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A modified multi-reference second order perturbation theory

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中国科学：化学英文版 2010年第4期53卷 933-939页

作者： li anyang1, HAN Huixian2, suo bingbing3, wang yubin3 & wen zhenyi3 1Institute of Computational chemistry, Chongqing university of Post and Telecommunications, Chongqing 400065, china 2.11} of Physics, northwest university, xi’ an 710069, china 3Institute of Modern Physics, northwest university, xi’ an 710069, china Institute of Computational chemistry Chongqing University of Post and Telecommunications Chongqing China department of Physics Northwest University Xi’ an China Institute of Modern Physics Northwest University Xi’ an China

A new scheme with extended model space is proposed to improve the calculation of multi-reference second order perturbation theory (MRPT2.. The new scheme preserves the concise code structure of the original program, and avoids intruder states in constructions of the potential energy surface, which is confirmed by a series of comparable calculations. The new MRPT2.program is an available tool for the research of molecular excited states and electronic spectrum.

关键词： perturbation theory multi-reference intruder state

Prohibitin 1 inhibits cell proliferation and induces apoptosis via the p53-mediated mitochondrial pathway in vitro

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World Journal of Gastrointestinal Oncology 2024年第2期16卷 398-413页

作者： Juan-Juan Shi Yi-Kai wang Mu-Qi wang Jiang Deng Ning Gao Mei {2. Ya-Ping {2. xin Zhang xiao-{2. Jia xiong-Tao {2.u Shuang-suo Dang wen-Jun wang department of Infectious Diseases The Second Affiliated Hospital of Xi’an Jiaotong UniversityXi'an 710004Shaanxi ProvinceChina department of Operating Room The Second Affiliated Hospital of Xi’an Jiaotong UniversityXi'an 710004Shaanxi ProvinceChina

BACKGROUND Prohibitin 1(PHB1)has been identified as an antiproliferative protein that is highly conserved and ubiquitously expressed,and it participates in a variety of essential cellular functions,including apoptosis,cell cycle regulation,prolifera-tion,and *** evidence indicates that PHB1 may play an important role in the progression of hepatocellular carcinoma(HCC).However,the role of PHB1 in HCC is *** To investigate the effects of PHB1 on the proliferation and apoptosis of human HCC cells and the relevant mechanisms in *** HCC patients and healthy individuals were enrolled in this study according to the inclusion and exclusion criteria;then,PHB1 levels in the sera and liver tissues of these participates were determined using EliSA,RT-PCR,and *** HepG2.and SMMC-772. cells were transfected with the pEGFP-PHB1 plasmid and PHB1-specific shRNA(shRNA-PHB1)for 2.-72.*** prolif-eration was analysed with an MTT *** cycle progression and apoptosis were analysed using flow cytometry(FACS).The mRNA and protein expression levels of the cell cycle-related molecules p2.,Cyclin A2.Cyclin E1,and CDK2.and the cell apoptosis-related molecules cytochrome C(Cyt C),p53,Bcl-2.Bax,caspase 3,and caspase 9 were measured by real-time PCR and Western blot,*** Decreased levels of PHB1 were found in the sera and liver tissues of HCC patients compared to those of healthy individuals,and decreased PHB1 was positively correlated with low differentiation,TNM stage III-IV,and alpha-fetoprotein≥400μg/*** of PHB1 significantly inhibited human HCC cell proliferation in a time-dependent *** revealed that the overexpression of PHB1 arrested HCC cells in the G0/G1 phase of the cell cycle and induced *** proportion of cells in the G0/G1 phase was significantly increased and the proportion of cells in the S phase was decreased in HepG2.cells that were transfected with pEGFP-PHB1 compar

关键词： Prohibitin 1 Hepatocellular carcinoma cells Apoptosis Cell cycle Mitochondrial pathway

New implementation of the configuration-based multi-reference second order perturbation theory

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New implementation of the configuration-based multi-referenc...

GmPHR1, a Novel Homolog of the AtPHR1 Transcription Factor, Plays a Role in Plant Tolerance to Phosphate Starvation

第六届全国物理无机化学会议

作者： Yibo Lei~1,yubin wang~2,Huixian Han~3,Qi Song~2,bingbing suo~2,zhenyi wen~(1,2,*) 1 key laboratory of Synthetic and Natural Functional Molecule chemistry of Ministry of Education, The College of chemistry & Materials Science,Shaanxi key laboratory of physico-inorganic chemistry,northwest university,xi’an 710069,P.R.china 2 Institute of Modern Physics,northwest university,xi’an 710069,P.R.china 3 Physics department,northwest university,xi’an 710069,P.R.china

We present an improved version of the configuration-based multi-reference second-order perturbation approach(CB-MRPT2.according to the formulation of lindgren on perturbation theory of a degenerate model *** version involves a reclassification of the perturbation functions and new algorithms to calculate matrix elements in the perturber energy expressions utilizing the graphical unitary group approach(GUGA)and the hole-particle *** diagonalize-then-perturb(DP),including Rayleigh-Schrodinger(RS)and Brillouin-Wigner(BW),and diagonalize-then-perturb-then-diagonalize(DPD)modes have been *** new CB-MRPT2.method is applied to several typical systems and current some hot issues:(1)the vertical excitation energies for several states of CO and N,(2.energy comparison and timing of the ground state of CH, (3)the quasi-degeneracy of states in liF,(4)the intruder state problems of AgH and(5)the relative energies of di-copper-oxygen-ammonia complex *** results indicate that the computational accuracy and efficiency of the presented methods are competitive and *** should be emphasized that the DPD method rectifies naturally the shortcomings of liF potential energy curves constructed by the original second order complete active space perturbation theory(CASPT2.,without having to recourse to the so-called state *** CASPT2. the new methods give the same energy ordering for the two di-copper-oxygen-ammonia isomers as the previous multi-reference configuration interaction with single and double excitations(MRCISD)*** new CB-MRPT2.method is shown to be a useful tool to study small to medium-sized systems.

关键词：

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Journal of Integrative Agriculture 2014年第12期13卷 2584-2593页

作者： li xi-huan {2. Yun-jie WU bing KONG You-bin li wen-long CHANG wen-suo ZHANG Cai-ying North china key {2. for Germplasm Resources Ministry of Education/Agricultural University of Hebei

GmPHR1 from soybean （Glycine max） was isolated and characterized. This novel homolog of the AtPHR1 transcription factor confers tolerance to inorganic phosphate （Pi）-starvation. The gene is 2.751 bp long, with an 819-bp open reading frame and ifve introns. Analysis of transcription activity in yeast revealed that the full-length GmPHR1 and its C-terminal activate the reporter genes for His, Ade and Ura, suggesting that the C-terminal peptide functions as a transcriptional activator. Quantitative real-time PCR indicated that patterns of GmPHR1 expression differed. For example, under low-Pi stress, this gene was quickly induced in the tolerant JD11 after 0.5 h, with expression then decreasing slowly before peaking at 12.2. h. By contrast, induction in the sensitive Niumaohuang （NMH） was slow, peaking at 6 h before decreasing quickly at 9 h. GmPHR1 showed sub-cellular localization in the nuclei of onion epidermal cells and Arabidopsis roots. Growth parameters in wild-type （WT） Arabidopsis plants as well as in overexpression （OE） transgenic lines were examined. Under low-Pi conditions, values for shoot, root and whole-plant dry weights, root to shoot ratios, and lengths of primary roots were signiifcantly greater in OE lines than in the WT. These data demonstrate that GmPHR1 has an important role in conferring tolerance to phosphate starvation.

关键词： GmPHR1 transcription factor AtPHR1 phosphate starvation low phosphate-stress tolerance soybean

Bartonella Species Investigated among Rodents from Shaanxi Province of china

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Biomedical and Environmental Sciences 2020年第3期33卷 201-205页

作者： AN Cui Hong CHEN Bao Bao LYU wen NIE Shou Min li Sheng Zhen FAN {2. Ping SUN Yang xin liU Jin Ren li Dong Mei XU Ji Ru department of Plague Brucellosis and Etiologic Biological Vector ControlShaanxi Center for Disease Control and PreventionXi'an 710054Shaanxi China department of Microbiology and Immunology School of MedicineHealth Science CenterXi’an Jiaotong UniversityXi’an 710061ShaanxiChina School of Public Health Health Science CenterXi’an Jiaotong UniversityXi’an 710061ShaanxiChina State key laboratory of Infectious Disease Prevention and Control Collaborative Innovation Center for Diagnosis and Treatment of Infectious DiseasesNational Institute for Communicable Disease Control and Prevention of Chinese Center for Disease Control and PreventionBeijing 102206China

Bartonella *** rod-shaped,Gram-negative,aerobic,fastidious,slow bacteria which cause diseases in humans and animals by parasitizing the endothelial and red blood cells of their hosts[1,2..Rodents are the most important natural reservoir hosts of Bartonella[3].In 57 countries,epidemiological studies of rat-borne Bartonella have been carried *** on the Bartonella infection rate in rodents has been obtained from most of these *** infection rate of rodents in Portugal,Egypt,Japan,Canada,and the United States is more than 90%,the infection rate in Thailand and Russia is about 80%,and the infection rate in china is about 67%.To date,2. species of rodent-borne Bartonella have been *** these,***,*** ***,*** ***,and *** have been found to be associated with human *** become infected with rodent-borne Bartonella incidentally,especially when they are exposed to the habitats of wild rodents harboring various Bartonella *** infection can affect multiple organs and poses a risk to public health[4].

关键词： Bartonella spp parasitizing the endothelial humans

不同土壤地力条件下农大豆2.适宜密度与施肥量研究

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安徽农业科学 2019年第4期47卷 50-52,62页

作者：李文龙李喜焕常文锁张彩英河北农业大学教育部华北作物种质资源研究与利用重点实验室河北保定071001

[目的]研究高产优质抗病大豆新品种农大豆2.在不同土壤地力条件下的适宜密度和施肥量。[方法]采用裂区设计,分别在3种不同土壤地力条件下分析农大豆2.产量及其相关性状。[结果]土壤地力条件不同,施肥量和密度以及二者之间的互作对农大... 详细信息

[目的]研究高产优质抗病大豆新品种农大豆2.在不同土壤地力条件下的适宜密度和施肥量。[方法]采用裂区设计,分别在3种不同土壤地力条件下分析农大豆2.产量及其相关性状。[结果]土壤地力条件不同,施肥量和密度以及二者之间的互作对农大豆2.产量及其相关性状影响不同。在低土壤地力条件下,单株粒数和单株粒重在不同施肥量及密度间的差异达到显著水平,高密高肥处理(密度2..5万株/hm^2.复合肥375 kg/hm^2.的产量较高;中等地力条件下,单株荚数、单株粒数在不同施肥量及密度间的差异达到显著和极显著水平,中密中肥处理(密度18.0万株/hm^2.复合肥2.5 kg/hm^2.的产量较高;较高地力条件下,不同施肥量及密度间的单株粒重差异达到显著和极显著水平,中密高肥处理(18.0万株/hm^2.复合肥375 kg/hm^2.的产量较高。[结论]该研究为农大豆2.在不同土壤地力条件下高产栽培和大面积示范推广提供了依据。

关键词：大豆新品种农大豆2. 施肥量密度产量

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专家笔谈:资源环境热点问题

自然资源学报 2018年第6期33卷 1092-1102页

作者：孙鸿烈郑度夏军陈发虎成升魁沈镭王艳芬林家彬江源董锁成崔彬左其亭雷加强何希吾闵庆文李秀彬康跃虎中国科学院地理科学与资源研究所北京100101 武汉大学水利水电学院武汉430072 中国科学院青藏高原研究所北京100101 中国科学院大学北京100049 国务院发展研究中心北京100010 北京师范大学地理科学学部北京100875 中国地质大学(北京) 北京100083 郑州大学水利与环境学院郑州450000 中国科学院新疆生态与地理研究所乌鲁木齐830011

重大的资源开发利用工程建设设想或实施往往容易引起社会各界的广泛关注。如何正确认识和科学评价各种资源环境热点问题是大家讨论的重点。文章认为任何重大资源开发工程必须遵循自然规律、生态规律、资源规律和经济规律,必须结合国家... 详细信息

重大的资源开发利用工程建设设想或实施往往容易引起社会各界的广泛关注。如何正确认识和科学评价各种资源环境热点问题是大家讨论的重点。文章认为任何重大资源开发工程必须遵循自然规律、生态规律、资源规律和经济规律,必须结合国家战略需求和地缘政治关系,开展前期深入的系统性综合调查,进行生态安全与资源工程安全评价和交叉学科论证,并对其科学价值、社会价值和经济价值等做出正确的判断。建议:未来的资源环境工程建设要谨防"大跃进",要科学认识自然资源系统规律,守护好美丽的地球家园;要切实履行资源科学家的社会责任,提倡基于科学研究和科学态度的学术争鸣,科学问题最好还是由科学家去讨论;一些争议大的科研课题慎用公益性研发经费来支持。

关键词：资源开发资源环境生态文明综合调查与评价

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天琴计划简介

中山大学学报（自然科学版） 2021年第1期60卷 1-19页

作者：罗俊艾凌皓艾艳丽安子聪白伟钢白彦峥包佳慧曹斌常文博陈琛陈厚源崔凯单莹丁延卫段会宗范会敏范磊范纹彤范霄冯文凡付新菊付瑜亮高晨光郜青高添泉高鑫高永新龚云贵谷德峰辜凌云郭兴韩西达何芸胡一鸣胡越新胡展黄顺佳黄祥青黄潇博纪沐婕蒋贇焦磊靳鸿鸣康小明匡双阳雷卫华李程远李洪银李珏李康康李萌李明黎明李涛李霄栋李语强李祝李竹溪黎樽彪练军想梁正程林伟凌晨刘辉刘佳恒刘建平刘力刘祺刘尚飞刘胜前刘帅刘旭辉刘雁冲刘源龙江龙军陆璐罗成健骆颖欣马波梅健伟孟云鹤明珉牛翔潘加键庞爱平彭慧生屈少波区子维任亮亮申荣锋沈岩石常富宋佳凝宋培义索晓晨谭柏轩谭定银檀庄斌涂良成王成王铖锐王凤彬王海天王继河王凌风王尚胜王泰卜汪旭东王炎汪洋汪一萍王智钊魏东东文明轩吴庆文吴勤勤吴书朝吴先霖夏冰夏旭肖青肖小圆谢宁徐家豪颜浩闫勇杨铖杨诚鋆杨涓杨列杨山清叶伯兵叶贤基叶小容尹航于达仁袁慧敏曾明张才士张德轩张建东张静怡张锦绣张居正张开张蜡宝张立华张涛张鑫张鑫2.张雪峰赵宏超赵玥赵泽伟周鸿博周金灵周立祥周泽兵朱凡朱炬波訾铁光邹远川 “天琴计划”教育部重点实验室中山大学天琴中心天琴前沿科学中心国家航天局引力波研究中心广东珠海519082 中山大学物理与天文学院广东珠海519082 华中科技大学物理学院湖北武汉430074 航天东方红卫星有限公司北京100094 中国科学院云南天文台云南昆明650011 哈尔滨工业大学能源科学与工程学院黑龙江哈尔滨150001 北京控制工程研究所北京100094 东北大学理学院辽宁沈阳110004 贵州大学电气工程学院贵州贵阳550025 南京大学电子科学与工程学院江苏南京210093 上海交通大学机械与动力工程学院上海200240 深圳技术大学工程物理学院广东深圳518118 武汉大学电子信息学院湖北武汉430072 西北工业大学航空航天学院陕西西安710072 西南大学物理科学与技术学院重庆400715 中国科学院紫金山天文台江苏南京210023 中山大学航空航天学院广东广州510006 冲绳科学技术大学院大学日本冲绳951-8073

天琴计划预期于2.35年左右发射并部署边长约17万公里的等边三角形卫星星座,构成一个引力波天文台—天琴。天琴将对10^(-4)~1 Hz频段的引力波进行探测,为人类描绘一幅更全面的宇宙图景。在本文中,我们对天琴计划的背景和提出过程、天琴... 详细信息

天琴计划预期于2.35年左右发射并部署边长约17万公里的等边三角形卫星星座,构成一个引力波天文台—天琴。天琴将对10^(-4)~1 Hz频段的引力波进行探测,为人类描绘一幅更全面的宇宙图景。在本文中,我们对天琴计划的背景和提出过程、天琴的主要探测对象和主要科学目标、天琴需要攻克的核心关键技术问题、天琴计划技术路线图及进展等进行介绍,以方便更多人加入这一项富有挑战而又激动人心的工作。

关键词：天琴计划空间引力波探测引力波