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Theoretical Studies on the Dihydrogen Bonding Between Shortchain Hydrocarbon and Magnesium Hydride

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Chemical Research in Chinese Universities 2014年第5期30卷 831-836页

作者： LI Li BAI Fuquan zhang hongxing State Key Laboratory of Theoretical and Computational Chemistry Institute of Theoretical Chemistry Jilin University Changchun 130021 P. R. China

The C--H…H dihydrogen-bonded complexes of methane, ethylene, acetylene, and their derivatives with magnesium hydride were systematically investigated at MP2/aug-cc-PVTZ level. The results confirm that the strength of dihydrogen bonding increases in the following order of proton donors： C（sp3）-H〈C（sp2）-H〈C（sp）-H and chlorine substituents enhance the C-H…H interaction. In the majority of the complexes with a cyclic structure, the Mg-H proton-accepting bond is more sensitive to the surroundings than C-H proton-donating bond. The nature of the electrostatic interaction in these C-H…H dihydrogen bonds was also unveiled by means of the atoms in mo- lecules（AIM） analysis. The natural bond orbital（NBO） analysis suggests that the charge transfer in the cyclic com- plexes is characteristic of dual-channel. The direction of the net charge transfer in the cyclic complexes is contrary to that previously found in dihydrogen bonded systems.

关键词： Dihydrogen bond Atom in molecule(AIM) theory Bond critical point Natural bond orbital(NBO) Chargetransfer

智能针灸临床决策支持系统研究现状及发展策略

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中华针灸电子杂志 2024年第2期13卷 50-55页

作者：潘小丽白丽丽金舒文刘嘉宝刘曼琦何川张红星湖北中医药大学针灸骨伤学院武汉430061 湖北时珍实验室武汉430061 江汉大学针灸研究所武汉430056

临床决策支持系统(CDSS)是智慧医院建设的必然发展趋势,可有效提高医师诊疗水平、缓解医疗资源紧张及降低医疗成本,但CDSS在针灸领域的应用尚处于初级阶段。在介绍CDSS概念的同时,对智能针灸CDSS不同时期的发展历程、特点及应用情况进... 详细信息

临床决策支持系统(CDSS)是智慧医院建设的必然发展趋势,可有效提高医师诊疗水平、缓解医疗资源紧张及降低医疗成本,但CDSS在针灸领域的应用尚处于初级阶段。在介绍CDSS概念的同时,对智能针灸CDSS不同时期的发展历程、特点及应用情况进行系统介绍,分析总结CDSS在针灸领域应用过程中可能面临的系统性能问题、医学伦理风险、技术人才缺乏等挑战,并针对今后智能针灸CDSS的发展提供一些解决思路,旨在促进针灸智能化更好地发展。

关键词：针灸疗法人工智能决策支持系统,临床

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抗击癌症之光——光动力治疗

大学化学 2024年第5期39卷 70-79页

作者：吕鑫张洪星段凯博戴文惠文智慧郭炜郝俊生山西大学化学化工学院太原030006

光动力治疗是利用“光敏剂”和“光”治疗肿瘤的一种新方法,用特定波长的光照射肿瘤部位,可以使聚集在肿瘤的光敏剂活化,产生高氧化性的活性氧而破坏肿瘤。与手术治疗、化疗、辐射治疗相比,光动力治疗具有操作简单、靶向性好、无创或微... 详细信息

光动力治疗是利用“光敏剂”和“光”治疗肿瘤的一种新方法,用特定波长的光照射肿瘤部位,可以使聚集在肿瘤的光敏剂活化,产生高氧化性的活性氧而破坏肿瘤。与手术治疗、化疗、辐射治疗相比,光动力治疗具有操作简单、靶向性好、无创或微创、无耐药性、可激活全身免疫等特点。该治疗方法在发达国家已基本普及,目前在我国正处于推广阶段,公众对光动力治疗还不甚了解,因此急需进行科学普及。在此背景下,我们利用实验室化学合成的靶向型“硒-罗丹明”光敏剂,设计了肿瘤靶向的光动力治疗科普实验,包括靶向光敏剂的酶激活,单线态氧的可视化检测以及光动力杀死癌细胞三个环节。通过该科普实验,生动诠释了靶向型光动力治疗的科学原理,提高了公众对光动力治疗癌症的认知,将大大促进光动力治疗在我国的推广,也体现了化学在肿瘤治疗方面的重要作用。整个科普实验操作简单、形象直观,并在科普实践中显示出良好效果。

关键词：光动力治疗光敏剂酶激活单线态氧可视化检测

Ethynyl Substitution Effect on the Electronic Excitation Spectra of Aniline

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Chemical Research in Chinese Universities 2016年第2期32卷 268-271页

作者： WANG Yang ZHAO Zengxia zhang hongxing International Joint Research Laboratory of Nano-micro Architecture Chemistry Institute of Theoretical Chemistry Jilin University Changchun 130021 P. R. China

We made an extended study on the structure and properties of the low-lying electronic states of ethynyl substituted aniline and their cations. We performed these calculations using density functional theory method（B3LYP and CAM-B3LYP DFT） and the complete active space self-consistent field（CASSCF） approach in connection with the aug-cc-pVZ Dunning＇s basis sets and concerted ANO-L-VDZP basis sets. Our results included their equilibrium geometries, the vertical excitation spectra and the vertical and adiabatic ionization energies. The effect of ethynyl substitution on the electronic structure and the spectroscopy of aniline was probed.

关键词： Electronic excited state Vibrational spectrum Complete active space self-consistent field(CASSCF)

Solution-processed wafer-scale nanoassembly of conducting polymers enables selective ultratrace nerve agent detection at low power

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Nano Research 2023年第4期16卷 5653-5664页

作者： Bin Luo Jianan Weng Zhi Geng Qichao Pan Xilin Pei Yong He Chuanzhi Chen hongxing zhang Renbo Wei Yupeng Yuan Jin Yang Jinyi Ma Zhengwei You Bo Zhu School of Materials Science and Engineering&Shanghai Engineering Research Center of Organ Repair Shanghai UniversityShanghai 200444China Innovation Center for Textile Science and Technology Donghua UniversityShanghai 201620China Institute of NBC Defense P.O.Box 1048Beijing 102205China School of Chemical Engineering Northwest UniversityXi’an 710069China th Institute of China Electronics Technology Group Chongqing 400060China State Key Laboratory for Modification of Chemical Fibers and Polymer Materials College of Material Science and EngineeringDonghua UniversityShanghai 201620China

There is a great interest in developing microelectronic devices based on nanostructured conducting polymers that can selectively electro-couple analytes at high sensitivity and low *** conducting polymers have emerged as promising candidates for this technology due to their excellent stability with low redox potential,high conductivity,and selectivity endowed by chemical ***,it remains challenging to develop cost-effective and large-scale assembly approaches for functionalized conducting polymers in the practical fabrication of electronic ***,we reported a straightforward waferscale assembly of nanostructured hexafluoroisopropanol functionalized poly(3,4-ethylenedioxythiophene)(PEDOT-HFIP)on smooth *** approach is template-free,solution-processed,and adaptable to conductive and nonconductive *** this approach,the nanostructured PEDOT-HFIPs could be easily integrated onto interdigitated electrodes with intimate ohmic *** the optimized space-to-volume ratio,we demonstrated a low-power,sensitive,and selective nerve agent sensing technology using this platform by detecting sarin vapor with a limit of detection(LOD)of 10 ppb and signal strength of 400 times the water interference at the same concentration,offering significant advantages over existing similar *** envision that its easy scale-up,micro size,small power consumption,and combination of high sensitivity and selectivity make it attractive for various wearable platforms.

关键词： conducting polymer PEDOT sensor nano nerve agent

Characteristics and anthropogenic sources of carbonyl sulfide in Beijing

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Journal of Environmental Sciences 2015年第2期27卷 163-170页

作者： Ye Cheng Chenglong zhang Yuanyuan zhang hongxing zhang Xu Sun Yujing Mu Research Center for Eco-Environmental Sciences Chinese Academy of Sciences

Atmospheric mixing ratios of carbonyl sulfide（COS） in Beijing were intensively measured from March 2011 to June 2013. COS mixing ratios exhibited distinct seasonal variation, with a maximum average value of 849 ± 477 pptv in winter and a minimal value of 372 ± 115 pptv in summer. The seasonal variation of COS was mainly ascribed to the combined effects of vegetation uptake and anthropogenic emissions. Two types of significant linear correlations（R2〉 0.66） were found between COS and CO during the periods from May to June and from October to March, with slopes（ΔCOS/ΔCO） of 0.72 and 0.14 pptv/ppbv, respectively. Based on the emission ratios of COS/CO from various sources, the dominant anthropogenic sources of COS in Beijing were found to be vehicle tire wear in summer and coal burning in winter. The total anthropogenic emission of COS in Beijing was roughly estimated as 0.53 ± 0.02 Gg/year based on the local CO emission inventory and the ΔCOS/ΔCO ratios.

关键词： Carbonyl sulfide Anthropogenic sources Vehicle tire wire Coal combustion Carbon monoxide

Summary of zhang hongxing's Experience in Treating Refractory Angina Pectoris with Traditional Chinese Medicine

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Journal of Clinical and Nursing Research 2021年第3期5卷 115-119页

作者： Fen Han hongxing zhang Dezhou Hospital of Traditional Chinese Medicine Dezhou 253000Shandong ProvinceChina

As a famous traditional Chinese medicine(TCM)expert in Shandong province and a famous veteran TCM expert in Dezhou city,zhang hongxing has been engaged in cardiovascular clinical work for more than 30 *** has unique experience in the treatment of refractory angina *** paper comprehensively explains from the aspects of etiology and *** treatment is mostly based on syndrome differentiation,combined with the basic pharmacology of modem Chinese medicine to formulate prescriptions and drugs,and at the same time values the use of insect *** hereby attach the clinical records,hoping to provide reference for clinical workers,which is conducive to the inheritance and development of famous Chinese medical academic experience.

关键词： zhang hongxing Refractory angina pectoris Traditional Chinese medicine treatment Famous Chinese medical academic experience

zhang hongxing's Experience in Exogenous Cough Treatment

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Journal of Clinical and Nursing Research 2020年第6期4卷 75-78页

作者： Renjie Zhou hongxing zhang zhang hongxing Famous Old Chinese Medicine Experts Inberitance Studio Dezhou Hospital of Traditional Chinese MedicineDezhou 25300Shandong ProvinceChina

Cough is a common clinical symptom,throughout history the medical experts have different discussions on the diagnosis and treatment of cough and put forward different theories on the treatment of *** physician zhang hongxing is a famous old doctor of traditional Chinese medicine in Dezhou city with rich experience in clinical practice and unique academic *** the treatment of exogenous cough,Director zhang stressed that the differentiation of syndromes should be focused on‘wind' and pay attention to the role of liver‘wind’in *** prescription of medicines should emphasize on dispelling the‘wind’first,to dispel the external‘wind',but also to calm the internal‘wind’and making good use of Uncaria in *** experience for clinical diagnosis and treatment of exogenous cough was provided.

关键词： Exogenous cough Wind evil Liver wind Uncaria

Numerical investigation on tsunami wave mitigation on forest sloping beach

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Acta Oceanologica Sinica 2020年第1期39卷 130-140页

作者： Mingliang zhang Yongpeng Ji Yini Wang hongxing zhang Tianping Xu School of Ocean Science and Environment Dalian Ocean University

An explicit one-dimensional model based on the shallow water equations(SWEs) was established in this work to simulate tsunami wave propagation on a vegetated beach. This model adopted the finite-volume method(FVM)for maintaining the mass balance of these equations. The resistance force caused by vegetation was taken into account as a source term in the momentum equation. The Harten–Lax–van Leer(HLL) approximate Riemann solver was applied to evaluate the interface fluxes for tracing the wet/dry transition boundary. This proposed model was used to simulate solitary wave run-up and long-periodic wave propagation on a sloping beach. The calibration process suitably compared the calculated results with the measured data. The tsunami waves were also simulated to discuss the water depth, tsunami force, as well as the current speed in absence of and in presence of forest domain. The results indicated that forest growth at the beach reduced wave energy loss caused by tsunamis. A series of sensitivity analyses were conducted with respect to variable parameters(such as vegetation densities, wave heights, wave periods, bed resistance, and beach slopes) to identify important influences on mitigating tsunami damage on coastal forest beach.

关键词： shallow water equations HLL scheme tsunami waves coastal vegetation wave propagation