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Journal of Natural Gas Chemistry 2007年第4期16卷 428-436页

作者： renqing lu zuogang cao guoping shen College of Chemistry and Chemical Engineering China University of Petroleum （East China） Dongying 257061 Shandong China

The Hartree-Fock and DFT/B3LYP methods have been employed to investigate the electronic structures of 1-ethyl-3-methyl-imidazolium cation （EMIM＋）, BF4^-, PF6^-, EMIM＋BF4^-, and EMIM＋-PF6^- using the Gaussian-94 soft-package at 6-31＋G（d,p） basis set level for hydrogen, carbon, nitrogen, boron, phosphorus, and fluorine atoms. Comparison of the electronic structures of the lowest energy of EMIM＋- BF4^- and EMIM＋-PF6^- pairs, and single EMIM＋, BF4^- and PF6^- showed that the optimized EMIM＋-BF4^- and EMIM＋-PF6^- pair conformers were BF4^- and PF6^- outside the 5-ring plane between the ethyl group and the methyl group. The cohesion of C H. … F hydrogen bond between cation and anion is reinforced by charge assistance. The interaction energy between EMIM＋ and PF6 is 328.8 kJ/mol at the B3LYP level and 326.6 kJ/mol at the Hartree-Fock level, whereas that between EMIM＋ and BF4 is 353.5 kJ/mol at the B3LYP level and 350.5 kJ/mol at the Hartree-Fock level. The low energy interactions caused by bulky asymmetric EMIM＋, and charge dispersion of cation and anion give rise to the low melting point of ionic liquid EMIM＋-BF4^- and EMIM＋-PF6^-. The two hydrogen bonding models of single hydrogen bond formation, and the hydrogen transfer between C2 in EMIM＋ and F in BF4^- or PF6^- were principally depicted.

关键词： Hartree-Fock density functional theory ionic liquid EMIM+ PF6^- BF4^-

Ab Initio Calculation of Room Temperature Ionic Liquid 1-Ethyl-3-Methyl-Imidazolium and AlCl_3

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China Petroleum Processing & Petrochemical Technology 2007年第3期9卷 51-56页

作者： lu renqing cao zuogang shen guoping College of Chemistry and Chemical Engineering China University of Petroleum （East China） Dongying 257061

The Hartree-Fock method has been employed to investigate the electronic structures of EMIM＋（1- ethyl-3-methylimidazolium＋）, AlCl4^-, and EMIM＋-AlCl4^-. Full optimization and frequency analyses of EMIM＋, AlCl4^-, ten initial EMIM＋-AlCl4^- geometries have been carried out using the Gaussian-94 soft-package at 6- 31＋G（d,p） basis set level for hydrogen, carbon, nitrogen, chlorine, and aluminum atoms. The electronic structures of the lowest energy of EMIM＋-AlCl4^-pairs, single EMIM^＋, and AlCl4^- have been comparatively studied. The calculated results showed that the optimized EMIM^＋-AlCl4^-pair conformer of lowest energy was AlCl4^-outside the five-ring plane between methyl group and ethyl group with a H6--C122 distance of 2.7 A. The frequency analyses suggested that all stationary points were minimum points because of no imaginary frequency appearing, and the assigned frequencies were in agreement with experimental report. The interaction energy between EMIM^＋ and AlCl4^-was 776.2 kJ/mol.

关键词： ionic liquid Hartree-Fock method 1-ethyl-3-methylimidazolium AlCl3

The Density Functional Study of Thiophene Adsorption on Zeolite Clusters

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China Petroleum Processing & Petrochemical Technology 2007年第1期9卷 47-52页

作者： lue renqing cao zuogang shen guoping College of Chemistry and Chemical Engineering China University of Petroleum （East China） Dongying 257061

The density functional theory and the cluster model methods have been employed to investigate the interactions between thiophene and the HZSM-5 zeolites. The molecular complexes formed by the adsorption of thiophene on silanol H3SiOH with two coordination forms, and the model Brrnsted acid sites of zeolite cluster H3Si（OH）AI（OH）2SiH3 upon the interaction with thiophene have been comparatively studied. Full optimization and frequency analysis of all cluster models have been carried out using the B3LYP hybrid method at 6-31G basis level for hydrogen atoms and 6-31＋G（d） basis set level for silicon, aluminum, oxygen, carbon, and sulfur atoms. The calculated results showed that the nature of interactions leading to the formation of the zeolite cluster-thiophene and silanol-thiophene complexes was associated with the van der Waals force confirmed by a slight change of geometric structures and properties. Thiophene is adsorbed on bridging hydroxyl group prior to silanol OH group judging from the magnitude of adsorption heat. The cluster model calculation reproducing the experimental prediction to form the experimental adsorption spectra of thiophene in HZSM-5 zeolite has illustrated the validity of the proposed adsorption models.

关键词： density functional theory thiophene ZSM-5 zeolite model cluster

Reduced clinical severity during 2022 Shanghai Spring epidemic of SARS-CoV-2 omicron BA.2 variant infection——an integrated account of virus pathogenicity and vaccination effectiveness

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National Science Review 2024年第4期11卷 24-27页

作者： Xingyue Wu Yao Chen Kangli cao Yao shen Xueling Wu Yilin Yang Zhongshu Kuang Qingrun Li Zhenzhen lu Yichen Jia Mian Shao Guorong Gu Xiangwei Wang Ye Yao Ying Wang Shaodie Chen Zhigao Yu Wei Wei Longfei Ding lulu Lan Tianwen Gu Xiangyu Long Jian Sun Lingyu Xing Jiayuan shen Yi Han Yue luo Sucheng Mu Mengna Lin Xiaoyan Zhang Rong Zeng Jianqing Xu guoping Zhao Lihong Huang Zhenju Song Department of Emergency Medicine Clinical Center for Bio-Therapy Department of Biostatistics and Department of UrologyShanghai Key Laboratory of Lung Inflammation and Injury Zhongshan Hospital Fudan University Department of Respiratory and Critical Care Medicine Shanghai Pudong Hospital Fudan University Department of Pulmonology Renji Hospital Shanghai Jiao Tong University School of Medicine Key Laboratory of Systems Biology Center for Excellence in Molecular Cell Science Shanghai Institute of Biochemistry and Cell Biology Chinese Academy of Sciences Shanghai Public Health Clinical Center Fudan University Department of Biostatistics School of Public Health Key Laboratory of Public Health Safety of Ministry of Education and Shanghai Institute of Infectious Disease and Biosecurity School of Public Health Fudan University Shanghai Institute of Immunology Department of Immunology and Microbiology Shanghai Institute of Virology Key Laboratory of Cell Differentiation and Apoptosis of Chinese Ministry of EducationSchool of Medicine Shanghai Jiao Tong University State Key Laboratory of Genetic Engineering Fudan Microbiome CenterSchool of Life Sciences Fudan University Bio-Med Big Data Center Shanghai Institute of Nutrition and Health Chinese Academy of Sciences

The emergence of SARS-Co V-2 variant of concern omicron BA.2 led to high infection incidence rates as well as reduced severity of COVID-19 during the Shanghai Spring epidemic of 2022 [1]. We assessed the role of viral pathogenicity and the effectiveness of inactivated vaccines in a retrospective observational study including 10 258 confirmed COVID-19cases identified between April and June of 2022, from four COVID-19 designated hospitals located in two areas of Shanghai, namely the West Bund and the East Bund, where the populations’ demographic characteristics varied significantly (Table S1, Fig. S1).

关键词： REPLICATION

Utility of the Surgical Apgar Score in pancreatic cancer and modification

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Laparoscopic, Endoscopic and Robotic Surgery 2019年第4期2卷 89-93页

作者： guoping Ding Liangjing Zhou Wenchao Chen Zhengrong Wu Tao shen Liping cao Department of General Surgery Sir Run Run Shaw HospitalZhejiang University School of MedicineHangzhou 310016China

Objectives:The Surgical Apgar Score(SAS)can predict the incidence of complications in different surgical ***,it is rarely studied in pancreatic *** aim of the present study was to assess the predictive value of the SAS in pancreatic ductal adenocarcinoma(PDAC),and then propose a modified SAS which was more suitable for pancreatic cancer *** and methods:A prospective cohort study of 160 PDAC patients was *** primary endpoint was 30-day major *** SAS was calculated as *** overall discriminatory power of the score was analyzed using receiver operating characteristic curves and the area under the curve(AUC)with respect to major complications or ***:It showed a significant predictive value of SAS in major complications or death in PDAC(p=0.020,AUC=0.606),especially in complication of pneumonia(p=0.022)and pleural effusion(p=0.023).In addition,the SAS exert significant predictive value in distal pancreatectomy group,but it has a weak predictive value for pancreaticoduodenectomy *** multivariable analyses,occurrence of major postoperative complications was associated with lowest mean arterial pressure,estimated blood loss and operative ***,as a characteristic of SAS,lowest heart rate was not *** modified SAS we proposed including lowest mean arterial pressure,estimated blood loss and operative time increased AUC from 0.606 to ***:The SAS can be a simple,rapid scoring system that effectively predicts major postoperative ***,the modified SAS we proposed in this study,which included lowest mean arterial pressure,estimated blood loss and operative time,exert a better predictive value in PDAC patients.

关键词： Surgical Apgar Score Pancreatic cancer Prognosis

Effect of Various Alumina Powders on Properties of Castables

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China's Refractories 2022年第2期31卷 45-48页

作者： SONG Yanan WEI guoping CHEN Qin SHUAI Hang LIU Guangping shen Mingke CHEN Yaosheng YU Yan WANG Yulong cao Yaping Zhejiang Zili Advanced Materials Co. Ltd.Shaoxing 312300China Zhejiang Zili High Temperature Technology Co. Ltd.Shaoxing 312300China

To satisfy the requirements of alumina castables in specific environment and enhance their properties,alumina castables were prepared using tabular alumina,various alumina powders(07RAL,15RA,22RABL,40CA,99-20um,and 99-325mesh),and calcium aluminate cement as main raw materials,and heat treating at 110,1000,1600℃,*** flowability and physical properties were tested,and the morphology was *** results show that compared with calcined alumina and tabular alumina powders,reactive alumina has higher specific surface area and better filling performance leading to lower water demand and higher viscosity,and the castables prepared with reactive alumina have higher CCS and CMOR after heat treating at 110,1000 and 1600℃as well as lower PLC than those with calcined alumina and tabular alumina powders.

关键词： alumina powder castables rheological property construction time sintering performance

3-对甲基苯基-4-氨基-5-(2-喹啉基)-1,2,4-三氮唑及其Fe(Ⅱ)配合物的合成

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南京工业大学学报（自然科学版） 2014年第3期36卷 115-118页

作者：曹栋泳沈国平郦斌沈旋朱敦如南京工业大学化学化工学院江苏南京210009

根据分子设计的原理,以2-喹啉甲酰肼为起始原料,经三步反应合成了1个新的三取代-1,2,4-三氮唑配体3-对甲基苯基-4-氨基-5-(2-喹啉基)-1,2,4-三氮唑(L),产率为74.7%,配体L经熔点、红外光谱(FT-IR)、核磁共振氢谱(1H NMR)、电喷雾质谱(ESI... 详细信息

根据分子设计的原理,以2-喹啉甲酰肼为起始原料,经三步反应合成了1个新的三取代-1,2,4-三氮唑配体3-对甲基苯基-4-氨基-5-(2-喹啉基)-1,2,4-三氮唑(L),产率为74.7%,配体L经熔点、红外光谱(FT-IR)、核磁共振氢谱(1H NMR)、电喷雾质谱(ESI-MS)和元素分析表征。用配体L与Fe(Ⅱ)离子反应,制备了配合物[FeL2(NCS)2](1),对其进行了红外和元素分析表征。

关键词：三氮唑 Fe(Ⅱ)配合物光谱表征

Methyltransferase Dnmt3a upregulates HDAC9 to deacetylate TBK1 for activation of antiviral innate immunity

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Methyltransferase Dnmt3a upregulates HDAC9 to deacetylate TB...

第十一届全国免疫学学术大会

作者： Li Xia Zhang Qian Ding Yuanyuan Liu Yiqi Zhao Dezhi Zhao Kai shen Qicong Liu Xingguang Zhu Xuhui Li Nan Cheng Zhongyi Fan guoping Wang Qingqing cao Xuetao Institute of Immunology Zhejiang University School of Medicine National Key Laboratory of Medical Molecular Biology & Department of Immunology Institute of Basic Medical Sciences Peking Union Medical College Chinese Academy of Medical Sciences National Key Laboratory of Medical Immunology & Institute of Immunology Second Military Medical University Advanced Translational Medicine Institute Tongji University Department of Human Genetics David Geffen School of Medicine University of California Los Angeles

Background:Epigenetic regulation of innate immunity needs further ***3a,a de novo DNA methyltransferase,is highly expressed in terminally differentiated macrophages,however,its role in innate immunity remains ***:To i... 详细信息

关键词： Methyltransferase TBK1 HDAC9 deacetylation type I interferon

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腹腔镜胆囊癌根治术的临床疗效分析

中华普通外科杂志 2022年第5期37卷 339-343页

作者：陈晶云丁国平梁霄沈波曹利平浙江大学医学院附属邵逸夫医院普外科杭州310016

目的:探讨腹腔镜胆囊癌根治术治疗胆囊癌的可行性及临床疗效。方法:回顾性分析2013年1月至2019年12月于浙江大学医学院附属邵逸夫医院普外科行根治性切除术的247例胆囊癌患者的临床资料,通过倾向性评分匹配后54例纳入腹腔镜组,103例纳... 详细信息

目的:探讨腹腔镜胆囊癌根治术治疗胆囊癌的可行性及临床疗效。方法:回顾性分析2013年1月至2019年12月于浙江大学医学院附属邵逸夫医院普外科行根治性切除术的247例胆囊癌患者的临床资料,通过倾向性评分匹配后54例纳入腹腔镜组,103例纳入开腹组。比较两组患者的临床病理学资料、术中情况和术后近远期结果。结果:与开腹组相比,腹腔镜组的术中出血量更少[100(50,200)ml比200(100,300)ml, Z=4.105, P0.05)。结论:腹腔镜胆囊癌根治术疗效与开腹手术具有可比性,且术中出血更少,术后恢复更快。

关键词：胆囊肿瘤预后根治性切除术腹腔镜

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中药灵芝使用的起源考古学

科学通报 2018年第13期63卷 1180-1188页

作者：袁媛王亚君孙国平王烨然曹丽娟沈岳明袁冰韩东黄璐琦中国中医科学院中药资源中心北京100700 国家纳米科学中心北京100190 浙江省文物考古研究所杭州310014 中国中医科学院中国医史文献研究所北京100700

通过实地考察,从浙江3个新石器时期遗址中共发现了5份疑似史前灵芝样本(G1~G5),且均出土于文化层灰坑.经^(14)C放射性同位素质谱分析,证实田螺山遗址出土的G1样本距今约6817±44年,余杭南湖遗址出土的G2样本距今约5379±59年,千金塔地... 详细信息

通过实地考察,从浙江3个新石器时期遗址中共发现了5份疑似史前灵芝样本(G1~G5),且均出土于文化层灰坑.经^(14)C放射性同位素质谱分析,证实田螺山遗址出土的G1样本距今约6817±44年,余杭南湖遗址出土的G2样本距今约5379±59年,千金塔地遗址出土的G5样本距今约4508±50年,分别属于河姆渡早期和良渚文化时期.经环境扫描电子显微镜和光学显微镜观测,根据担孢子表观形态鉴定G1~G5样本为担子菌纲灵芝属真菌.河姆渡是中华文明的发祥地之一,史前灵芝与双鸟木雕头饰、玉器等巫用文物一起出土,推测当时巫已经在使用灵芝.史前灵芝样本的发现将人类使用灵芝的时间从汉朝推进到距今6800年,伴随着早期农业的形成,人们对具有灵芝外观的真菌进行了持续的探索和利用.

关键词：担孢子中药起源本草考古新石器时期