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Comparison of Snn（n=2 15） Neutral and Ionic Structures

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Chemical Research in Chinese Universities 2013年第3期29卷 579-583页

作者： zang qing-jun CHEN Guang-ju QIN Wei ZHAO Li-zhen LU Wen-cai College of Chemistry Beijing Normal University Beijing 100875 P. R. China Laboratory of Fiber Materials and Modern Textile Growing Base for State Key Laboratory College of Physics Qingdao University Qingdao 266071 P. R. China State Key Laboratory of Theoretical and Computational Chemistry Jilin University Changchun 130021 P. R. China

A large number of the isomers of neutral and ionic Snn（n=2-15） clusters have been designed and optimized at the level of MP2/LANL2DZ with the aid of the Gaussian 09 software package. The most stable geometric structures of ionic（cationic and anionic） Sn clusters have been compared with the corresponding neutral geometries. Most structures of Snn＋ and Snn are similar to each other except for the structures of those with n=5, 11 and 15; while the anions Snn- are almost different from Snn clusters with n=9--15 except for Sn12- and Snl4-. The electronic properties have been calculated, including binding energy, second difference in energy, HOMO-LUMO gaps, ionization potentials, and electron affinities.

关键词： Sn cluster Geometric structure Electronic property

Comparison of Si_n^+ and Ge_n^+(n=2―15) Cationic Structures

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Chemical Research in Chinese Universities 2011年第2期27卷 313-317页

作者： QIN Wei zang qing-jun LU Wen-cai WANG Cai-zhuang HO Kai-ming Laboratory of Fiber Materials and Modern Textile Growing Base for State Key Laboratory College of Physics Qingdao University Qingdao 266071 P. R. China State Key Laboratory of Theoretical and Computational Chemistry Institute of Theoretical Chemistry Jilin University Changchun 130021 P. R. China College of Chemistry Beijing Normal University Beijing 100875 P. R. China Ames Laboratory-US DOE and Department of Physics and Astronomy Iowa State University Ames IA 50011 USA

We designed and optimized a large number of the isomers of Si12＋ at the level of density functional theory （DFT）-B3LYP/6-311＋＋G（d） using the Gaussian 03 software package. An unambiguous structure of the Si12＋ cluster is presented, whose IR spectrum agrees well with the experiment result. The most stable geometric structures of Gen＋（n=2―15） clusters were determined by the all-electron PBE/DND method in DMol3 of the Material Studio Package, and compared with those of the corresponding Sin＋ geometries. Most structures of Gen＋ and Sin＋ are similar except the ones of those for n=9, 12, 13 and 14, and the pentagonal bipyramid motif and the tri-capped trigonal prism（TTP） motif often appear in the Sin＋ and Gen＋（n=7―15） structures（except for Si14＋）.

关键词： Pentagonal bipyrarnid motif Tri-capped trigonal prism(TTP) motif Si.+ and Ge.+ cluster

双联吡咯啉类锌配合物的光物理性质的理论研究

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东北师大学报（自然科学版） 2006年第1期38卷 76-79页

作者：付有志杨国春仇永清藏庆军白城师范学院化学系吉林白城137000 东北师范大学化学学院吉林长春130024

采用密度泛函B3LYP方法,使用6-31G(d)基组优化双联吡咯啉锌配合物(a)和双(5,5’,7-三甲基)-联吡咯啉锌配合物(b)的几何结构,在获得稳定构型的基础上,讨论了体系的光物理性质.计算得到的吸收光谱值和实验值吻合,通过前线分子轨道分析表明... 详细信息

采用密度泛函B3LYP方法,使用6-31G(d)基组优化双联吡咯啉锌配合物(a)和双(5,5’,7-三甲基)-联吡咯啉锌配合物(b)的几何结构,在获得稳定构型的基础上,讨论了体系的光物理性质.计算得到的吸收光谱值和实验值吻合,通过前线分子轨道分析表明,主要跃迁是卟啉配体的π到π*跃迁,Zn原子对跃迁的贡献很小,这和8-羟基喹啉铝中Al原子起到的作用相似.

关键词：吸收光谱电子跃迁锌配合物分子轨道

Effects of Bifidobacterium lactis BLa80 on fecal and mucosal flora and stem cell factor/c-kit signaling pathway in simulated microgravity rats

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World Journal of Gastroenterology 2025年第1期31卷 93-109页

作者： Ping Zhang Ying Zhu Pu Chen Tong Zhou Zhe-Yi Han jun Xiao Jian-Feng Ma Wen Ma Peng zang Ying Chen Graduate School Hebei North UniversityZhangjiakou 075000Hebei ProvinceChina Key Laboratory of Aerospace Nutrition and Food Engineering China Astronaut Research and Training CenterBeijing 100094China Department of Gastroenterology The Air Force Medical CenterBeijing 100142China Department of Blood Transfusion Air Force Medical CenterBeijing 100142China

BACKGROUND Simulated microgravity environment can lead to gastrointestinal motility *** pathogenesis of gastrointestinal motility disorders is closely related to the stem cell factor(SCF)/c-kit signaling pathway associated with intestinal flora and Cajal stromal ***,intestinal flora can also affect the regulation of SCF/c-kit signaling pathway,thus affecting the expression of Cajal stromal *** cells are the pacemakers of gastrointestinal *** To investigate the effects of Bifidobacterium lactis(***)BLa80 on the intestinal flora of rats in simulated microgravity and on the gastrointestinal motility-related SCF/c-kit *** The internationally recognized tail suspension animal model was used to simulate the microgravity environment,and 30 rats were randomly divided into control group,tail suspension group and drug administration tail suspension group with 10 rats in each group for a total of 28 *** tail group was given *** BLa80 by intragastric administration,and the other two groups were given water intragastric administration,the concentration of intragastric administration was 0.1 g/mL,and each rat was 1 mL/***&eosin staining was used to observe the histopathological changes in each segment of the intestine of each group,and the expression levels of SCF,c-kit,extracellular signal-regulated kinase(ERK)and p-ERK in the gastric antrum of each group were detected by Western blotting and *** fecal flora and mucosal flora of rats in each group were detected by 16S *** Simulated microgravity resulted in severe exfoliation of villi of duodenum,jejunum and ileum in rats,marked damage,increased space between villi,loose arrangement,shortened columnar epithelium of colon,less folds,narrower mucosal thickness,reduced goblet cell number and crypts,and significant improvement after probiotic *** microgravity reduced the expressions of SCF and c-kit,and increased the express

关键词： Simulated microgravity Rat Intestinal flora Gastrointestinal motility Stem cell factor/c-kit signaling pathway

单、双、三硝基取代吡啶衍生物一阶超极化率的理论研究

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东北师大学报（自然科学版） 2005年第3期37卷 57-60页

作者：尚威杨国春臧庆军陈兰慧苏忠民白城师范学院化学系吉林白城137000 东北师范大学化学学院吉林长春130024

采用AM1方法对单、双、三硝基取代衍生物几何结构进行优化,用从头算含时Hartree-Fock方程计算硝基吡啶衍生物分子的电子光谱,并在此基础上结合完全态求和公式自编程序计算了这些分子的一阶超极化率.从理论上讨论了不同取代位置对一阶超... 详细信息

采用AM1方法对单、双、三硝基取代衍生物几何结构进行优化,用从头算含时Hartree-Fock方程计算硝基吡啶衍生物分子的电子光谱,并在此基础上结合完全态求和公式自编程序计算了这些分子的一阶超极化率.从理论上讨论了不同取代位置对一阶超极化率性质的影响,发现1,6-二硝基吡啶和3,4,5-三硝基吡啶的一阶超极化率响应最大,并从微观上给予了解释.

关键词：吡啶衍生物 UV光谱一阶超极化率 TDHF—SOS

亚氨基膦电子特性及氮原子上取代基效应的理论计算研究

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曲阜师范大学学报（自然科学版） 2000年第4期26卷 61-62页

作者：吕英文臧庆军吕文彩济南教育学院山东省济南市250001 青岛大学山东省青岛市266071 吉林大学吉林省长春市130023

用AM1方法研究了亚氨基膦Ph3 PNH ,Ph3 PNMe和Ph3 PNPh的电子特性 ,讨论了N原子上的取代基效应 .

关键词：亚氨基膦取代基效应氮原子

Infiltration by monocytes of the central nervous system and its role in multiple sclerosis: reflections on therapeutic strategies

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Neural Regeneration Research 2025年第3期20卷 779-793页

作者： Guangyong Zhang qing Yao Chubing Long Pengcheng Yi Jiali Song Luojia Wu Wei Wan Xiuqin Rao Yue Lin Gen Wei jun Ying Fuzhou Hua Department of Anesthesiology the Second Affiliated Hospital of Nanchang UniversityNanchangJiangxi ProvinceChina Key Laboratory of Anesthesiology of Jiangxi Province NanchangJiangxi ProvinceChina

Mononuclear macrophage infiltration in the central nervous system is a prominent feature of neuroinflammation. Recent studies on the pathogenesis and progression of multiple sclerosis have highlighted the multiple roles of mononuclear macrophages in the neuroinflammatory process. Monocytes play a significant role in neuroinflammation, and managing neuroinflammation by manipulating peripheral monocytes stands out as an effective strategy for the treatment of multiple sclerosis, leading to improved patient outcomes. This review outlines the steps involved in the entry of myeloid monocytes into the central nervous system that are targets for effective intervention: the activation of bone marrow hematopoiesis, migration of monocytes in the blood, and penetration of the blood–brain barrier by monocytes. Finally, we summarize the different monocyte subpopulations and their effects on the central nervous system based on phenotypic differences. As activated microglia resemble monocyte-derived macrophages, it is important to accurately identify the role of monocyte-derived macrophages in disease. Depending on the roles played by monocyte-derived macrophages at different stages of the disease, several of these processes can be interrupted to limit neuroinflammation and improve patient prognosis. Here, we discuss possible strategies to target monocytes in neurological diseases, focusing on three key aspects of monocyte infiltration into the central nervous system, to provide new ideas for the treatment of neurodegenerative diseases.

关键词： blood–brain barrier macrophages monocytes multiple sclerosis neuroinflammation review therapy

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甲醇与葡萄糖为碳源在反硝化过程中的比较

上海师范大学学报（自然科学版） 2002年第3期31卷 41-44页

作者：阎宁金雪标张俊清上海师范大学城市与旅游学院上海200234

在颗粒滤床反应器内 ,以葡萄糖或甲醇为碳源 ,碳源充足时 ,均可以比较完全地去除硝酸盐 ,但以葡萄糖为碳源的最佳碳氮比较甲醇为碳源高得多 ,为 6∶1～ 7∶1 (C6H1 2 O6∶NO-3 N)。当碳源不足时 ,反硝化过程存在亚硝酸盐积累现象 ,且葡... 详细信息

在颗粒滤床反应器内 ,以葡萄糖或甲醇为碳源 ,碳源充足时 ,均可以比较完全地去除硝酸盐 ,但以葡萄糖为碳源的最佳碳氮比较甲醇为碳源高得多 ,为 6∶1～ 7∶1 (C6H1 2 O6∶NO-3 N)。当碳源不足时 ,反硝化过程存在亚硝酸盐积累现象 ,且葡萄糖为碳源时积累更严重。以CH3OH为碳源进行的反硝化速率较以C6H1 2 O6 为碳源的快得多 ,在相同条件下快 3倍。在本实验条件下 ,反硝化过程表现出 0级反应特征 ,k (CH3OH) =1 60mg/L·h ,k(C6H1 2 O6) =42mg/L·h。

关键词：甲醇葡萄糖反硝化过程碳源反硝化速率 C/N值饮用水处理废水处理脱氮

A General Law of Moment Convergence Rates for Uniform Empirical Process

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Acta Mathematica Sinica,English Series 2011年第10期27卷 1941-1948页

作者： qing Pei zang School of Mathematical Science Huaiyin Normal UniversityHuai'an 223300 P. R. China

Let {Xn; n ≥ 1} be a sequence of independent and identically distributed U[0,1]-distributed random variables. Define the uniform empirical process Fn（t） = n^-1/2 ∑^ni=1 （I{xi≤t} - t）, 0 ≤ t 〈 1, ││Fn││ = sup0≤t≤ 1 │Fn（t）│. In this paper, the exact convergence rates of a general law of weighted infinite series of E{││Fn││ -εg^s（n）}＋ are obtained.

关键词： Moment convergence rates uniform empirical process Brownian bridge