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异构化能量分解分析Ni_(2)CO_(5)的(18,18)与(18,16)构型竞争
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作者 刘志凌 白燕 +5 位作者 李雅 何静 林青杨 张富强 武海顺 贾建峰 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2021年第3期287-296,I0026-I0038,I0047,共24页
本文研究了中性Ni_(2)CO_(5)配合物的势能图,发现一个C_(2v)双桥淡基新构型,与以前报道的三羰基桥联的D3h构型竞争Ni_(2)CO_(5)的基态结构.尽管三桥式异构体拥有更有利的(18,18)电子构型,即双金属中心都满足18电子规则,中性的Ni_(2)CO_... 本文研究了中性Ni_(2)CO_(5)配合物的势能图,发现一个C_(2v)双桥淡基新构型,与以前报道的三羰基桥联的D3h构型竞争Ni_(2)CO_(5)的基态结构.尽管三桥式异构体拥有更有利的(18,18)电子构型,即双金属中心都满足18电子规则,中性的Ni_(2)CO_(5)配合物更倾向于(18,16)电子结构的双桥式几何.异构化能量分解分析表明,这样的结构优选是静电作用和轨道相互作用极大化的结果. 展开更多
关键词 羰基镍 密度泛函理论 18电子规则 异构化能量分解分析 三中心两电子
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Current status and future prospects of stem cell therapy in Alzheimer’s disease 被引量:7
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作者 fu-qiang zhang Jin-Lan Jiang +3 位作者 Jing-Tian zhang Han Niu Xue-Qi Fu Lin-Lin Zeng 《Neural Regeneration Research》 SCIE CAS CSCD 2020年第2期242-250,共9页
Alzheimer’s disease is a common progressive neurodegenerative disorder, pathologically characterized by the presence of β-amyloid plaques and neurofibrillary tangles. Current treatment approaches using drugs only al... Alzheimer’s disease is a common progressive neurodegenerative disorder, pathologically characterized by the presence of β-amyloid plaques and neurofibrillary tangles. Current treatment approaches using drugs only alleviate the symptoms without curing the disease, which is a serious issue and influences the quality of life of the patients and their caregivers. In recent years, stem cell technology has provided new insights into the treatment of neurodegenerative diseases, including Alzheimer’s disease, Parkinson’s disease, and amyotrophic lateral sclerosis. Currently, the main sources of stem cells include neural stem cells, embryonic stem cells, mesenchymal stem cells, and induced pluripotent stem cells. In this review, we discuss the pathophysiology and general treatment of Alzheimer’s disease, and the current state of stem cell transplantation in the treatment of Alzheimer’s disease. We also assess future challenges in the clinical application and drug development of stem cell transplantation as a treatment for Alzheimer’s disease. 展开更多
关键词 Alzheimer's disease β-amyloid drug development embryonic STEM CELLS induced PLURIPOTENT STEM CELLS mesenchymal STEM CELLS nerve REGENERATION NEURAL REGENERATION NEURAL STEM CELLS NEURODEGENERATIVE disorders STEM cell therapy
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Single-event effects induced by medium-energy protons in 28 nm system-on-chip 被引量:4
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作者 Wei-Tao Yang Qian Yin +6 位作者 Yang Li Gang Guo Yong-Hong Li Chao-Hui He Yan-Wen zhang fu-qiang zhang Jin-Hua Han 《Nuclear Science and Techniques》 SCIE CAS CSCD 2019年第10期55-62,共8页
Single-event effects(SEEs)induced by mediumenergy protons in a 28 nm system-on-chip(SoC)were investigated at the China Institute of Atomic Energy.An on-chip memory block was irradiated with 90 MeV and 70 MeV protons,r... Single-event effects(SEEs)induced by mediumenergy protons in a 28 nm system-on-chip(SoC)were investigated at the China Institute of Atomic Energy.An on-chip memory block was irradiated with 90 MeV and 70 MeV protons,respectively.Single-bit upset and multicell upset events were observed,and an uppermost number of nine upset cells were discovered in the 90 MeV proton irradiation test.The results indicate that the SEE sensitivities of the 28 nm SoC to the 90 MeV and 70 MeV protons were similar.Cosmic Ray Effects on Micro-Electronics Monte Carlo simulations were analyzed,and it demonstrates that protons can induce effects in a 28 nm SoC if their energies are greater than 1.4 MeV and that the lowest corresponding linear energy transfer was 0.142 MeV cm^2 mg^-1.The similarities and discrepancies of the SEEs induced by the 90 MeV and 70 MeV protons were analyzed. 展开更多
关键词 Single-event effect PROTON SYSTEM-ON-CHIP
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Microstructures and phase transformation in directionally solidified TiAl-Nb alloys 被引量:1
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作者 fu-qiang zhang Xian-fei Ding +6 位作者 Hai Nan Ru-yue You Qiang Wang Jian-ping He Yan-qing Su Yong-feng Liang Jun-pin Lin 《China Foundry》 SCIE CAS 2020年第6期402-408,共7页
Intermetallic Ti-45Al-8Nb-(W,B,Y)(at.%)and Ti-46Al-5Nb alloys are directionally solidified at a constant growth rate of 30μm·s-1 using a Bridgman type apparatus.The quenched microstructures and lengths of differ... Intermetallic Ti-45Al-8Nb-(W,B,Y)(at.%)and Ti-46Al-5Nb alloys are directionally solidified at a constant growth rate of 30μm·s-1 using a Bridgman type apparatus.The quenched microstructures and lengths of different phase regions were observed and measured after various growing times of 0-30 min.Results show that the phase transformations in different phase regions are mainly depending on the high temperature microstructure and the supercooling degree during quenching process.After isothermal holding,the primary phase grows into the liquid phase,the dendrites change from equiaxed to columnar grains,and the length of the L+βphase region,L+β+αphase region and mushy zone varies,indicating that the entire directional solidification process can be described by a static equilibrium-nonequilibrium-dynamic equilibrium evolution process.In addition,the gap between the original growth interface and front interface shows that the actual crystal growth rate is not equal to the drawing velocity during directional solidification. 展开更多
关键词 TiAl alloys directional solidification quenched microstructure phase transformation
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Laser-induced fluorescence experimental spectroscopy and theoretical calculations of uranium monoxide
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作者 白西林 张雪东 +1 位作者 张富强 Timothy C Steimle 《Chinese Physics B》 SCIE EI CAS CSCD 2022年第5期245-252,共8页
As a model molecule of actinide chemistry,UO molecule plays an important role in understanding the electronic structure and chemical bonding of actinide-containing species.We report a study of the laser-induced fluore... As a model molecule of actinide chemistry,UO molecule plays an important role in understanding the electronic structure and chemical bonding of actinide-containing species.We report a study of the laser-induced fluorescence spectra of the U^(16)O and U^(18)O using two-dimensional spectroscopy.Several rotationally resolved excitation spectra were investigated.Accurate molecular rotational constants and equilibrium internuclear distances were reported.Low-lying electronic states information was extracted from high resolution dispersed fluorescence spectra and analyzed by the ligand field theory model.The configuration of the ground state was determined as U^(2+)(5 f^(3)7 s)O^(2-).The branching ratios,and the vibrational harmonic and anharmonic parameters were also obtained.Radiative lifetimes were determined by recording the timeresolved fluorescence spectroscopy.Transition dipole moments were calculated using the branching ratios and the radiative lifetimes.These findings were elucidated by using quantum-chemical calculations,and the chemical bonding was also analyzed.The findings presented in this work will enrich our understanding of actinide-containing molecules. 展开更多
关键词 laser-induced fluorescence two-dimensional spectroscopy density functional theory
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同手性金属有机框架(MOFs)维度的精准调控及荧光性质的研究 被引量:2
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作者 赵彦武 李星 +1 位作者 张富强 张祥 《化学学报》 SCIE CAS CSCD 北大核心 2021年第11期1409-1414,共6页
精准调控不同维度和拓扑的结构,特别是具有同组分的手性结构代表了当今合成化学所面临的最具挑战性的问题之一.基于配位化学的不同维度杂化材料的自组装被认为是能够解决上述问题的一种有效途径.本工作采用了已报道的一维管(HMOF-2)和... 精准调控不同维度和拓扑的结构,特别是具有同组分的手性结构代表了当今合成化学所面临的最具挑战性的问题之一.基于配位化学的不同维度杂化材料的自组装被认为是能够解决上述问题的一种有效途径.本工作采用了已报道的一维管(HMOF-2)和二维层(HMOF-3)合成所需的5,5'-N,N-二间苯二甲酸-(1R,2R)-环己烷二酰胺(R,R-CHCAIP)配体和锌盐(Zn^(2+)),在高温(100℃)溶剂热反应条件下自组装而成新的三维孔MOFs(HMOF-4).提出了辅助配体和反应温度协同作用的策略,进而精准调控获得了这三个结构多样化、维度不同的手性MOFs,在目前已报道的多维MOFs中,这类具有同组分的多维手性MOFs是极为罕见的.研究了其荧光性质,用时间依赖的密度泛函理论(TDDFT)计算解释了其发光机理.它们发射光谱的微小差异说明Zn-MOFs的维度对荧光的影响较小.这项工作为精准调控不同维度的同手性MOFs提供了一个有特色的构筑方法. 展开更多
关键词 精准调控 同手性金属有机框架(MOFs) 维度 协同作用 荧光
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Two SbX_(5)-based isostructural polar 1D hybrid antimony halides with tunable broadband emission,nonlinear optics,and semiconductor properties 被引量:1
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作者 Zhikai Qi Yali Chen +3 位作者 Huizhi Gao fu-qiang zhang Shi-Li Li Xian-Ming zhang 《Science China Chemistry》 SCIE EI CSCD 2021年第12期2111-2117,共7页
Metal halide perovskites based on MX6(M is metal and X is halogen)octahedra have developed into significant materials,extensively used in many fields,such as solid-state lighting,semiconductor,and nonlinear optics.How... Metal halide perovskites based on MX6(M is metal and X is halogen)octahedra have developed into significant materials,extensively used in many fields,such as solid-state lighting,semiconductor,and nonlinear optics.However,the MX_(5)square pyramid-based hybrid metal halides beyond zero-dimensional(0D)polyhedrons and clusters are rarely reported.Herein,we reported two new isostructural hybrid antimony halides,namely(2cepyH)SbCl4(1-Cl)and(2cepyH)SbBr4(2-Br)(2cepy=1-(2-chloroethyl)pyrrolidine),characterized by 1D polar polyanionic chains formed by corner-sharing SbX_(5)tetragonal pyramid units.Upon photoexcitation at 340 nm,1-Cl shows broad,yellow phosphorescence emissions stemming from triplet self-trapped excitons,as proved by its long lifetime(6.85μs)and the temperature dependences of broadband emission.To our knowledge,this should be the first observation on the broadband emissive properties in the 1D hybrid metal halide constructed by MX_(5)tetragonal pyramid units.Moreover,second harmonic generation measurements show that the nonlinear optical properties of 2-Br(∼3.2×KDP)are superior to that of 1-Cl(∼1.8×KDP).Experimental and calculated data indicate that the bandgap of 1-Cl is larger than that of 2-Br and that the polar inorganic moieties determine their band structures.Our work opens up a new way for constructing broadband emission materials with novel polar frameworks. 展开更多
关键词 metal halide square pyramid broadband emission second harmonic generation SEMICONDUCTOR
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