative ECERIFERUM 1 protein in maize,functions in cuticular wax biosynthesis and bulliform cell development

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The Crop Journal 2024年第3期12卷 743-752页

作者： Yan Zhao qingzhi liu Xueran Wang Weixiao Zhang Wei Xu Yongzhong Zhang Baoshen liu College of Agronomy Shandong Agricultural UniversityTai’an 271018ShandongChina Qingdao Academy of Agricultural Sciences Qingdao 266100ShandongChina

The cuticular wax,acting as the ultimate defense barrier,is essential for the normal morphogenesis of plant *** this importance,the connection between wax composition and leaf development has not been thoroughly *** this study,we characterized a new maize mutant,ragged leaf4(rgd4),which exhibits crinkled and ragged leaves starting from the sixth leaf *** phenotype of rgd4 is conferred by ZmCER1,which encoding an aldehyde decarbonylase involved in wax ***1 function deficient mutant displayed reduced cuticular wax density and disordered bulliform cells(BCs),while ZmCER1 overexpressing plants exhibited the opposite effects,indicating that ZmCER1 regulates cuticular wax biosynthesis and BCs ***,as the density of cuticular wax increased,the water loss rate of detached leaf decreases,suggesting that ZmCER1 is positively correlated with plant drought tolerance.

关键词： Ragged leaf ZmCER1 Cuticular wax Bulliform cells

The Ontology of Biological and Clinical Statistics （OBCS）-based statistical method standardization and meta-analysis of host responses to yellow fever vaccines

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Frontiers of Electrical and Electronic Engineering in China 2017年第4期5卷 291-301页

作者： Jie Zheng Huan Li qingzhi liu Yongqun He Department of Genetics University of Pennsylvania Perelman School of Medicine Philadelphia PA 19104 USA Health Science Center Shenzhen'University.Shenzhen 518000 China Department of Mathematics University of Maryland College Park MD 20742 USA Unit for Laboratory Animal Medicine University of Michigan Medical School Ann Arbor MI 48109 USA Department of Microbiology and Immunology University-of Michigan Medical School Ann Arbor MI 48109 USA Center for Computational Medicine and Bioinformatics University of Michigan Medical School Ann Arbor MI 48109 USA Comprehensive Cancer Center University of Michigan Medical School Ann Arbor MI 48109 USA

Background： The community-based Ontology of Biological and Clinical Statistics （OBCS） represents and standardizes biological and clinical data and statistical methods. Methods： Both OBCS and the Vaccine Ontology （VO） were used to ontologically model various components and relations in a typical host response to vaccination study. Such a model was then applied to represent and compare three microarray studies of host responses to the yellow fever vaccine YF-17D. A literature meta-analysis was then conducted to survey yellow fever vaccine response papers and summarize statistical methods, using OBCS. Results： A general ontological model was developed to identify major components in a typical host response to vaccination. Our ontology modeling of three similar studies identified common and different components which may contribute to varying conclusions. Although these three studies all used the same vaccine, human blood samples, similar sample collection time post vaccination, and microarray assays, statistically differentially expressed genes and associated gene functions differed, likely due to the differences in specific variables （e.g., microarray type and human variations）. Our manual annotation of 95 papers in human responses to yellow fever vaccines identified 38 data analysis methods. These statistical methods were consistently represented and classified with OBCS. Eight statistical methods not available in existing ontologies were added to OBCS. Conclusions： The study represents the first single use case of applying OBCS ontology to standardize, integrate, and use biomedical data and statistical methods. Our ontology-based meta-analysis showed that different experimental results might be due to different experimental assays and conditions, sample variations, and data analysis methods.

关键词： OBCS ontology vaccine host response to vaccination statistical data analysis

De novo synthesis of bifunctional conjugated microporous polymers for synergistic coordination mediated uranium entrapment

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Nano Research 2021年第3期14卷 788-796页

作者： Boxuan Yu Lei Zhang Gang Ye qingzhi liu Jiongli Li Xudong Wang Jing Chen Shengming Xu Shengqian Ma Collaborative Innovation Center of Advanced Nuclear Energy Technology Institute of Nuclear and New Energy TechnologyTsinghua UniversityBeijing100084China Beijing Institute of Graphene Technology Beijing100094China Beijing Institute of Aeronautical Materials Beijing100085China Department of Chemistry University of South Florida4202 E.Fowler AvenueTampaFL33620USA Beijing Key Lab of Radioactive Waste Treatment Tsinghua UniversityBeijing100084China College of Chemistry and Pharmaceutical Sciences Qingdao Agricultural UniversityQingdao266109China

This work reports a de novo synthesis of novel bifunctional conjugated microporous polymers(CMPs)exhibiting a synergistic-effect involved coordination behavior to *** is highlighted that the synthetic strategy enables the engineering of the coordination environment within amidoxime functionalized CMP frameworks by specifically introducing ortho-substituted amino functionalities,enhancing the affinity to uranyl ions via forming synergistic *** CMPs exhibit high Brunauer-Emmett-Teller(BET)surface area,well-developed three-dimensional(3D)networks with hierarchical porosity,and favorable chemical and thermal stability because of the covalently cross-linked *** with the amino-free counterparts,the adsorption capacity of bifunctional CMPs was increased by almost 70%,from 105 to 174 mg/g,indicating evidently enhanced binding ability to ***,new insights into coordination mechanism were obtained by in-depth X-ray photoelectron spectroscopy(XPS)analysis and density functional theory(DFT)calculation,suggesting a dominant role of the oxime ligands forming a 1:1 metal ions/ligands(M/L)coordination model with uranyl ions while demonstrating the synergistic engagement of the amino functionalities via direct binding to uranium center and hydrogen-bonding involved secondary-sphere *** work sheds light on the underlying principles of ortho-substituted functionalities directed synergistic effect to promote the coordination of amidoxime with uranyl *** the synthetic strategy established here would enable the task-specific development of more novel CMP-based functional materials for broadened applications.

关键词： conjugated microporous polymers uranium adsorption synergistic coordination density functional theory

The Chemokine Receptor CXCR3 Inhibits Autoimmune Cholangitis via CD8+ T Cells but Promotes Colitis via CD4+ T Cells

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The Chemokine Receptor CXCR3 Inhibits Autoimmune Cholangitis...

A Mouse Model of Autoimmune Cholangitis via Syngeneic Bile Duct Protein Immunization

第十三届全国免疫学学术大会

作者： qingzhi liu University of Science and Technology of China South China University of Technology

CXC Chemokine Receptor 3(CXCR3), a receptor for the C-X-C motif chemokines(CXCL) CXCL9, CXCL10, and CXCL11, which not only plays a role in chemotaxis, but also regulates differentiation and development of memory and effector T cell populations. Herein we explored the function of CXCR3 in the modulation of different organ-specific autoimmune diseases in IL-2 receptor deficiency(CD25

关键词： Autoimmune Cholangitis CD4+ T cells CD8+ T cells Colitis CXCR3 IFN-γ IL-17A PD-1

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A Mouse Model of Autoimmune Cholangitis via Syngeneic Bile D...

A Novel Multiuser Detector for LDPC-Coded DS-UWB Space Formation Flying

第十二届全国免疫学学术大会

作者： liu qingzhi Lian Zhexiong University of Science and Technology of China South China University of Technology

Backgroud:Primary biliary cholangitis(PBC)is an autoimmune liver disease characterized by the destruction of interlobular biliary ductules,which progressively leads to cholestasis,hepatic fibrosis,cirrhosis,and eventu... 详细信息

关键词： Primary biliary cholangitis bile duct protein T cell

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A Novel Multiuser Detector for LDPC-Coded DS-UWB Space Forma...

基于区间估计法的隧道监测数据统计特征分析及预留变形量研究

作者： Bo Ma qingzhi liu Zhilu Wu Xu Jiang School of Electronics and Information Engineering Harbin Institute of Technology China Spacesat Co.Ltd.

Space formation flying has attracted a lot of attention *** this paper,we using direct-sequence ultra-wideband（DS-UWB） as the physical layer of inter-spacecraft *** traditional multiuser detection method like soft-input soft-output（SISO） cost too much *** proposed multiuser detector no longer uses interleaving,and the computational complexity has a linear relationship with the number of *** bit error ratio（BER） simulation result shows that the proposed method approaches the single-user system with increasing signal-to-noise ratios（SNRs）.

关键词： Space formation flying Multiuser detection DS-UWB SISO

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现代隧道技术 2020年第1期57卷 142-147,161页

作者：刘庆丰刘庆志中铁开发投资集团有限公司昆明650118 云南省交通运输厅工程质量监督局昆明650214

针对玉楚高速公路隧道变形量值分布范围及预留变形量的问题,文章采用区间估计方法,选取了14座隧道471个断面的监控量测数据,进行不同围岩级别、埋深下的规律统计分析。基于监测数据的统计学特征表明:隧道埋深增大时,其变形也增大,Ⅳ级... 详细信息

针对玉楚高速公路隧道变形量值分布范围及预留变形量的问题,文章采用区间估计方法,选取了14座隧道471个断面的监控量测数据,进行不同围岩级别、埋深下的规律统计分析。基于监测数据的统计学特征表明:隧道埋深增大时,其变形也增大,Ⅳ级围岩隧道较Ⅴ级围岩变形量值要大(与支护强度有关),需重视Ⅳ级围岩的变形与控制;Ⅳ级、Ⅴ级围岩隧道变形在40 d左右时趋于稳定,建议在开挖历时40 d后施作衬砌。同时,对于Ⅳ级围岩隧道,埋深小于50 m时,建议预留变形量为17 cm;埋深50~300 m时,建议首先提高初期支护强度,预留变形量可设为50 cm;对于V级围岩隧道,埋深小于50 m时,建议预留变形量为18 cm;埋深50~300 m时,建议预留变形量为32 cm。

关键词：公路隧道预留变形量统计分析拱顶下沉周边收敛监控量测

Dosimetric evaluation of VMAT radiation therapy technique for breast cancer after conservative surgery based on three different types of multileaf collimators

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Oncology and Translational Medicine 2018年第5期4卷 208-214页

作者： Fuli Zhang Weidong Xu Huayong Jiang Yadi Wang Junmao Gao qingzhi liu Radiation Oncology Department Chinese PLA Army General Hospital

Objective Radiotherapy combined with conservative surgery plays an important role in the treatment of early-stage breast cancer. Volumetric modulated arc therapy(VMAT) has been introduced into clinical practice. The purpose of this study was to investigate the dosimetric effects of different multileaf collimators(MLC) on VMAT radiotherapy plans for treating breast *** Fifteen breast cancer patients who were treated using a conventional technique in our department were selected to participate in this retrospective analysis. VMAT plans based on three types of Elekta MLCs [Beam Modulator(BM) with 4-mm leaf width, Agility with 5-mm leaf width and MLCi2 with 10-mm leaf width] were independently generated for each patient. Plan comparisons were performed based on dose-volume histogram(DVH) analysis including dosimetric parameters such as the homogeneity index(HI), conformity index(CI), Dmax, Dmin, and Dmean for the planning treatment volume(PTV), in addition to dose-volume parameters for the organs at risk(OARs). The delivery efficiency of the three types of MLCs was compared in terms of the beam delivery time and the monitor units(MUs) per fraction for each plan. Results Both target uniformity and conformity were improved in plans for Agility and BM MLC compared with the plan using MLCi2. The mean HI decreased from 1.14 for MLCi2 to 1.13 for BM and 1.10 for Agility, while the mean CI increased from 0.68 for MLCi2 to 0.73 for BM and 0.75 for Agility. Furthermore, at both low and high dose levels, smaller volumes of ipsilateral lung, heart, contralateral lung, and breast were irradiated with Agility MLC than with the other two types of MLCs. The delivery time with Agility MLC was reduced by 10.8% and 32.1%, respectively, compared with that for MLCi2 and *** Our results indicate that the Agility MLC exhibits a dosimetric advantage and a significant improvement in delivery efficiency for the treatment of breast cancer using VMAT.

关键词： multileaf collimator leaf width volumetric modulated arc therapy (VMAT) breast cancer agility MLCi2 beam modulator (BM)