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Chemical Research in Chinese Universities 2015年第2期31卷 276-280页

作者： XIA Hongqiang WANG Jian JIA Ran WANG Qin zhang hongxing State Key Laboratory of Theoretical and Computational Chemistry Institute of Theoretical Chemistry Jilin University Changchun 130021 P. R. China

The electronic structures, absorption spectra and intramolecular charge transfer properties of five push-pull zinc porphyrin analogs with different donor group and π bridge have been investigated by density functional theory（DFT） and TD（time-dependent）-DFT approach. The results show that the asymmetrical substituted diphenylamine group is favorable to the Q-band absorption of porphyrin dyes. The absence of the acetylenic bond in the π bridge part leads to the result that the B-band and the Q-band are blue-shifted and their absorption strength become weaker compared with that containing acetylenic bond, respectively. The introduction of the benzothiadiazole into the π bridge improves the intramolecular charge transfer.

关键词： Dye-sensitized solar cell Density functional theory Push-pull zinc porphyrin Absorption spectrum Intramolecular charge transfer

Changes of blood biochemical indexes in stroke patients after scalp acupuncture:A randomized controlled observation

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Neural Regeneration Research 2006年第7期1卷 630-633页

作者： hongxing zhang Li Zhou Tangfa zhang Guofu Huang Department of Acupuncture and Moxibustion Wuhan Hospital of Integrated Traditional Chinese and Western MedicineWuhan 430022Hubei ProvinceChina

BACKGROUND:Hemorrheologic indexes and the disturbances of lipid metabolism are closely correlated with *** scalp acupuncture can correct the abnormality of hemorrheologic indexes,and improve the hyperviscosity of stroke patients,and then ameliorate their brain function?OBJECTIVE:To observe the curative effect of internationally standardized scheme of scalp acupuncture on stroke,and analyze the influence of scalp acupuncture on the hemorrheologic indexes,levels of blood lipids and plasma endothelin in stroke ***:A randomized controlled ***:Department of Acupuncture and Moxibustion,Wuhan Hospital of Integrated Traditional Chinese and Western ***:Totally 128 stroke inpatients were selected from the Department of Acupuncture and Moxibustion,Wuhan Hospital of Integrated Traditional Chinese and Western Medicine from May 2000 to June 2005,including 72 males and 56 females,with an average age of(64±37)*** the subjects were accorded with the diagnostic standards of stroke in the criteria for the traditional Chinese medicine(TCM)diagnosis and efficacy evaluation(in trial)and the diagnostic key points for cerebrovascular diseases revised by Chinese Association of Neurology,and they were all confirmed by cranial CT *** the 128 patients,there 73 cases of cerebral infarction,48 of cerebral hemorrhage,and 7 of mixed *** TCM diagnosis,there were 79 cases of stroke involving channels and 49 cases of stroke involving zangfu *** stroke patients with randomly divided into scalp acupuncture group(n=66)and body acupuncture group(n=62).Meanwhile,15 healthy physical examinees were taken as the normal control *** the subjects were informed and agreed with the treatment ***:①Scalp acupuncture group:Anterior oblique line of vertex-temporal[from Qianshencong to Xuanli(GB 6)]and posterior oblique line of vertex-temporal[from Baihui(DU 20)to Qubin(GB 7)]were selected as the acupoints to perform ac

关键词： acupuncture endothelin lipids minutes biochemical curative Acupuncture sensation apolipoprotein needle

Theoretical studies of the structures and spectroscopic properties of the photoelectrochemical cell ruthenium sensitizers,C101 and J13

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Science China Chemistry 2012年第3期55卷 398-408页

作者： CHEN Jie BAI FuQuan WANG Jian SUN Lei PAN QingJiang zhang hongxing State Key Laboratory of Theoretical and Computational Chemistry Institute of Theoretical Chemistry Jilin UniversityChangchun 130023China Key Laboratory of Functional Inorganic Material Chemistry of Education Ministry School of Chemistry&Materials Science Heilongjiang UniversityHarbin 150080China

A variety of heteroleptic ruthenium sensitizers have been engineered and synthesized because of their higher light-harvesting efficiency and lower charge-recombination possibility than the well known homoleptic N3 dye. As such, a great deal of atten- tion has been focused on sensitizers with the general formula Ru（ancillary-ligand）（anchoring-ligand）（NCS）2, among which important examples are Ru（4,4＇-bis（5-hexylthiophen-2-yl）-2,2＇-bipyridine）（4,4＇-carboxylic acid-4＇-2,2＇-bipyridine）（NCS）2 （C101） and Ru（N-（4-butoxyphenyl）-N-2-pyridinyl-2-pyridinamine）（4,4＇-carboxylic acid-4＇-2,2＇-bipyridine）（NCS）2 （J13）. In order to simulate experimental conditions with different pH values, the photosensitizing processes of these sensitizers pos- sessing different degrees of deprotonation （2I-I, lit to OH） have been explored theoretically in this work. Their ground/excited state geometries, electronic structures and spectroscopic properties are first calculated using density functional theory （DFT） and time-dependent DFT （TDDFT）. The absorption and emission spectra of all the complexes in acetonitrile solution are also predicted at the TDDFT （B3LYP） level. The calculated results show that the ancillary ligand contributes to the molecular or- bital （MO） energy levels and absorption transitions. It is intriguing to observe that the introduction of a thiophene group into the ancillary ligand leads directly to the increased energy of the absorption transitions in the 380-450 nm region. The calcula- tions reveal that although deprotonation destabilizes the overall frontier MOs of the chromophores, it tends to exert a greater influence on the unoccupied orbitals than on the occupied orbitals. Consequently, an obvious blue shift was observed for the absorptions and emissions in going from 21-1, 1H to OH. Finally, the optimal degree of deprotonation for C101 and J13 has al- so been evaluated, which is expected to lead to further improvements in the performance of dye-sensitized solar cells （DS

关键词： DSSCs heteroleptic ruthenium sensitizers excited state TDDFT calculations

Research on the Heat Transfer Characteristics of a Loop Heat Pipe Used as Mainline Heat Transfer Mode for Spacecraft

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Journal of Thermal Science 2019年第4期28卷 736-744页

作者： WANG Lu MIAO Jianyin GONG Mingming ZHOU Qiangu LIU Changu zhang hongxing FAN Hanlin Beijing Key Laboratory of Space Thermal Control Beijing 100094China Institute of Spacecraft System Engineering Beijing 100094China

An experimental research is conducted on the heat transfer characteristics of a loop heat pipe(LHP)used in the"mainline"heat transfer mode for spacecraft platform thermal *** heat from multiple instruments scattered in different locations is collected by thermal control techniques such as axially grooved heat pipes and then transmitted to the radiant surface for dissipation through the LHP in an unified *** research contents include the start-up characteristics,the operational stability characteristics,the operational blocking characteristics,the continuous blocking characteristics,the heat transfer capability,the thermal resistance,and the dynamic response characteristics under the change of the heat sink *** results show that the higher the auxiliary starting power is,the easier it is to start the LHP;the higher the input power of the thermoelectric cooler is,the more beneficial it is to speed up the stabilization of the vapor-liquid interface in the condenser;the higher the blocking power,the shorter the blocking time of the LHP;the LHP can be operated stably within the heat sink temperature alteration process;the heat transfer ability is higher than 500 W with a systematic thermal resistance of 0.037℃/W.

关键词： LHP mainline heat transfer mode heat transfer characteristics

3D-Graphene/Boron Nitride-stacking Material： a Fundamental van der Waals Heterostructure

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Chemical Research in Chinese Universities 2018年第3期34卷 434-439页

作者： FU Peng JIA Ran WANG Jiana Roberts I. EGLITIS zhang hongxing Institute of Theoretical Chemistry Jilin University Changchun 130021 P. R. China Institute of Solid State Physics University of Latvia 8 Kengaraga Str. Riga LV1067 Latvia

The 3D periodic graphene/h-BN（G/BN） heterostuctures were studied. The stacking forms between the graphene and h-BN layers were discussed. The varieties of the geometric and electronic configurations at the inte face between graphene and h-BN layers were also reported. The metal-semiconductor transform of the G/BN material can be achieved by adjusting the stacking form of the h-BN layers or changing the proportion of graphene layers in the unit cell. An electrostatic potential well was found at the interface. Due to the potential well and the only dispersion correlation at the interface, the dielectric constant εzz in vertical direction was independent on the variety of the thickness or the proportion of the compositions in an unit cell.

关键词： van der Waals heterostructure Graphene h-BN Density functional theory Electronic property

Evaluation of three tracers for labeling distal cerebrospinal fluidcontacting neurons

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Neuroscience Bulletin 2013年第5期29卷 576-580页

作者： Fang Zhou Jiayou Wang hongxing zhang He Liu Guangping Zhao Cuihua Zu Xiaoxing Lu Licai zhang Department of Anesthesiology The First Clinical College China Medical University Jiangsu Province Key Laboratory of Anesthesiology Xuzhou Medical College Jiangsu Key Laboratory of Brain Disease Bioinformation Xuzhou Medical College NursingSchool Xuzhou Medical College Jiangsu Province Key Laboratory of Anesthesiology Xuzhou Medical College

It has been reported that distal cerebrospinal fluidcontacting neurons（dCSF-CNs）can be detected by immunohistochemical assay using cholera toxin subunit B-conjugated horseradish peroxidase（CBHRP）.In the present study,another two methods with CB alone or CB-conjugated FITC（CB-FITC）were used,and the results from the three methods were *** Sprague-Dawley rats were randomly divided into three groups with CB-HRP,CB or *** were diluted to 30%in artificial cerebrospinal fluid and injected separately（in a volume of 3μL）into the lateral *** from the CB-HRP and CB groups were perfused 48 h after surgery while animals from the CB-FITC group were perfused 1,3,6,12,24 or 48 h after *** brain was sectioned（40μm）for immunofluorescence and five sections with positive neurons were selected from each rat for neuron *** clusters of positive neurons in a＇Y-like＇distribution were detected ventral to the cerebral aqueduct of rats from the three *** significant difference was observed among the quantitative *** the CB-FITC group,stable staining was detected even at 6 h after *** together,lateral ventricle injection of CB/CB-FITC is a useful method for labeling dCSFCNs in *** CB-FITC method makes dCSF-CNs labeling much simpler and more convenient.

关键词： distal cerebrospinal fluid-contacting neurons cholera toxin subunit B-conjugated horseradish peroxidase cholera toxin subunit B cholera toxin subunit B-conjugated FITC label

考虑高温蠕变损伤的服役金属屈服强度模型探析

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力学与实践 2024年第4期46卷 830-835页

作者：谢志刚李方军陈小芹张红星汕头职业技术学院广东汕头515078 交通运输部水运科学研究院北京100088 嘉兴市特种设备检验检测院浙江嘉兴314050

在役设备长期承受高温高压且无法预测其重要力学性能指标,有必要建立考虑高温蠕变损伤的屈服强度模型。传统屈服准则未考虑温度的影响以及材料有效杨氏模量随损伤下降的趋势。在阐述金属温度相关性屈服强度理论模型和K-R蠕变损伤本构方... 详细信息

在役设备长期承受高温高压且无法预测其重要力学性能指标,有必要建立考虑高温蠕变损伤的屈服强度模型。传统屈服准则未考虑温度的影响以及材料有效杨氏模量随损伤下降的趋势。在阐述金属温度相关性屈服强度理论模型和K-R蠕变损伤本构方程的基础上,通过建立服役杨氏模量与蠕变损伤内变量的内在联系,推导出考虑高温蠕变损伤的服役金属屈服强度模型。以SA508-Ⅲ钢材料为例,开展了蠕变中断+高温拉伸试验,理论计算与试验结果呈现一致性。

关键词：温度相关性蠕变损伤屈服强度 SA508-Ⅲ钢

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基于钎焊工艺的环路热管耦合系统设计及验证

中国空间科学技术(中英文) 2024年第5期44卷 57-65页

作者：孟恒辉徐亚威韩东阳刘鑫耿利寅张庆君刘立平张红星王玉莹北京空间飞行器总体设计部航天器热控全国重点实验室北京卫星制造厂有限公司中国空间技术研究院遥感卫星总体部

随着航天技术的发展，航天器的功能集成度提升，对系统散热要求越来越高。环路热管作为一种两相态高效传热部件，具备远距离、逆重力、布局灵活等特点，常应用于单一热源下的定向热量传输；对于多点热源的复杂环境，环路热管系统稳定性... 详细信息

随着航天技术的发展，航天器的功能集成度提升，对系统散热要求越来越高。环路热管作为一种两相态高效传热部件，具备远距离、逆重力、布局灵活等特点，常应用于单一热源下的定向热量传输；对于多点热源的复杂环境，环路热管系统稳定性差，一般很难适应。针对复杂空间热流下多点分散热源的散热需求，设计了一种基于钎焊工艺的环路热管强耦合热管理系统，对关键耦合参数进行了敏感性分析，并开展了相关试验，验证了界面低热阻、强耦合等关键技术的可行性，提升平台散热能力达52%。环路热管实现了在陆地探测四号01星载荷舱上的应用，为国际首次在平台系统的大规模应用，载荷舱散热能力由4 kW提升到6 kW,为大功率固态放大器提供0～20℃在轨温度环境。环路热管突破了在平台应用的约束限制，为后续环路热管的热耦合系统设计提供借鉴。

关键词：环路热管航天器热耦合换热热管理钎焊

Porous Organic Polymer Nanoparticles for Sensing of Unsaturated Hydrocarbons

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Chemical Research in Chinese Universities 2018年第6期34卷 1035-1040页

作者： LIU Zhi XU Feifan ZHAO Zhijie HE Yuhua zhang hongxing ZOU Guangtian LI Yangxue Key Lab of Groundwater Resources and Environment Ministry of Education Jilin University Changchun 130021 P. R. China State Key Laboratory of Superhard Mataterials Jilin University Changchun 130012 P. R. China International Joint Research Laboratory of Nano-micro Architecture Institute of Theoretical Chemistry Jilin University Changehun 130021 P. R. China

The design and synthesis of porous organic polymers for the potential application in chemical sensors remains a huge challenge nowadays. Herein, a porous organic polymer possessing tetrazole groups（TTZ-3） was synthe-sized via simple Schiff base chemical reaction. Thermogravimetric analysis（TGA）, Fourier transform infrared spec- trometer（FTIR）, solid-state 13C cross polarization/magic angle spinning nuclear magnetic resonance（CP/MAS NMR）, transmission electron microscopies（TEM） and field-scanning electron microscopies（FE-SEM） were adopted to cha- racterize the structure and morphology in detail. Significantly, the formed polymers exhibited special detection of unsaturated hydrocarbons through fluorescence enhancement based on photoactivatable 1,3-dipolar cycloaddition reactions. Furthermore, the reaction activity of different unsaturated hydrocarbons towards the polymers was investigated. This work highlights the great potential of porous organic polymers as chemical sensors in realizing environmental pollution monitoring and reducing the incidence of disease, such as chronic obstructive pulmonary disease.

关键词： Chronic obstructive pulmonary disease Porous organic polymer 1,3-Dipolar cycloaddition Air pollution Unsaturated hydrocarbons detection

Insight into the Urea Binding and K166R Mutation Stabilizing Mechanism of TIpB： Molecular Dynamics and Principal Component Analysis Study

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Chemical Research in Chinese Universities 2014年第6期30卷 1011-1017页

作者： WU Yunjian ZHENG Qingchuan XU Yu CHU Wenting CUI Yinglu WANG Yan zhang hongxing State Key Laboratory of Theoretical and Computational Chemistry Institute of Theoretical Chemistry Jilin University Changchun 130021 P R. China

Chemoreceptor TlpB（Tlp=transducer-like protein）, which has been demonstrated to respond to pH sensing function, is crucial for the survival ofHelicobacterpylori（H, pylori） in host stomach. Urea was proposed to be essen- tial for TlpB＇s pH sensing function via binding with the Per-ARNT-Sim（PAS） domain of TlpB. Additionally, KI66R mutation of the TlpB protein has also been proven to have a similar effect on TlpB pH sensing as urea binding. Al- though X-ray crystallographic studies have been carried out for urea-bound Tlpl3, the molecular mechanism for the stabilization of TIpB induced by urea binding and K166R mutation remains to be elucidated. In this study, molecular dynamics simulations combined with principal component analysis（PCA） for the simulation results were used to gain an insight into the molecular mechanism of the stabilization of urea on TlpB protein. The formed H-bonds and salt-bridges surrounding Aspll4, which were induced by both urea binding and K166R mutation of TIpB, were im- portant to the stabilization of TlpB by urea. The similarity between the urea binding and K166R mutation as well as their differences in effect has been explicitly demonstrated with computer simulations at atomic-level. The findings may Dave the wav for the further researches of TlpB.

关键词： TlpB Per-ARNT-Sim(PAS) domain Molecular dynamics simulation Principal component analysis