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Structure-based drug design of a novel family of chalcones as PPARα agonists:virtual screening,synthesis,and biological activities in vitro

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Acta Pharmacologica Sinica 2007年第12期28卷 2040-2052页

作者： Xiang-hua LI~(2,3),Han-jun ZOU~(2,3),An-hui WU~2,Yang-liang YE~2,Jian-hua SHEN~(2,4)~2 Drug Discovery and Design center,State Key laboratory of Drug Research,Shanghai Institute of Materia Medica,Chinese Academy ofSciences,Shanghai 201203,China Drug Discovery and Design center State Key Laboratory of Drug Research Shanghai Institute of Materia Medica Chinese Academy of Sciences Shanghai China

Aim:To design and synthesize a novel class of peroxisome proliferator-activatedreceptors (PPAR)α agonists,which is obtained by the combination of the classi-cal fibrate"head group",a linker with appropriate length and a ***:Thirty seven compounds were designed and identified employing the virtualscreening *** compounds were then selected for synthesis and bioas-say according to the virtual screening results,structural similarity,and ***:Six new compounds (4b and 4d-h) were synthesized *** were found to be potent PPARα agonists,compound 4 h being themost prominent with a 50% effective concentration value of 0.06 μmol/***:This study provides a promising novel family of chalcones with a potentialhypolipidemic effect.

关键词： peroxisome proliferator-activated receptors drug design virtual screening

Influence of magnetic current on the ground state entanglement in an isotropic transverse XY chain

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Progress in Natural Science:Materials International 2007年第10期17卷 1147-1151页

作者： Liu Dan1,2 , Zhang Yong3 and Long Guilu1,2(1. Key laboratory for Atomic and Molecular NanoSciences, and Department of Physics, Tsinghua University, Beijing 100084, China 2. center of Quantum Information Science and Technology, Tsinghua National laboratory for information Science and Technology, Beijing 100084, China 3. Institute of Physics, School of Sciences, Beijing University of Posts and Telecommunications, Beijing 100876, China) Key laboratory for Atomic and Molecular NanoSciences Department of Physics Tsinghua University Beijing 100084 China center of Quantum Information Science and Technology Tsinghua National Laboratory for Information Science and Technology Beijing 100084 China Institute of Physics School of Sciences Beijing University of Posts and Telecommunications Beijing 100876 China

We study the ground state entanglement in a three-qubit XY chain under the influence of a magnetization current. It is found that the ground state changes from a W state to a disentangled state as the magnetic field varies. When the Lagrange multiplier λ>3, namely under a strong magnetic current, the ground state holds onto a W state for a large range of the magnetic field strength. A phase transition to the magnetization-current phase occurs under a certain condition.

关键词： Heisenberg-XY chain magnetic-current phase transition.

Applications of functionalized ionic liquids

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Science China Chemistry 2006年第5期49卷 385-401页

作者： LI Xuehui1, ZHAO Dongbin2,3, FEI Zhaofu2 & WANG Lefu1 1. Department of Chemical Engineering, Guangdong Provincial laboratory of Green Chemical Technology, South China Uni-versity of Technology, Guangzhou 510641, China 2. Swiss Federal Institute of Technology, Lausanne, EPFL, CH-1015 Lausanne, Switzerland 3. PKU Green Chemistry center, Beijing National laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China Department of Chemical Engineering Guangdong Provincial Laboratory of Green Chemical Technology South China University of Technology Guangzhou China Lausanne EPFL Swiss Federal Institute of Technology Lausanne Switzerland PKU Green Chemistry center Beijing National Laboratory for Molecular Sciences College of Chemistry and Molecular Engineering Peking University Beijing China

Recent developments of the synthesis and applications of functionalized ionic liquids (including dual-functionalized ionic liquids) have been highlighted in this review. Ionic liquids are at-tracting attention as alternative solvents in green chemistry, but as more functionalized ILs are pre-pared, a greater number of applications in increasingly diverse fields are found.

关键词： ionic liquids functionalized ionic liquids dual-functionallzed ionicliquids reaction media asymmetric synthesis nano-materials porous materials lubricants flue-gas desulfurization oil desul-furization

Systematic study of survival probability of excited superheavy nuclei

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Science China(Physics,Mechanics & Astronomy) 2011年第S1期54卷 109-113页

作者： XIA ChengJun1, SUN BaoXi1, ZHAO EnGuang2,3 & ZHOU ShanGui2,3 1College of Applied Sciences, Beijing University of Technology, Beijing 100124, China 2Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing 100190, China 3center of Theoretical Nuclear Physics, National laboratory of Heavy Ion Accelerator, Lanzhou 730000, China College of Applied Sciences Beijing University of Technology Beijing China Institute of Theoretical Physics Chinese Academy of Sciences Beijing China center of Theoretical Nuclear Physics National Laboratory of Heavy Ion Accelerator Lanzhou China

The stability of excited superheavy nuclei (SHN) with 100 Z 134 against neutron emission and fission is investigated by using a statistical model. In particular, a systematic study of the survival probability against fission in the 1n-channel of these SHN is made. The present calculations consistently take the neutron separation energies and shell correction energies from the calculated results of the finite range droplet model which predicts an island of stability of SHN around Z = 115 and N = 179. It turns out that this island of stability persists for excited SHN in the sense that the calculated survival probabilities in the 1n-channel of excited SHN at the optimal excitation energy are maximized around Z = 115 and N = 179. This indicates that the survival probability in the 1n-channel is mainly determined by the nuclear shell effects.

关键词： survival probability superheavy elements island of stability neutron emission fission

Heterotrimeric G protein α subunit is involved in rice brassinosteroid response

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Cell Research 2006年第12期16卷 916-922页

作者： Lei Wang~(1,2) Yun-Yuan Xu~1 Qi-Bin Ma~(1,2) Dan Li~(1,2) Zhi-Hong Xu~(1,3) Kang Chong~(1,3) 1 Key laboratory of Photosynthesis and Environmental Molecular Physiology,Institute of Botany,Chinese Academy of Sciences,Nanxincun 20,Xiangshan,Beijing 100093,China,2 Graduate School of the Chinese Academv of Sciences,100046 Beijing,China 3 National Plant Gene Research center (Beijing),Beijing 100093,China Key laboratory of Photosynthesis and Environmental Molecular Physiology Institute of Botany Chinese Academy of Sciences Xiangshan China Graduate School of the Chinese Academy of Sciences Beijing China National Plant Gene Research center (Beijing) Beijing China

Heterotrimeric G proteins are known to function as messengers in numerous signal transduction *** nullmutation of RGA(rice heterotrimeric G protein α subunit),which encodes the α subunit of heterotrimeric G proteinin rice,causes severe dwarfism and reduced responsiveness to gibberellic acid in ***,less is known aboutheterotrimeric G protein in brassinosteroid(BR)signaling,one of the well-understood phytohormone *** thepresent study,we used root elongation inhibition assay,lamina inclination assay and coleoptile elongation analysis todemonstrated reduced sensitivity of dl mutant plants(caused by the null mutation of RGA)to 24-epibrassinolide(24-epiBL),which belongs to brassinosteroids and plays a wide variety of roles in plant growth and ***,RGA transcript level was decreased in 24-epiBL-treated seedlings in a dose-dependent *** results show thatRGA is involved in rice brassinosteroid response,which may be beneficial to elucidate the molecular mechanisms of Gprotein signaling and provide a novel perspective to understand BR signaling in higher plants.

关键词： heterotrimeric G protein α subunit dl mutant BR signaling rice

Association between VDR Apal Polymorphism and Hip Bone Mineral Density Can Be Modified by Body Mass Index:A Study on Postmenopausal Chinese Women

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Acta Biochimica et Biophysica Sinica 2005年第1期 61-67页

作者： Hong XUI~(1,2) Dong-Hai XIONG~3 Fu-Hua XU~3 Yuan-Yuan ZHANG~3 Shu-Feng LEI~1 Hong-Wen DENG~(1,3*) ~1laboratory of Molecular and Statistical Genetics,College of Life Sciences,Hunan Normal University.Changsha 410081,China ~2 Department of Physiology,Jiangxi Medical College,Nanchang 330006,China ~3 Osteoporosis Research center and Department of Biomedical Sciences,Creighton University Medical center,Omaha,NE 68131,USA

Osteoporosis is a major public health problem for old *** factors are considered tobe major contributors to the pathogenesis of postmenopausal *** vitamin D receptor(VDR)gene is a prominent candidate gene for the regulation of postmenopausal bone mass;however,despite exten-sive studies,controversy remains regarding its association with postmenopausal body mineral density(BMD)*** this study,a total of 260 healthy postmenopausal Chinese women were genotyped at the VDRApaI locus using polymerase chain reaction(PCR)-restriction fragment length polymorphism (RFLP).Rawhip BMD was significantly associated with VDR ApaI polymorphism with and without adjusting for age(P=0.015 and 0.040,respectively).This genetic effect can explain 3.32% of hip BMD ***,the significant association vanished after correcting for both age and body mass index(BMI)(P=0.169).Inaddition,we observed a significant association between VDR ApaI polymorphism with unadjusted BMI(P=0.042)or BMI adjusted for age(P=0.049).The raw hip BMD was also found to be significantly corre-lated with BMI(r=0.517,P=0.0001),with BMI explaining 26.35% of the variation of hip *** of thesefacts prompt us to conclude that the significant association between the VDR ApaI genotype and hip BMDmay be modified by BMI in postmenopausal Chinese *** findings may partially explain the earlierinconsistent association results concerning the VDR gene and BMD,and highlight the importance of incorpo-rating covariates such as BMI into osteoporosis association studies.

关键词： body mass index(BMI) bone mineral density(BMD) genetic association osteoporosis vitamin D receptor(VDR)gene

A heuristic path-estimating algorithm for large-scale real-time traffic information calculating

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Science China(Technological Sciences) 2008年第S1期51卷 165-174页

作者： L WeiFeng1,ZHU TongYu1,WU DongDong2,DAI Hong3 & HUANG Jian1 1 State Key laboratory for Software Development Environment,Beihang University,Beijing 100083,China 2 Beijing Transportation Information center,Beijing 100055,China 3 College of Arts & Science,Beijing Union University,Beijing 100083,China State Key laboratory for Software Development Environment Beihang University Beijing China Beijing Transportation Information center Beijing China College of Arts & Science Beijing Union University Beijing China

As the original Global Position System (GPS) data in Floating Car Data have the accuracy problem,this paper proposes a heuristic path-estimating algorithm for large-scale real-time traffic information calculating. It uses the heuristic search method,imports the restriction with geometric operation,and makes comparison between the vectors composed of the vehicular GPS points and the special road network model to search the set of vehicular traveling route candidates. Finally,it chooses the most optimal one according to weight. Experimental results indicate that the algorithm has considerable efficiency in accuracy (over 92.7%) and com-putational speed (max 8000 GPS records per second) when handling the GPS tracking data whose sampling rate is larger than 1 min even under complex road network conditions.

关键词： path-estimating floating car data (FCD) road network vector GPS

Multi-scale sparse feature point correspondence by graph cuts

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Science China(Information Sciences) 2010年第6期53卷 1224-1232页

作者： ZHANG Hong 1 , MU Ying 1 , YOU YuHu 2 & LI JunWei 3 1 Image Processing center, Beihang University, Beijing 100191, China 2 Beijing Research Institute of Special Electromechanical Technology, Beijing 100012, China 3 National Key laboratory on Optical Features of Environment and Target, Beijing 100854, China Image Processing center Beihang University Beijing China Beijing Research Institute of Special Electromechanical Technology Beijing China National Key laboratory on Optical Features of Environment and Target Beijing China

This paper presents a global stereo sparse matching technique based on graph cut theory to obtain accurate correspondence of stereo point pair in vision measurement ***, in order to obtain accurate location of feature points, a new multi-scale corner detection algorithm is proposed where wavelet coefficients are used to determine feature points by calculating an auto-correlation matrix.A sparse graph is constructed based on the feature points according to the graph cut ***, the feature point correspondence problem is transformed into a labeling problem in the sparse graph which can be solved by energy ***-scale analysis is utilized to improve the precision of matching *** was found that the use of sparse feature points in the construction of the graph can lead to both a simple graph structure and a reduced computational *** was also found that node labeling in the graph can be performed using fewer disparity values instead of all disparity *** experimental results show that the new global stereo sparse matching technique can obtain more accurate results than the existing techniques.

关键词： multi-scale feature point extraction graph cut theory stereo correspondence sparse point matching

Discovery of seep carbonate nodules as new evidence for gas venting on the northern continental slope of South China Sea

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Chinese Science Bulletin 2006年第10期51卷 1228-1237页

作者： CHEN Zhong1,2,3, YAN Wen1,2,3, CHEN Muhong1,3, WANG Shuhong1,2,3, LU Jun1,3, ZHANG Fan1,3, XIANG Rong1,3, XIAO Shangbin1,3, YAN Pin1,2,3 & GU Senchang1,2,3 1. South China Sea Institute of Oceanology, Chinese Academy of Sci-ences, Guangzhou 510301, China 2. Guangzhou center for Gas Hydrate Research, Chinese Academy of Sciences, Guangzhou 510301, China 3. Key laboratory of Marginal Sea Geology, South China Sea Institute of Oceanology and Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510301, China South China Sea Institute of Oceanology Chinese Academy of Sciences Guangzhou China Guangzhou center for Gas Hydrate Research Chinese Academy of Sciences Guangzhou China Key laboratory of Marginal Sea Geology South China Sea Institute of Oceanology and Guangzhou Institute of Geochemistry Chinese Academy of Sciences Guangzhou China

Seep carbonate nodules were firstlycollected from the southwestern Dongsha area onnorthern continental slope of South China Sea formineralogical and geochemical studies. The resultsof X-ray diffraction show that carbonate nodules arecomposed of Fe-rich domolite,siderite and a few cal-cite and aragonite, as well as a small quantity ofnon-carbonate minerals such as goethite, quartz andclay minerals. Fe-rich dolomite and siderite charac-terized by euhedral microcrystalline structure weredirectly precipitated at cold seeps. The δ 13C valuesfor Fe-rich dolomite and siderite in the bulk nodulesvary from ?18.24‰ to ?36.07‰, and the δ 18O valuesrange from 0.42 to 2.76‰. Their moderate depleted13C reflects that carbon origin is possibly thermoge- netic gas or mixed gas, which is evidence of gasventings in the seafloor. Moreover, massive wormtube fossils related to cold seeps were found on thesurfaces of carbonate nodules, and the conduitsand/or channels in semi-solidified nodules whichwere not filled by carbonate or sediment were alsoobserved. A preliminary conclusion is that activemicro gas venting with a conduit/channel diameterrange from 200 μm to 600 μm possibly exists inmodern seafloor of the carbonate nodule area.

关键词：渗出碳酸盐节碳氧同位素甲烷渗漏天然气水化物