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配体稳定的二元过渡金属团簇[PdAu_8(PR_3)_8]^(2+)(R=Me,OMe,H,F,Cl,CN)的量子化学理论研究

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化学学报 2010年第7期68卷 611-616页

作者：仇毅翔李佳王曙光上海交通大学化学化工学院上海200240

采用从头计算MP2方法和密度泛函理论方法,对过渡金属团簇[PdAu8(PR3)8]2+(R=Me,OMe,H,F,Cl,CN)何结构、电子结构以及团簇各组成部分之间的结合能进行了研究.MP2方法和SVWN局域泛函能够对团簇的结构准确的描述,而离域泛函BP86,PBE,BLYP... 详细信息

采用从头计算MP2方法和密度泛函理论方法,对过渡金属团簇[PdAu8(PR3)8]2+(R=Me,OMe,H,F,Cl,CN)何结构、电子结构以及团簇各组成部分之间的结合能进行了研究.MP2方法和SVWN局域泛函能够对团簇的结构准确的描述,而离域泛函BP86,PBE,BLYP和杂化泛函B3LYP则过高地估计了团簇的几何结构参数.电子结构研明Pd,Au原子通过d电子的成键作用构成团簇内核[PdAu8]2+,[PdAu8]2+与PR3配体则通过'σ给予/π反馈'模式PR3配体与[PdAu8]2+的结合能够加强Pd-Au之间的成键作用,增大前线轨道能级间隙,从而提高团簇的稳定性.P体中R基团供、吸电能力的变化对[PdAu8(PR3)8]2+结构的影响较小,但对[PdAu8]2+-PR3结合能的影响较大.能量显示不同PR3与[PdAu8]2+之间具有相近的轨道作用能,与R基团供、吸电能力相关的非轨道作用能成为影响两者牢固程度的决定因素.

关键词：过渡金属团簇从头计算密度泛函电子结构能量分析

宁南山区植被恢复对土壤团聚体养分特征及微生物特性的影响

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应用生态学报 2019年第1期30卷 137-145页

作者：李秋嘉薛志婧周正朝陕西师范大学地理科学与旅游学院西安710119 西北农林科技大学水土保持研究所陕西杨凌712100

测定了宁夏黄土丘陵区植被恢复近30年的天然草地和农地不同粒径团聚体的土壤养分含量、微生物生物量、呼吸特性和生态化学计量比等指标,探索黄土丘陵区植被恢复对不同粒径土壤团聚体的养分特性和微生物学性质的影响.结果表明:微团聚体(... 详细信息

测定了宁夏黄土丘陵区植被恢复近30年的天然草地和农地不同粒径团聚体的土壤养分含量、微生物生物量、呼吸特性和生态化学计量比等指标,探索黄土丘陵区植被恢复对不同粒径土壤团聚体的养分特性和微生物学性质的影响.结果表明:微团聚体(粒径5 mm粒径团聚体基础呼吸强度显著高于其他粒径,即上述粒径团聚体的微生物生物量和微生物活性在植被恢复过程中逐渐被改善.表明宁南山区植被恢复有效改善了土壤团聚体的肥力状况与结构特征,且1～2 mm粒径团聚体的改良效果最为突出.

关键词：土壤团聚体土壤养分微生物生物量土壤呼吸植被恢复

Enhanced post-combustion CO2 capture and direct air capture by plasma surface functionalization of graphene adsorbent

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Journal of Energy Chemistry 2025年第1期100卷 653-664页

作者： Rahul Navik Eryu Wang Xiao Ding Huang Yunyi Yiyu liu jia li Guangdong-Hong Kong Joint Laboratory for Carbon Neutrality Jiangmen Laboratory of Carbon and Science and Technology Guangzhou HKUST Fok Ying Tung Research Institute The Hong Kong University of Science and Technology (Guangzhou) Carbon Neutrality and Climate Change Thrust Society Hub The Hong Kong University of Science and Technology (Guangzhou) Stoddart Institute of Molecular Science Department of Chemistry Zhejiang University

Graphene has enormous potential to capture CO2due to its unique properties and ***,graphene-based adsorbents have drawbacks of lower CO2adsorption capacity and poor *** work demonstrates a one-step rapid and sustainable N2/H2plasma treatment process to prepare graphene-based sorbent material with enhanced CO2adsorption *** treatment directly enriches amine species,increases surface area,and improves textural *** CO2adsorption capacity increases from 1.6 to 3.3 mmol/g for capturing flue gas,and from 0.14 to 1.3 mmol/g for direct air capture （DAC）.Importantly,the electrothermal property of the plasma-modified aerogels has been significantly improved,resulting in faster heating rates and significantly reducing energy consumption compared to conventional external heating for regeneration of *** aerogels display improved selectivity of 42 and 87 after plasma modification for 5 and 10 min,*** plasma-treated aerogels display minimal loss between 17%and 19% in capacity after 40 adsorption/desorption cycles,rendering excellent *** N2/H2plasma treatment of adsorbent materials would lower energy expenses and prevent negative effects on the global economy caused by climate change.

关键词： Carbon neutrality CO 2 capture Climate change Plasma treatment Graphene aerogel

经络透刺联合麦粒灸治疗脑卒中后上肢痉挛临床观察

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广西中医药大学学报 2022年第3期25卷 13-16页

作者：李秋佳广西壮族自治区江滨医院广西南宁530022

[目的]观察经络透刺联合麦粒灸治疗脑卒中后上肢痉挛的临床疗效。[方法]将60例脑卒中后上肢痉挛患者,随机分为观察组和对照组各30例,观察组采用经络透刺联合麦粒灸治疗,对照组采用常规针刺治疗。两组均每天治疗1次,连续治疗5 d后休息2 d... 详细信息

[目的]观察经络透刺联合麦粒灸治疗脑卒中后上肢痉挛的临床疗效。[方法]将60例脑卒中后上肢痉挛患者,随机分为观察组和对照组各30例,观察组采用经络透刺联合麦粒灸治疗,对照组采用常规针刺治疗。两组均每天治疗1次,连续治疗5 d后休息2 d,15次为1个疗程,共治疗2个疗程。[结果]观察组总有效率为93.33%,对照组为73.33%,观察组疗效优于对照组(P<0.05)。两组治疗后简化Fugl-Meyer运动功能量表(FMA)、Barthel指数(BI)评分均较治疗前有显著提高(P<0.01),且观察组优于对照组(P<0.01)。[结论]经络透刺联合麦粒灸治疗脑卒中后上肢痉挛患者可改善患肢痉挛程度、运动功能及日常生活能力,安全有效,可推广应用。

关键词：脑卒中上肢痉挛经络透刺麦粒灸

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“腹”与“肚”词义的断代演变

宁波教育学院学报 2010年第1期12卷 30-33页

作者：邱丽佳苏州大学文学院江苏苏州215123

先秦以来,表示腹部、肚子意义的字有腹、肚等。腹在先秦时就已经出现,而肚最早见于西汉。魏晋南北朝至隋唐时期,肚字出现的次数逐渐增加,但仍远远少于腹字出现的次数。现今肚已逐渐取代腹,表示腹部、肚子的意义。

关键词：腹肚演变更替

Unlocking the stable interface in aqueous zinc-ion battery with multifunctional xylose-based electrolyte additives

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Journal of Energy Chemistry 2025年第1期100卷 770-778页

作者： Xiaoqin li jian Xiang Lu qiu Xiaohan Chen Yinkun Zhao Yujue Wang Qu Yue Taotao Gao Wenlong liu Dan Xiao Zhaoyu Jin Panpan li Institute for Advanced Study Chengdu University School of Mechanical Engineering Chengdu University College of Food and Biological Engineering Chengdu University Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of China College of Materials Science and Engineering Sichuan University

The growth of dendrites and the side reactions occurring at the Zn anode pose significant challenges to the commercialization of aqueous Zn-ion batteries（AZIBs）. These challenges arise from the inherent conflict between mass transfer and electrochemical kinetics. In this study, we propose the use of a multifunctional electrolyte additive based on the xylose（Xylo） molecule to address these issues by modulating the solvation structure and electrode/electrolyte interface, thereby stabilizing the Zn anode. The introduction of the additive alters the solvation structure, creating steric hindrance that impedes charge transfer and then reduces electrochemical kinetics. Furthermore, in-situ analyses demonstrate that the reconstructed electrode/electrolyte interface facilitates stable and rapid Zn2+ion migration and suppresses corrosion and hydrogen evolution reactions. As a result, symmetric cells incorporating the Xylo additive exhibit significantly enhanced reversibility during the Zn plating/stripping process, with an impressively long lifespan of up to 1986 h, compared to cells using pure ZnSO4electrolyte. When combined with a polyaniline cathode, the full cells demonstrate improved capacity and long-term cyclic stability. This work offers an effective direction for improving the stability of Zn anode via electrolyte design, as well as highperformance AZIBs.

关键词： Solvation

黄土丘陵区植物群落多样性及生物量随土壤水分梯度变化特征

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生态学杂志 2021年第1期40卷 31-40页

作者：何欣月王宁刘均阳李秋嘉陕西师范大学地理科学与旅游学院陕西师范大学地理学国家级实验教学示范中心西安710119

了解土壤水分与物种多样性及生物量的关系对探究植物群落特征与分布具有重要意义。以陕北黄土丘陵区吴起、米脂、府谷、定边4个典型区域为研究对象,对比分析降水量影响下的土壤水分梯度对自然恢复植物群落多样性、生物量的影响,为黄土... 详细信息

了解土壤水分与物种多样性及生物量的关系对探究植物群落特征与分布具有重要意义。以陕北黄土丘陵区吴起、米脂、府谷、定边4个典型区域为研究对象,对比分析降水量影响下的土壤水分梯度对自然恢复植物群落多样性、生物量的影响,为黄土丘陵区植被恢复和生物多样性管理提供科学依据。结果表明:随降水量自东南向西北逐渐减少土壤水分呈降低趋势,吴起、米脂、府谷和定边平均土壤含水量分别为9.77%、9.40%、7.91%和6.40%;4个区域调查统计到植物24科56属71种,其中禾本科、菊科、豆科植物占多数且以草本植物为主;随着土壤含水量降低,4个典型区域植物群落物种组成具有较低的相似性,说明物种组成随土壤水分变化而更替;同时,群落生物量、Margalef指数、Shannon指数以及Pielou指数均表现出逐渐降低趋势,且群落生物量、Margalef指数、Shannon指数与浅层土壤含水量呈显著正相关。研究表明,土壤水分变化对群落物种组成、植物群落多样性及生物量有重要的影响,研究区植被恢复建设必须要考虑土壤水分承载力。

关键词：陕北物种多样性生产力土壤含水量植被恢复

Synergistic promotion strategy of “dual-site” and “dual-path” to enhance the C–C coupling between CO2 and HCHO driven by photoelectrocatalysis

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Journal of Energy Chemistry 2025年第1期100卷 39-49页

作者： Hongqiang Yang jianfeng Zheng Guoyu Wang Yifei Gao Yatao Yang jia li Xiaojin Han Yan Cui Zhanggen Huang National Key Laboratory of High Efficiency and Low Carbon Utilization of Coal Institute of Coal Chemistry Chinese Academy of Science University of Chinese Academy of Science Shenyang University of Chemical Technology

Photoelectrocatalytic coupling CO2and volatile organic compounds （VOCs） is a promising green strategy for the synergistic conversion of the two carbon-containing resources to *** catalytic efficiency is always at the mercy of chemical inertness of CO2and the competitive hydrogen evolution of ***,a modified g-C3N4/ZnAl-LDH Z-scheme heterojunction catalyst with dual reaction site was rationally designed and precisely *** Faraday efficiency of ethanol reached 68.67%with a corresponding formation rate of 227.3μmol *** revealed by in-situ characterizations and density functional theory calculations,CO2and HCHO were absorbed at Zn site and N site,***,*CO generated from CO2and HCHO was converted to*CH3O and*CHO on the dual-active-site *** detailed reaction mechanism experiments indicated that C–C coupling only occurred between*CO and*CH3O in electrocatalysis *** from the“*CO+*CH3O”path,another“*CO+*CHO”coupling path was also detected in photoelectrocatalytic *** selectivity of ethanol was significantly enhanced due to the synthesis of dual-site catalyst and the dual-path coupling path between CO2and HCHO simultaneously driven by light and electricity.

关键词： Photoelectrocatalysis Z-scheme C–C coupling Ethanol

Passive activity enhances residual control ability in patients with complete spinal cord injury

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Neural Regeneration Research 2025年第8期20卷 2337-2347页

作者： Yanqing Xiao Mingming Gao Zejia He jia Zheng Hongming Bai jia-Sheng Rao Guiyun Song Wei Song Xiaoguang li Beijing Key Laboratory for Biomaterials and Neural Regeneration Beijing Advanced Innovation Center for Biomedical EngineeringSchool of Biological Science and Medical EngineeringBeihang UniversityBeijingChina Department of Rehabilitation Evaluation China Rehabilitation Research CenterBeijingChina Cardiac Center Beijing Children’s HospitalCapital Medical UniversityBeijingChina The State Key Laboratory of Virtual Reality Technology and Systems Beihang UniversityBeijingChina Department of Rehabilitation Engineering China Rehabilitation Science InstituteBeijingChina

Patients with complete spinal cord injury retain the potential for volitional muscle activity in muscles located below the spinal injury ***,because of prolonged inactivity,initial attempts to activate these muscles may not effectively engage any of the remaining neurons in the descending pathway.A previous study unexpectedly found that a brief clinical round of passive activity significantly increased volitional muscle activation,as measured by surface *** this study,we further explored the effect of passive activity on surface electromyographic signals during volitional control tasks among individuals with complete spinal cord *** patients with chronic complete thoracic spinal cord injury were *** electromyography data from eight major leg muscles were acquired and compared before and after the passive activity *** results indicated that the passive activity led to an increased number of activated volitional muscles and an increased frequency of *** the cumulative root mean square of surface electromyography amplitude for volitional control of movement showed a slight increase after passive activity,the difference was not statistically *** findings suggest that brief passive activity may enhance the ability to initiate volitional muscle activity during surface electromyography tasks and underscore the potential of passive activity for improving residual motor control among patients with motor complete spinal cord injury.

关键词： complete spinal cord injury cycle training epidural electrical stimulation motor training passive activity physiological state spinal cord circuit surface electromyography volitional control task