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Norm-conserving pseudopotentials and basis sets optimized for lanthanide molecules and solid-state compounds

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Norm-conserving pseudopotentials and basis sets optimized fo...

Can Rh exist formal oxidation state IX? A quantum chemical investigation of RhO4+

中国化学会第五届全国核化学与放射化学青年学术研讨会

作者： jun-bo lu jun Li Department of Chemistry and Key Laboratory of Organic Optoelectronics ＆ Molecular Engineering of the Ministry of Education Tsinghua University

＜正＞We optimized pseudopotential and basis set parameters for all lanthanide elements using the relativistic, norm-conserving, separable, dual-space Gaussian-type pseudopotentials of Goedecker, Teter and Hutter （GTH） by the generalized gradient approximation （GGA） with an exchange-correlation functional of Perdew, Burke and Ernzerhof （PBE）.

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Can Rh exist formal oxidation state IX? A quantum chemical i...

Curcumin in gastric cancer treatment:A commentary on mechanistic insights and future directions

第七届全国物理无机化学学术会议

作者： jun-bo lu jun Li Department of Chemistry and Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education Tsinghua University

＜正＞Oxidation state is one of the most important concepts in chemistry,which is defined as the formal charge of an atom when all bonded atoms are viewed as in a purely ionic form.[1]The synthesis of compounds with unusual high and low oxidation states,continue to pose interesting challenges in *** highest oxidation state of any chemical element is IX in,which has been identified by matrix-isolation

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World Journal of Gastrointestinal Oncology 2025年第1期17卷 265-267页

作者： Xin-Yue Wei Wen-bo Cao Sai-jun Mo Zhi-Yan Sun Department of Pathophysiology School of Basic Medical SciencesZhengzhou UniversityZhengzhou 450001Henan ProvinceChina School of Basic Medical Science Zhengzhou UniversityZhengzhou 450001Henan ProvinceChina Department of Basic Science of Oncology School of Basic Medical SciencesZhengzhou UniversityZhengzhou 450001Henan ProvinceChina Department of Special Service No.988 Hospital of the Joint Service Support Force of PLAZhengzhou 450042Henan ProvinceChina

The study by Yang et al presents a comprehensive investigation into the thera-peutic potential of curcumin for gastric cancer(GC).Using network pharma-cology,the researchers identified 48 curcumin-related genes,31 of which overlap with GC *** genes,including ESR1,EGFR,CYP3A4,MAPK14,CYP1A2,and CYP2B6,are linked to poor survival in GC *** docking con-firmed strong binding affinity of curcumin to these *** vitro experiments demonstrated that curcumin effectively inhibits the growth and proliferation of BGC-823,suggesting its therapeutic potential in GC through multiple targets and pathways.

关键词： Curcumin Gastric cancer Network pharmacology Mechanism of action In vitro experiments

Long-term toxicity study of rHuIFN-α_B in Beagle dogs

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中国药理学与毒理学杂志 1991年第4期5卷 272-272页

作者： YUAN bo-jun, lu Guo-Cai, LIU jun-Ping, ZHANG Shu-Ying,GU Chang-Hong, FANG Yu-Qiang, GUO Feng-Chuan Division of Antimalarial Drug, Second Military Medical University, Shanghai 200433, China

According to the provisions for new biological agents, the long-term toxicity of human recombinant interferon-αB （rHuIFN-αB） was investigated in Beagle dogs for 3 months. Beagle dogs were randomly divided into high dosage group (im rHuIFN-αB 5×107 U·m-2·d-1, n=6),low dosage group (im rHuIFN-αB 5×106 U·m-2·d-1, n=4) and control group （im saline, n=4）. Dosage used in treated groups was 50 and 5

关键词： B in Beagle dogs Long-term toxicity study of rHuIFN

De novo synthesis of atropisomeric benzofurans via Cu/SPDO complex catalyzed asymmetric formal [3 + 2] annulation

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Science China Chemistry 2025年第01期 174-180页

作者： Fan-Xiao Meng Xing-Yu Wang Ka lu Ju-Song Yang Fu-Min Zhang Ai-jun Ma Bao Du Yong-Qiang Tu State Key Laboratory of Applied Organic Chemistry College of Chemistry and Chemical Engineering Lanzhou University School of Chemistry and Chemical Engineering Shanghai Jiao Tong University School of Biotechnology and Health Sciences Wuyi University

Herein, the de novo synthesis of atropisomeric benzofurans through the Cu/spirocyclic-pyrrolidine-oxazoline(SPDO) complex catalyze asymmetric formal [3 + 2] cycloaddition between quinones and ynamides is explored, producing a range of structurally diverse axially chiral benzofurans in satisfactory yields with good to excellent enantioselectivities. Furthermore, density functional theory calculations were applied to explain the possible reaction mechanism.

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Activin A receptor type 1C single nucleotide polymorphisms associated with esophageal squamous cell carcinoma risk in Chinese population

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World Journal of Gastrointestinal Oncology 2025年第1期17卷 39-51页

作者： Si-Yun Lin Hou Huang Jin-Jie Yu Feng Su Tian Jiang Shao-Yuan Zhang lu Lv Tao Long Hui-Wen Pan jun-Qing Qi Qiang Zhou Wei-Feng Tang Guo-Wen Ding Li-Ming Wang Li-Jie Tan jun Yin Department of Thoracic Surgery Zhongshan Hospital Affiliated to Fudan UniversityShanghai 200032China Shanghai Key Laboratory of Clinical Geriatric Medicine Huadong Hospital Affiliated to Fudan UniversityShanghai 200040China Department of Cardiothoracic Surgery The Affiliated People's Hospital of Jiangsu UniversityZhenjiang 212002Jiangsu ProvinceChina Department of Thoracic Surgery Sichuan Cancer Hospital&InstituteChengdu 610042Sichuan ProvinceChina Department of Cardiothoracic Surgery Nanjing Drum Tower HospitalThe Affiliated Hospital of Nanjing University Medical SchoolNanjing 210000Jiangsu ProvinceChina Department of Respiratory and Critical Care Medicine Shanghai Xuhui Central HospitalShanghai 200032China

BACKGROUND Transforming growth factor-β(TGF-β)superfamily plays an important role in tumor progression and *** A receptor type 1C(ACVR1C)is a TGF-βtype I receptor that is involved in tumorigenesis through binding to dif-ferent *** To evaluate the correlation between single nucleotide polymorphisms(SNPs)of ACVR1C and susceptibility to esophageal squamous cell carcinoma(ESCC)in Chinese Han *** In this hospital-based cohort study,1043 ESCC patients and 1143 healthy controls were *** SNPs(rs4664229,rs4556933,rs77886248,rs77263459,rs6734630)of ACVR1C were assessed by the ligation detection reaction ***-Weinberg equilibrium test,genetic model analysis,stratified analysis,linkage disequi-librium test,and haplotype analysis were *** Participants carrying ACVR1C rs4556933 GA mutant had significantly decreased risk of ESCC,and those with rs77886248 TA mutant were related with higher risk,especially in older male *** the haplotype analysis,ACVR1C Trs4664229Ars4556933Trs77886248Crs77263459Ars6734630 increased risk of ESCC,while Trs4664229Grs4556933Trs77886248Crs77263459Ars6734630 was associated with lower susceptibility to *** ACVR1C rs4556933 and rs77886248 SNPs were associated with the susceptibility to ESCC,which could provide a potential target for early diagnosis and treatment of ESCC in Chinese Han population.

关键词： Activin A receptor type 1C Single nucleotide polymorphisms Esophageal squamous cell carcinoma Genetic susceptibility Hospital-based cohort study

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双壁波纹钢管混凝土构件短柱轴压力学性能

哈尔滨工业大学学报 2025年第1期57卷 56-64页

作者：路博崔燕方勇王玉银李豪哈尔滨工业大学土木工程学院哈尔滨150090 结构工程灾变与控制教育部重点实验室(哈尔滨工业大学) 哈尔滨150090 深圳市市政设计研究院有限公司广东深圳518029

为改善空心钢筋混凝土柱(HRC)的使用与受力性能,提出一种双壁波纹钢管混凝土(CFDCST)构件。本文共进行了4个大尺寸双壁波纹钢管混凝土短柱与2个空心钢筋混凝土短柱的轴压试验,关键试验参数为试件类型与波纹钢管类型。分析构件的破坏模式... 详细信息

为改善空心钢筋混凝土柱(HRC)的使用与受力性能,提出一种双壁波纹钢管混凝土(CFDCST)构件。本文共进行了4个大尺寸双壁波纹钢管混凝土短柱与2个空心钢筋混凝土短柱的轴压试验,关键试验参数为试件类型与波纹钢管类型。分析构件的破坏模式,对比不同参数下构件的承载力、峰值应变、延性系数等关键力学指标,获得荷载-波纹钢管应变关系曲线以揭示试件的约束机理并验证外波纹钢管类型的影响。试验结果表明:外波纹钢管可为夹层混凝土提供约束作用,且螺旋角越小,外波纹钢管的约束作用越强;内波纹钢管则主要为夹层混凝土内壁提供有效支撑,以保持截面的完整性。名义约束效应系数与空心率相近时,由于咬口滑移影响,大螺旋角双壁波纹钢管混凝土比小螺旋角双壁波纹钢管混凝土的峰值应力、峰值应变与延性系数分别降低15.5%、21.8%与16.7%。在总用钢量相近的情况下,小螺旋角双壁波纹钢管混凝土柱的承载力、峰值应变与延性系数分别比空心钢筋混凝土柱提高10.6%、36.2%与50.0%。基于试验结果,检验了3种典型承载力公式的适用性,并提出了相应设计建议。

关键词：组合结构空心钢筋混凝土波纹钢管双壁构件约束机理

FDA证明生物类似药与参照药可互换的考虑要点

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中国新药杂志 2017年第15期26卷 1767-1772页

作者：胡晓敏宗英高晨燕王海学夏玉叶朱江波袁伯俊陆国才王庆利国家食品药品监督管理总局药品审评中心北京100038 第二军医大学卫生毒理学教研室上海200433 苏州华测生物技术有限公司苏州215300

生物类似药是指在质量、安全性和有效性方面与已获准注册的参照药具有相似性的治疗用生物制品。要做到生物类似药与参照药具有可互换性,FDA要求必须在已进行生物类似药研究的基础上,进一步证明患者使用候选产品后能得到与参照药相同的... 详细信息

生物类似药是指在质量、安全性和有效性方面与已获准注册的参照药具有相似性的治疗用生物制品。要做到生物类似药与参照药具有可互换性,FDA要求必须在已进行生物类似药研究的基础上,进一步证明患者使用候选产品后能得到与参照药相同的临床结果,即在多次替换或交替用药后的安全性和疗效降低的风险不大于仅用参照药时。FDA于2017年1月发布了生物类似药可互换性指南草案——"证明与参照药品可互换性的考虑",要求对生物类似药的可互换性提供相关数据,重点是临床试验的设计和数据解析。草案对临床试验的研究终点、临床试验方案的设计、研究人群、试验条件、给药途径、适应证外推等多方面提出了建议。

关键词：生物类似药可互换性候选可互换产品参照药技术要求

Novel Evaluation Method of Vehicle Suspension Performance Based on Concept of Wheel Turn Center

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Chinese Journal of Mechanical Engineering 2015年第5期28卷 935-944页

作者： WANG bo GUAN Hsin lu Pingping ZHAN jun State Key Laboratory of Automobile Simulation and Control Jilin University

The current research of suspension performance evaluation is mixed in the evaluation of vehicle handling and ride comfort. However, it is lack of a direct and independent evaluation method for suspension performance. In this paper, a novel wheel turn center method is proposed to evaluate the suspension performance. This method is based on the concept and application of wheel turn center （WTC） and sprung mass turn center （SPTC）. The vehicle body and each wheel are regarded to be independent rigid bodies and have their own turn centers which reflect respective steering motions and responses. Since the suspension is the link between vehicle body and wheels, the consistence between the sprung mass turn center and the wheel turn center reflects the effect and performance of the suspension system. Firstly, the concept and appropriate calculation method of WTC and SPTC are developed. Then the degree of inconsistence between WTC and SPTC and the time that they achieve consistence, when the vehicle experiences from transient steering to steady steering state, are proposed to evaluate suspension performance. The suspension evaluation tests are conducted under different vehicle velocities and lateral accelerations by using CarSim software. The simulation results show that the inconsistence of steering motion between vehicle body and wheels are mainly at high speeds and low lateral accelerations. Finally, based on the proposed evaluation indexes, the influences of different suspension characteristic parameters on suspension performance and their matches to improve steering coordination are discussed. The proposed wheel turn center method provides a guidance and potential application for suspension evaluation and optimization.

关键词： suspension evaluation wheel turn center sprung mass turn center