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Geometry, Electronic Structure, and Related Properties of Dye Sensitizer： 3,4-bis[1- （carboxymethyl）-3-indolyl]- 1 H-pyrrole-2,5-dione

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Chinese Journal of Chemical Physics 2009年第1期22卷 63-68页

作者： Cai-rong Zhang You-zhi Wu Yu-hong chen Yu-tian Ding Ding-jun Zhang hong-shan chen Department of Applied Physics Lanzhou University of Technology Lanzhou 730050 China School of Material Science and Engineering Lanzhou University of Technology Lanzhou 730050 China College of Physics and Electronic Engineering Northwest Normal University Lanzhou 730070 China

The geometry, electronic structure, polarizability and hyperpolarizability of dye sensitizer 3,4-bis[1-（carboxymethyl）-3-indolyl]-1H-pyrrole-2,5-dione （BIMCOOH） were studied using density functional theory （DFT） with hybrid functional B3LYP, and the electronic absorption spectra were investigated using semi-empirical quantum chemical method ZINDO-1 and time-dependent DFT （TDDFT）. The results of natural bond orbital suggest that the natural charges of the dione, indole, and acetic groups are about 0.15e, -0.29e, and 0.44e, respectively. The calculated isotropic polarizability, polarizability anisotropy invariant and hyperpolarizability are 305.4, 188.3, and 1155.4 a.u., respectively. The electronic absorption spectral features in visible and near-UV region were assigned to the π→π^＊ transition due to the qualitative agreement between the experiment and the TDDFT calculations, and the transitions of the excited states 9-11 related to photoinduced intramolecular charge transfer processes. The analysis of electronic structure and UV-Vis absorption indicates that the indole groups primarily contributed sensitization of photo-to-currency conversion processes, and the interracial electron transfer between semiconductor TiO2 electrode and dye sensitizer BIMCOOH are electron injection processes from excited states of the dyes to the semiconductor conduction band.

关键词： Dye sensitizer Electronic structure Density functional theory Absorption spectrum

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Chemical Composition and Biological Activities of Essential Oil from the Rhizomes of Iris bulleyana

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Agricultural Sciences in China 2009年第6期8卷 691-696页

作者： DENG Guo-bin ZHANG Han-bo XUE hong-fen chen shan-na chen Xiao-lan Department of Biology Yunnan University Kunming 650091 P.R.China

Iris bulleyana has long been used as a remedy for detoxication and detumescence. Hydrodistillation was used to extract the essential oil from its rhizomes, and 0.23% oil yield was obtained. Using gas chromatography-mass spectrometry （GC- MS） analysis, 31 chemicals including aristolone, cuparene, β-gurjunene, δ-amorphene, α-muurolene, α-cadinol, camphor, γ-elemene, and τ-cadinol were identified. The essential oil exhibited antibacterial activity against Acetobacter calcoacetica, Bacillus subtillis, Clostridium sporogenes, Clostridium perfringens, Escherichia coli, Salmonella typhii, Staphylococcus aureus, and Yersinia enterocolitica. Its antifungal and antioxidant activities were also tested.

关键词： Iris bulleyana essential oil antibacterial antifungal antioxidant GC-MS chemical components

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Synthesis of Novel Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors-1-(3-Phthalimido-2-oxobutyl)-4-Substituted-phenylpiperazines

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Chinese Chemical Letters 2000年第7期11卷 571-572页

作者： Xin chen Lin WANG Zhi Zhong ZHAO Xing Quan ZHANG Xiang hong chen hong shan chen(Institute of Materia Medica, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing 100050 Institute of Medicinal Biotechnology, Chinese Academy of M Chinese Acad Med Sci Inst Mat Med Beijing 100050 Peoples R China Peking Union Med Coll Beijing 100050 Peoples R China Chinese Acad Med Sci Inst Med Biotechnol Beijing 100050 Peoples R China

We have designed and synthesized a series of new phthalimidopiperazines, biological activity test show that the target compounds(Ic, Ie, ii) can inhibit HIV-I RT with IC50 20.0, 43.8, and 63.7 mu M, respectively.

关键词： piperazine phthalimide HIV1-RT inhibitor

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Density Functional Theory Study on Organic Dye Sensitizers Containing Bis-dimethylfluorenyl Amino Benzofuran

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Chinese Journal of Chemical Physics 2009年第5期22卷 489-496,I0001页

作者： Cai-rong Zhang Zi-jiang Liu Yu-hong chen Jun Ma hong-shan chen Mei-ling Zhang State Key Laboratory of Gansu Advanced Non-ferrous Metal Materials Lanzhou University of Technology Lanzhou 730050 China Department of Applied Physics Lanzhou University of Technology Lanzhou 730050 China Institute of Applied Physics and Computational Mathematics Beefing 100088 China Institute of Electronic Information Science and Technology Lanzhou City Universiy Lanzhou 730070 China College of Physics and Electronic Engineering Northwest Normal University Lanzhou 730070 China

The geometries, electronic structures, polarizabilities and hyperpolarizabilities, as well as the UV-Vis spectra of the two organic dye sensitizers containing bis-dimethylfluorenyl amino benzofuran were studied via density functional theory （DFT） and time-dependent DFT. The features of electronic absorption spectra were assigned on account of the agreement between the experiment and the calculations. The absorption bands in visible region are related to photoinduced electron transfer processes, and the dimethylfluorenyl amino benzo[b]furan groups are major chromophore that contributed to the sensitization of photo-to-current conversion. The role of vinylene group in geometry, electronic structure and spectra property is analyzed according to the comparative study of the dyes.

关键词： Dye sensitizer Electronic structure Density functional theory Absorptionspectra

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Total Synthesis of (±)-Calanolide A and Its Anti-HIV Activity

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Chinese Chemical Letters 1998年第5期9卷 433-434页

作者： Chun Mei ZHOU Lin WANG Ming Long ZHANG Zhi Zhong ZHAO (Institute of Materia Medica, Peking Union Medical College &Chinese Academy of Medical Sciences, Beijing 100050)Xing Quan ZHANG Xiang hong chen hong shan chen (Institute of Medicinal Biotechno Institute of Materia Medica Peking Union Medical College Chinese Academy of Medical Sciences Beijing 100050 China Institute of Medicinal Biotechnology Peking Union Medical College Chinese Academy of Medical Sciences Beijing 100050 China

Anti-HIV agent (±)-calanolide A has been synthesized by a four-step approach startingfrom phloroglucinol, including the Pechmann reaction, Friedel-Crafts acylation, cyclization,chromenylation and Luche reduction.

关键词： total synthesis (±)-calanolide A anti-HIV activity

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Wave effect of gravitational waves intersected with a microlens field Ⅱ:An adaptive hierarchical tree algorithm and population study

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 241-254页

作者： Xikai shan Guoliang Li Xuechun chen Wen Zhao Bin Hu Shude Mao Department of Astronomy Tsinghua University Purple Mountain Observatory Chinese Academy of Sciences Institute for Frontier in Astronomy and Astrophysics Beijing Normal University School of Physics and Astronomy Beijing Normal University School of Astronomy and Space Science University of Science and Technology of China CAS Key Laboratory for Researches in Galaxies and Cosmology Department of Astronomy University of Science and Technology of ChinaChinese Academy of Sciences

The gravitational lensing wave effect generated by a microlensing field embedded in a lens galaxy is an inevitable phenomenon in strong lensed gravitational waves （SLGWs）.This effect presents both challenges and opportunities for the detection and application of ***,investigating this wave effect requires computing a complete diffraction integral over each microlens in the *** is extremely time-consuming due to the large number of microlenses （10～3-10～6）.Therefore,simply adding all the microlenses is ***,the complexity of the time delay surface makes the lens plane resolution a crucial factor in controlling numerical *** this paper,we propose a trapezoid approximation-based adaptive hierarchical tree algorithm to meet the challenges of calculation speed and *** find that this algorithm accelerates the calculation by four orders of magnitude compared to the simple adding method and is one order of magnitude faster than the fixed hierarchical tree algorithm proposed for electromagnetic *** importantly,our algorithm ensures controllable numerical errors,increasing confidence in the *** with our previous work （***.66,239511,2023）,this paper addresses all numerical issues,including integral convergence,precision,and computational time1).Finally,we conducted a population study on the microlensing wave effect of SLGWs using this algorithm and found that the microlensing wave effect cannot be ignored,especially for Type II SLGWs （from saddle position of the time delay surface） due to their intrinsic geometric structures and their typical intersection with a denser microlensing ***,more than 33%（11%） of SLGWs have a mismatch larger than 1%（3%） compared to the unlensed ***,we found that the mismatch between signal pairs in a doubly imaged GW is generally larger than 10-3,and 61%（25%） of signal pairs have a mismatch larger than 1%（3%）.Therefo

关键词： gravitational lensing diffractional integral algorithm gravitational wave

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Mutations outside the YMDD motif in the P protein can also cause DHBV resistant to Lamivudine

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World Journal of Gastroenterology 2005年第27期11卷 4261-4267页

作者： Jin-Yang He Yu-Tong Zhu Rui-Yi Yang Li-Ling Feng Xing-Bo Guo Feng-Xue Zhang hong-shan chen Tropical Medicine Institute of Guangzhou University of Traditional Chinese Medicine Guangzhou 510405 Guangdong Province China Institute of Medical Biotechnology of CAMS and PUMC Beijing 100050 China

AIM: To observe the Lamivudine resistance character of a DHBV strain in vitro and in vivo, and to analyze if the Lamivudine resistance character is caused by gene mutation or by abnormity of the Lamivudine ***: Congenitally DHBV-negative Guangdong brown ducks and duck embryo liver cells were respectively taken as animal and cell model. The Lamivudine-susceptive DHBV and Lamivudine-resistant DHBV (LRDHBV) were infected and Lamivudine was administrated according to the divided groups. The changes of DHBV quantity in the animal and cell model were tested. Three Lamivudineresistant and two Lamivudine-susceptive DHBV complete genomes were successfully amplified, sequenced and then submitted to GenBank. All the DHBV complete sequences in the GenBank at present were taken to align with the three LRDHBV to analyze the mutational points related to the Lamivudine-resistant ***: Both the animal and cell model showed that the large and the small dosage Lamivudine have no significant inhibitory effect on the LRDHBV. Five sequences of DHBV complete genomes were successfully cloned. The GenBank accession numbers of the three sequences of LRDHBV are AY521226, AY521227, and AY433937. The two strains of Lamivudine-susceptive DHBV are AY392760and AY536371. The correlated mutational points are KorR86Q and AorE591T in the P ***: The Lamivudine resistance character of this DHBV strain is caused by genome mutation; the related mutational points are KorR86Q and AorE591T and have no relations with the YMDD motif mutation.

关键词： DHBV Lamivudine resistance Mutational points

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刑法中的归谬推理

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求是学刊 2017年第2期44卷 82-90页

作者：孙洪山陈文昊中国政法大学刑事司法学院北京100088 北京大学法学院北京100871

归谬法在法律论证,尤其是对命题进行证伪的过程中,起到了至关重要的作用。在结论的检验中,可以通过设置参考系进行对比证明结论的不合理:如果结论违反了罪刑均衡原则,前提就可以被证伪;如果客观行为完全相同,只是由于主观上或行为人以... 详细信息

归谬法在法律论证,尤其是对命题进行证伪的过程中,起到了至关重要的作用。在结论的检验中,可以通过设置参考系进行对比证明结论的不合理:如果结论违反了罪刑均衡原则,前提就可以被证伪;如果客观行为完全相同,只是由于主观上或行为人以外的客观因素不同,在处理结论上也可能存在差异。同时,也可以根据结论违反公众法感情而否定前提的成立,例如利用正当防卫制度、错误理论、共犯制度进行归谬。最后,也可以通过单纯的形式逻辑进行归谬。

关键词：归谬罪刑均衡公众法感情形式逻辑

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Graphene Aerogel Composites with Self‑Organized Nanowires‑Packed Honeycomb Structure for Highly Efficient Electromagnetic Wave Absorption

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Nano-Micro Letters 2025年第2期17卷 533-547页

作者： Xiao You Huiying Ouyang Ruixiang Deng Qiuqi Zhang Zhenzhong Xing Xiaowu chen Qingliang shan Jinshan Yang Shaoming Dong State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of SciencesShanghai 200050People’s Republic of China Key Laboratory of Inorganic Coating Materials CAS Shanghai Institute of CeramicsChinese Academy of SciencesShanghai 200050People’s Republic of China Structural Ceramics and Composites Engineering Research Center Shanghai Institute of CeramicsChinese Academy of SciencesShanghai 200050People’s Republic of China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049People’s Republic of China School of Physical Science and Technology ShanghaiTech UniversityShanghai 201210People’s Republic of China School of Materials Science and Engineering Zhejiang Sci-Tech UniversityHangzhou 310018People’s Republic of China University of Chinese Academy of Sciences Beijing 100039People’s Republic of China

With vigorous developments in nanotechnology,the elaborate regulation of microstructure shows attractive potential in the design of electromagnetic wave ***,a hierarchical porous structure and composite heterogeneous interface are constructed successfully to optimize the electromagnetic loss *** macro–micro-synergistic graphene aerogel formed by the ice template‑assisted 3D printing strategy is cut by silicon carbide nanowires(SiC_(nws))grown in situ,while boron nitride(BN)interfacial structure is introduced on graphene *** unique composite structure forces multiple scattering of incident EMWs,ensuring the combined effects of interfacial polarization,conduction networks,and magnetic-dielectric ***,the as-prepared composites present a minimum reflection loss value of−37.8 dB and a wide effective absorption bandwidth(EAB)of 9.2 GHz(from 8.8 to 18.0 GHz)at 2.5 ***,relying on the intrinsic high-temperature resistance of SiC_(nws) and BN,the EAB also remains above 5.0 GHz after annealing in air environment at 600℃ for 10 h.

关键词： Hierarchical porous structure Interface High-temperature resistance Graphene aerogel composites Electromagnetic wave absorption

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Inhibitory effects of idoxifene on hepatic fibrosis in rats

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Acta Pharmacologica Sinica 2005年第5期26卷 581-586页

作者： Ya-jun ZHOU~2,Dong-mei YIN,hong-shan chen,Jian-hua SHI,Bao-xi SHA,Xing WANGDepartment of Biochemistry & Molecular Biology Medical College,Nan Tong University,Nantong 226001,China DepartmentofBiochemistry&MolecularBiology MedicalCollegeNanTongUniversityNantong226001China

Aim:To investigate the effects of a tissue-specific selective estrogen receptormodulator,idoxifene,on hepatic fibrosis in ***:Hepatic fibrosis wasinduced by dimethylnitrosamine(DMN)in male *** DMN model of hepaticfibrosis and the hepatocytes undergoing oxidative stress were treated withidoxifene *** effect of idoxifene on hepatic fibrosis in the DMNmodel was examined by *** of idoxifene on antioxi-dant enzyme levels of copper,zinc-dependent superoxide dismutase(CuZn-SOD),and cellular glutathione peroxidase(GSHPx)were measured by *** ofidoxifene on activation,proliferation,and apoptosis of culture-activated hepaticstellate cells(HSC)were analysed by immunohistochemistry,bromodeoxyuridine(BrdU)uptake,and flow cytometry, respectively. Results:Idoxifene could mark-edly suppress DMN-induced hepatic fibrosis in male rats.A treatment of 0.4mg·kg-1·d-1of idoxifene reduced the protein levels of collagen in the DMN modelby 41.19%(P<0.05).Protein level of CuZn-SOD and activitiy of GSHPx in livertreated with DMN plus 0.4 ***-1·d-1of idoxifene were 2.65 times(P<0.05)and2.08 times greater(P<<0.05)than that of liver treated with DMN alone *** protein level of CuZn-SOD and activity of GSHPx in cultured rat hepatocytestreated with ferric nitrilotriacetate(FeNTA)plus 1×10-7mol/L of idoxifene were3.43 times(P<0.05)and 2.52 times(P<0.05)greater than that treated with *** could inhibit HSC *** with the control,theuptake of BrdU in HSC cultured with 1×10-7mol/L of idoxifene was reduced by51.87%(P<0.05),and the number of apoptotic HSCs cultured with 1×10-7mol/L ofidoxifene increased by 94.52%(P<0.05).Conclusion:Idoxifene showed inhibi-tory action on hepatic fibrosis in male rats.

关键词： fibrosis idoxifene oxidative stress hepatic stellate cell liver

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