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煤热解过程中生成氮化物的研究

燃料化学学报 2002年第5期30卷 408-412页

作者：赵炜常丽萍冯志华谢克昌太原理工大学煤科学与技术山西省重点实验室山西太原030024

使用管式反应器在 6 0 0℃～ 90 0℃范围内考察了温度和煤种等对煤中氮热解转化成HCN和NH3的影响。实验结果表明 :热解的温度越高 ,气相产物中的HCN和NH3的生成量越大 ;煤化程度越高 ,煤中氮转化为HCN的量越少 ;惰质组含量较高的煤样 ,... 详细信息

使用管式反应器在 6 0 0℃～ 90 0℃范围内考察了温度和煤种等对煤中氮热解转化成HCN和NH3的影响。实验结果表明 :热解的温度越高 ,气相产物中的HCN和NH3的生成量越大 ;煤化程度越高 ,煤中氮转化为HCN的量越少 ;惰质组含量较高的煤样 ,热解生成的NH3较多。在这些实验的基础上。

关键词：氮化物煤热解 HCN NH3 氨氮氧化物前驱物

Metal-organic frameworks with dinuclear metal centers for synergistically boosting CO2 photoreduction

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Science China Chemistry 2025年第01期 201-208页

作者： Hui-feng Wang Wen-Jie Shi Yu-Xin Yang Bao-Xia Dong Tong-Bu Lu Di-chang Zhong School of Chemistry and Chemical Engineering Yangzhou University Institute for New Energy Materials and Low Carbon Technologies School of Materials Science and Engineering Tianjin University of Technology

Dinuclear metal synergistic catalysis （DMSC） has been proved powerful in boosting CO2reduction,while this has not been achieved in heterogeneous catalysts with long-range order *** this study,we,by introduction of metal catalytic centers into an indium-based metal-organic framework （MOF）,obtained a series of isostructural In-MOFs,including three MOFs with mononuclear metal catalytic center （M-In）,three MOFs with dinuclear homometallic catalytic centers （MM-In）,and three MOFs with dinuclear heterometallic catalytic centers (MM’-In,M/M’=Co（II）,Ni（II）,Zn（II）).It was found that all these MOFs can serve as catalysts for photochemical CO2reduction to *** with M-In,the catalytic activities of MM-In were obviously enhanced,and that of MM’-In was further significantly *** example,the CO yield of Co Zn-In reaches a record value of 12,700μmol g-1h-1,which is 4.0,8.1,9.4,and 18.6-fold higher than that of Co Co-In,Zn Zn-In,Co-In,and Zn-In,***,the catalytic activities of Co Ni-In and Ni Zn-In also show different fold increase than those of corresponding dinuclear homometallic and mononuclear metallic *** results of control experiments and theoretical calculation reveal that the higher catalytic activities of MM-In over M-In can be ascribed to the DMSC effect,and the higher catalytic activity of MM’-In over MM-In can be ascribed to the strengthened DMSC *** work reveals the relationship between DMSC effect and bimetal centers in CO2reduction,which provides new insights into the DMSC and paves a new way to design highly active catalysts for photochemical CO2reduction.

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Observation of acoustic hybrid topological phases induced by the p-d orbital interactions

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 132-139页

作者： Xiao Xiang feng Gao Yu-Gui Peng Peng Wu Zong-Lin Li Xue-feng Zhu School of Physics and Innovation Institute Huazhong University of Science and Technology

In spinless systems,growing attention has recently been attracted to synthetic gauge fields,which redefine the fundamental crystal symmetries by utilizing the projective algebraic ***,synthetic gauge fields have been commonly investigated in single orbital systems,and explorations on hybrid orbitals remain elusive in ***,we report the experimental observation of hybrid topological phases induced by hybrid synthetic gauge flux,which is formed by the interaction between p and d orbitals embedded in acoustic *** breaking the translation symmetries of Lxand/or Ly,we unambiguously demonstrate the first-order M?bius edge states and higher-order corner *** work establishes a platform for seeking exotic topological phases induced by hybrid-orbitals interactions and initializing the framework of hybrid-orbitalsrelated topological *** applications can be anticipated in scenarios such as high-quality sensing and robust wave trapping due to the stepwise energy distribution of the hybrid topological phase.

关键词： topological insulator synthetic gauge field projective symmetry corner states

Understanding the local structure and thermophysical behavior of Mg-La liquid alloys via machine learning potential

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 439-449页

作者： Jia Zhao Taixi feng Guimin Lu National Engineering Research Center for Integrated Utilization of Salt Lake Resource East China University of Science and TechnologyShanghai 200237China Joint International Laboratory for Potassium and Lithium Strategic Resources East China University of Science and TechnologyShanghai 200237China

The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La alloys. The robustness of the trained deep potential(DP) model was thoroughly evaluated through several aspects, including root-mean-square errors(RMSEs), energy and force data, and structural information comparison results;the results indicate the carefully trained DP model is reliable. The component and temperature dependence of the local structure in the Mg-La liquid alloy was analyzed. The effect of Mg content in the system on the first coordination shell of the atomic pairs is the same as that of temperature. The pre-peak demonstrated in the structure factor indicates the presence of a medium-range ordered structure in the Mg-La liquid alloy, which is particularly pronounced in the 80at% Mg system and disappears at elevated temperatures. The density, self-diffusion coefficient, and shear viscosity for the Mg-La liquid alloy were predicted via DPMD simulation, the evolution patterns with Mg content and temperature were subsequently discussed, and a database was established accordingly. Finally, the mixing enthalpy and elemental activity of the Mg-La liquid alloy at 1200 K were reliably evaluated,which provides new guidance for related studies.

关键词： magnesium-lanthanum liquid alloys local structure macroscopic properties thermodynamic behavior deep potential mo-lecular dynamic simulation

Unraveling the mechanism of action of Shangxia Liangji formula for treating insomnia:a metabolomics and network pharmacology approach

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Traditional Medicine Research 2025年第2期10卷 16-29页

作者： Xia-Jie Quan Hao Liang Yong-Hong Tang Li Jiang Xiong-Ying Ji feng-Ying Zhang ping Zhang Bo Ouyang Department of Information The Affiliated Nanhua HospitalHengyang Medical SchoolUniversity of South ChinaHengyang 421002China Department of Neurology The Affiliated Nanhua HospitalHengyang Medical SchoolUniversity of South ChinaHengyang 421002China Department of Gastroscopy The Affiliated Nanhua HospitalHengyang Medical SchoolUniversity of South ChinaHengyang 421002China Department of Traditional Chinese Medicine The Affiliated Nanhua HospitalHengyang Medical SchoolUniversity of South ChinaHengyang 421002China

Background:Insomnia is a prevalent clinical condition and Shangxia Liangji formula(SXLJF)is a well-established method of ***,the specific mechanism of action of SXLJF remains ***:The mouse model of insomnia was established by intraperitoneal injection of ***-two mice were randomly divided into a negative control group,model group,SXLJF group(18.72 g/kg/day),and positive control group(diazepam,2 mg/kg)and treated with the corresponding drugs for 7 consecutive *** open field test and pentobarbital-induced sleeping test were ***-MS-based untargeted metabolomics and network pharmacology were applied to explore the potential targets of SXLJF for treating ***,key targets were validated using ***:Behavioral tests demonstrated that SXLJF reduced the total distance,average velocity,central distance,and sleep latency,and prolonged sleep *** and network pharmacology revealed potential targets,signaling pathways,metabolic pathways,and metabolites associated with the anti-insomnia effects of ***,tyrosine hydroxylase(TH)and tyrosine metabolism emerged as crucial metabolic pathways and targets,***-qPCR results supported the role of TH in the mechanism of SXLJF in treating ***:In conclusion,TH and tyrosine metabolism may represent significant targets and pathways for SXLJF in treating insomnia.

关键词： Shangxia Liangji formula insomnia metabolomics network pharmacology tyrosine hydroxylase tyrosine metabolism

Searching for new drugs to treat Alzheimer’s disease dementia through multiple pathways

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World Journal of Clinical Cases 2025年第1期13卷 22-28页

作者： Hua Bai Xiao-feng feng Department of Neurology The Third Affiliated Hospital of Guizhou Medical UniversityDuyun 558099Guizhou ProvinceChina Department of Neurology Wulong Branch of the People's Hospital Affiliated to Chongqing UniversityWulong 408500ChongqingChina Department of Neurology Guizhou Medical UniversityGuiyang 550004Guizhou ProvinceChina

Dementia is a group of diseases,including Alzheimer's disease(AD),vascular dementia,Lewy body dementia,frontotemporal dementia,Parkinson's disease dementia,metabolic dementia and toxic *** treatment of dementia mainly includes symptomatic treatment by controlling the primary disease and accompanying symptoms,nutritional support therapy for repairing nerve cells,psychological auxiliary treatment,and treatment that improves cognitive function through *** them,drug therapy to improve cognitive function is *** review focuses on introducing and commenting on some recent progress in exploring drugs to improve cognitive function,especially the new progress in drug treatment for *** mainly discuss the opportunities and challenges in finding and developing new therapeutic drugs from the aspects of acetylcholinesterase,N-methyl-D-aspartate glutamate receptor,amyloid protein,tau protein and chronic immune inflammation.

关键词： Alzheimer's disease Dementia Cholinesterase inhibitor Beta amyloid Tau protein

Recent advances in polyoxometalates acid-catalyzed organic reactions

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Chinese Chemical Letters 2023年第5期34卷 143-154页

作者： Yu-feng Liu chang-Wen Hu Guo-ping Yang Jiangxi Province Key Laboratory of Synthetic Chemistry Jiangxi Key Laboratory for Mass Spectrometry and InstrumentationEast China University of TechnologyNanchang 330013China Key Laboratory of Cluster Science of Ministry of Education Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion MaterialsSchool of Chemistry and Chemical EngineeringBeijing Institute of TechnologyBeijing 100081China

Polyoxometalates(POMs)have conducive properties such as controlled Bronsted and Lewis acidity,high thermal stability,nontoxic nature,tunable solubility,and less *** have been extensively applied in catalytic organic reactions and have an exciting prospect for industrial *** review summarized recent progress in the application of POMs as acid catalysts for various organic reactions including C-C bond formation,C-N bond formation,C-O bond formation,heterocyclic synthesis reactions,cyanosilylation and hydrolysis *** POMs catalysts including heteropoly acids(HPAs)and cationic functionalized HPAs with Bronsted acidity,HPAs supported on non-precious metal support with Bronsted acidity(or both Bronsted and Lewis acidity),transition metal substituted POMs with Lewis acidity were applied in above *** review attempts to provide up-to-date information about POMs acid-catalyzed organic reactions and propose future prospects.

关键词： Polyoxometalates Acid catalysis C-C bond formation C-N bond formation C-O bond formation Heterocyclic synthesis Cyanosilylation and hydrolysis reactions

A First-principles Calculation of Structures and Stability of Al_(13)I Cluster

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Chinese Journal of Structural Chemistry 2006年第2期25卷 232-239页

作者： LI Gui-Fa PENG ping YANG feng HAN Shao-chang School of Materials Science ＆ Engineering Hunan University Changsha 410082 China

Using first-principles pseudo-potential plane wave method, the energetics, geometrical and electronic structures of three Al13I cluster isomers were calculated. The calculation results of the binding energy indicate Al13I cluster is more stable than Al13 cluster although its electrons are not a magic number as in Alia cluster, and among Al13I cluster isomers the ＂Bridge＂ structure is the most stable, the second is the ＂Ontop＂ structure, and the worst is the ＂Hollow＂ structure. By analyzing the geometrical structures of Al13I cluster isomers, it is found that after I atom and Al13 cluster combine the geometrical structures of Al13 moieties are changed besides Al13I Hollow cluster, in which the Alia moiety is still a regular icosahedron. For Al13I Ontop cluster, the Al13 moiety has a shrinking trend to I, whereas in Al13I Bridge cluster it is distorted. Mulliken population analysis shows for the interaction of electrons between Al-I atoms in Al13I cluster not only there exists an ionic bonding but there is a covalent bonding. Part of electrons in the Alia cluster transfer to I as Al13 cluster and I atom combine. The order of the strength of covalent bonding between Al13 moiety and I in Al13I cluster isomers is Al13IBridge〉Al13IHollow〉Al13I Ontop. Further analysis of electric structures of Al13 and Al13I clusters indicates a higher stability of Al13I cluster than Al13 cluster can be attributed to the s-p hybridization of 3s and 3p electrons of Al in Al13 moiety induced by 1 doped, which leads to fewer electrons N（EF） at EF in Al13I and a larger energy gap △EH-L between HOMO and LUMO levels in Al13I cluster. The distinguish of structural stability of Al13I cluster isomers mainly originates from their different magnitudes .in decrease of N（EF） and increase of △EH-L relative to Al13 cluster. The fewest N（EF） and the largest △EH-L are responsible for the high stability of Al13I Bridge cluster.

关键词： Al13I cluster structural stability electronic structure,pseudo-potential plane-wave method

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中国文化“译出”路径下翻译立场的阐释

外语学刊 2025年第1期 99-105页

作者：王昌芹安丰存延边大学外国语学院延吉133002 吉林农业大学外国语学院长春130118 吉林大学外国语学院长春130012

中国文化外译渐成主流之势,中国文化“译出”路径是一种客观存在。本文基于翻译立场概念特征及其研究现状的考察,以中国文化“译入”“译出”路径下翻译立场的差异为立足点,肯定中国文化“译入”路径对传播中国文化的价值,同时强调中国... 详细信息

中国文化外译渐成主流之势,中国文化“译出”路径是一种客观存在。本文基于翻译立场概念特征及其研究现状的考察,以中国文化“译入”“译出”路径下翻译立场的差异为立足点,肯定中国文化“译入”路径对传播中国文化的价值,同时强调中国文化“译出”路径下翻译立场表达的必要性和现实性。在此基础上,从内涵特征和实现途径两方面阐释中国文化“译出”路径下的翻译立场表达。在内涵特征上,体现译者翻译立场与国家翻译立场的共场,以及动态多维的翻译批评新体系的构建;在实现途径上,倡导以“中国译者为主,外语译者为辅”的中西合作译者模式,塑造以“走进去”为导向的翻译价值观,以“异化—归化”连续统策略指导中译外翻译实践。

关键词：中国文化外译 “译出” 翻译立场翻译批评新体系译者模式翻译价值观