Development of an improved liquid phase, microextraction technique and its application in the analysis of flumetsulam and its two analogous herbicides in soil
作者：
Xu, Hui
* ;Pan, Wenhui;Song, Dandan;Yang, Guangfu
（ 期刊：
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY ,2007年55(23):9351-9356 ISSN：0021-8561
通讯作者：
Xu, Hui
作者机构：
[Yang, Guangfu; Song, Dandan; Xu, Hui; Pan, Wenhui] Cent China Normal Univ, Coll Chem, Ctr Anal & Testing, Minist Educ,Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构：
[Xu, Hui] C;Cent China Normal Univ, Coll Chem, Ctr Anal & Testing, Minist Educ,Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
关键词：
liquid phase microextraction;high-performance liquid chromatography;flumetsulam and its two analogues;soil analysis
摘要：
An improved liquid phase microextraction (LPME) technique has been developed. As part of this technique, analytes were extracted into an extractant microdrop which was laid on the cone-shaped bottom of a PCR tube (polychloroprene rubber tube) but not at the needle tip of a microsyringe, and the sample vial and PCR tube were horizontally placed so that the extractant was not affected by the force of vertical orientation (gravity and floating force). The stability of the extractant microdrop increased greatly, and the selection of extractant was extended. In this work, flumetsulam and its two analogous herbicides were chosen as model analytes in investigating the feasibility of the new pretreatment method by coupling it to high-performance liquid chromatography (HPLC). Under the optimized experimental conditions, the linear range and the limits of detection (S/N= 3) were 0.01-5 μg/mL (r = 0.9997) and 0.8 ng/mL for flumetsulam, 0.002-5 μg/mL (r = 0.9994) and 0.5 ng/mL for analogue 1, and 0.002-1 μg/mL (r = 0.9993) and 0.5 ng/mL for analog 2, respectively. The inter-and intraday reproducibilities (RSD) were below 5.3 and 4.5%, respectively. Good recoveries that ranged from 79.4 to 115.0% were obtained in the analysis of real soil samples. The extraction efficiency of the improved method was 4-8 times higher than that of the conventional liquid phase microextraction method. The novel, simple, rapid, sensitive technique is very suitable for extraction of apolar and medium polar analyte in complex environmental samples. © 2007 American Chemical Society.
语种：
英文
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Synthesis and insecticidal activity of chromanone and chromone analogues of diacylhydrazines
作者：
Zhao, Pei-Liang;Li, Jing;Yang, Guang-Fu
（ 期刊：
Bioorganic & Medicinal Chemistry ,2007年15(5):1888-1895 ISSN：0968-0896
通讯作者：
Yang, GF
作者机构：
[Yang, Guang-Fu; Li, Jing; Zhao, Pei-Liang] Key Laboratory of Pesticide and Chemical Biology, Ministry of Education, College of Chemistry, Wuhan, 430079, China
通讯机构：
[Yang, GF ] ;Cent China Normal Univ, Key Lab Pesticide & Chem Biol, Minist Educ, Coll Chem, Wuhan 430079, Peoples R China.
关键词：
Chromanone;Chromone;Diacylhydrazines;Insecticidal activity
摘要：
Diacylhydrazine derivatives have been identified as one of the most important insect growth regulators. A variety of diacylhydrazine derivatives were designed and synthesized in recent years due to their unique action mechanism, simple structure, and environmental benign character. This paper describes the molecular design, synthesis, and insecticidal activities of a series of chromanone and chromone analogues of diacylhydrazine derivatives. The preliminary bioassay showed that some of the chromanone analogues exhibited good insecticidal activity against Mythima separata at the dosage of 500 mg L-1. The present work demonstrated that replacement of the chroman ring of ANS-118, a commercial insecticide, with chromanone moiety could result in new compounds with high potent insecticidal activity. © 2007 Elsevier Ltd. All rights reserved.
语种：
英文
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Synthesis of a library of imidazolin-4-ones using poly(ethylene glycol) as soluble support
作者：
Li, Hong-Xia;Xie, Chang;Ding, Ming-Wu
* ;Liu, Zu-Ming;Yang, Guang-Fu
（ 期刊：
SYNLETT ,2007年2007(14):2280-2282 ISSN：0936-5214
通讯作者：
Ding, Ming-Wu
作者机构：
[Yang, Guang-Fu; Liu, Zu-Ming; Ding, Ming-Wu; Xie, Chang; Li, Hong-Xia; Ding, MW] Cent China Normal Univ, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构：
[Ding, Ming-Wu] C;Cent China Normal Univ, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
关键词：
poly(ethylene glycol);polymer-supported;aza-Wittig reaction;imidazolin-4-one;ylides
摘要：
A library of imidazolin-4-ones has been synthesized using poly(ethylene glycol) (PEG) as soluble polymer support. The imidazolin-4-ones 6 or 7 were synthesized effectively by reaction of primary amine with PEG-supported carbodiimides 4, which were obtained from aza-Wittig reaction of PEG-supported iminophosphoranes 3 with isocyanates. © Georg Thieme Verlag Stuttgart.
语种：
英文
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Synthesis and fungicidal evaluation of novel chalcone-based strobilurin analogues
作者：
Zhao, Pei-Liang;Liu, Chang-Ling;Huang, Wei;Wang, Ya-Zhou;Yang, Guang-Fu
* （ 期刊：
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY ,2007年55(14):5697-5700 ISSN：0021-8561
通讯作者：
Yang, Guang-Fu
作者机构：
[Yang, Guang-Fu] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.;Shenyang Res Inst Chem Ind, Agrochem Discovery Dept, Shenyang 110021, Peoples R China.
通讯机构：
[Yang, Guang-Fu] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
关键词：
Chalcone;Fungicide;Strobilurins;Structure-activity relationships
摘要：
Strobilurin derivatives have become one of the most important classes of agricultural fungicide due to a novel action mode, wide fungicidal spectrum, lower toxicity toward mammalian cells, and environmentally benign characteristics. To discover new strobilurin analogues with high activity against resistant pathogens, a series of new chalcone-based strobilurin derivatives are designed and synthesized by integrating a chalcone scaffold with a strobilurin pharmacophore. The preliminary bioassay showed that some of the chalcone analogues exhibited good in vivo fungicidal activities against Pseudoperoniospora cubensis and Sphaerotheca fuliginea at the dosage of 200 μg mL-1. Two compounds, (E)-methyl 2-[2-({3-[(E)-3-(2-chlorophenyl)acryloyl]phenoxy}methyl)phenyl]-3-methoxyacrylate (1e) and (E)-methyl 2-[2-({3-[(E)-3-(3-bromophenyl)acryloyl]phenoxy}methyl)phenyl]-3-methoxyacrylate (1l), were found to display higher fungicidal activities against P. cubensis (EC90 = 118.52 μg mL-1 for 1e and EC90 = 113.64 μg mL-1 for 1l) than Kresoxim-methyl (EC90 = 154.92 μg mL-1) and were identified as the most promising candidates for further study. The present work demonstrated that strobilurin analogues containing chalcone as a side chain could be used as a lead structure for further developing novel fungicides. To our knowledge, this is the first report about the syntheses and fungicidal activities of chalcone-based strobilurin derivatives.
Keywords: Strobilurins; fungicide; chalcone; structure−activity relationships
语种：
英文
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Design, syntheses, and antitumor activity of novel chromone and aurone derivatives
作者：
Huang, Wei;Liu, Ming-Zhen;Li, Yan
* ;Tan, Ying;Yang, Guang-Fu
（ 期刊：
Bioorganic & Medicinal Chemistry ,2007年15(15):5191-5197 ISSN：0968-0896
通讯作者：
Li, Yan
作者机构：
[Li, Yan] Wuhan Univ, Ctr Canc, Wuhan 430072, Peoples R China.;Wuhan Univ, Zhongnam Hosp, Wuhan 430072, Peoples R China.;Cent China Normal Univ, Minist Educ, Coll Chem, Key Lab Pesticide & Chem Biol, Wuhan 430070, Peoples R China.
通讯机构：
[Li, Yan] W;Wuhan Univ, Ctr Canc, Wuhan 430072, Peoples R China.
关键词：
Antitumor activity;Aurone;Chromone;Flavonoids;Microwave irradiation
摘要：
A series of new chromone analogues bearing heterocyclic thioether moiety and aurone analogues bearing cyclic tertiary amine moiety were designed and synthesized under microwave irradiation. The synthetic protocol was found to present many advantages, such as higher yields, shorter reaction time (10-20 min), mild condition, and readily isolation of the products. The synthesized compounds were assayed for their antitumor activity against four kinds of human solid tumor cell lines including HCCLM-7, Hep-2, MDA-MB-435S, and SW-480. Two compounds, (Z)-2-((4-benzyl-piperazin-1-yl)methylene)benzofuran-3(2H)-one 5e and (Z)-2-((4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)methylene)benzofuran-3(2H)-one 5f, were identified as the most promising candidates with the IC50 values in the range of 4.1-13.1 μM. Further cell cycle studies revealed that compounds 5e and 5f arrest the cell cycle in G0/G1 phase and displayed apoptosis-inducing effect on Hep-2 cells. © 2007 Elsevier Ltd. All rights reserved.
语种：
英文
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High-throughput screening: Establishing mathematical and physical models for bio-target immobilization
作者：
Songjun Li;Wuke Li;Xiao Hao;Pingchu Chen;Guangfu Yang
（ 期刊：
Journal of Mathematical Chemistry ,2007年41(3):271-282 ISSN：0259-9791
通讯作者：
Li, Songjun
作者机构：
[Guangfu Yang; Songjun Li; Pingchu Chen; Li, Songjun; Xiao Hao; Wuke Li] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构：
[Li, Songjun] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
关键词：
high-throughput screening;target immobilization;theory;mathematical physical models
摘要：
In high-throughput screening, the immobilization of bio-target shows a significant effect on the target performance, especially the conformation. This, ultimately, has an influence on the screening quality. In present article, a series of mathematical and physical models for target immobilization were established. As shown, in the immobilization process, if the plot of C*/Q versus C* is a straight-line, the drugs obtained from in vitro screening are probably applicable to in vivo environment. Otherwise, when the linearity exists between ln Q or Q and ln C*, particularly between Q and ln C*, additional competition-experiments of known ligands are necessary. In addition, the immobilization in multilayer form, as well as its impact on screening quality, was also discussed in this article (C*, the equilibrium concentration of bio-target; Q, the adsorbance).
语种：
英文
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A time-dependent density functional theory investigation of the spectroscopic properties of the β-subunit in C-phycocyanin
作者：
Ren, Yanliang;Wan, Jian
* ;Xu, Xin;Zhang, Qingye;Yang, Guangfu
（ 期刊：
JOURNAL OF PHYSICAL CHEMISTRY B ,2006年110(37):18665-18669 ISSN：1520-6106
通讯作者：
Wan, Jian
作者机构：
[Wan, Jian] Cent China Normal Univ, Key Lab Pesticide & Chem Biol, CCNU, Minist Educ,Dept Chem, Wuhan 430079, Peoples R China.;Xiamen Univ, State Key Lab Phys Chem Solid Surfaces, Coll Chem & Chem Engn, Ctr Theoret Chem, Xiamen 361005, Peoples R China.;Cent China Normal Univ, Coll Chem, Wuhan 430079, Peoples R China.
通讯机构：
[Wan, Jian] C;Cent China Normal Univ, Key Lab Pesticide & Chem Biol, CCNU, Minist Educ,Dept Chem, Wuhan 430079, Peoples R China.
摘要：
By using time-dependent density functional theory combined with the polarizable continuum model, a satisfactory assignment of the absorption and circular dichroism spectra and energy transfer flow of the β-subunit in C-phycocyanin (C-PC) was achieved when the protonation of β-84 and β-155 phycocyanobilin (PCB) and their interaction with the protein moiety in C-PC have been taken into account. We attribute the main peak for both β-84 and β-155 as arising from the πelectron excitation of the pyrrole rings and the shoulder peak as arising from the charge transfer from the asparate residue to PCBH<sup>+</sup>. The satisfactory agreement between theory and experiment suggests that Fo¨rster resonance theory prevails such that energy transfer occurs from β<inf>s</inf> (β-155) to β<inf>f</inf> (β-84). ©2006 American Chemical Society.
语种：
英文
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微波辅助组合合成的研究进展
作者：
Zhou Zhong-Zheng
* ;He Yan-Zhen;Cao Min;Yang Guang-Fu
（ 期刊：
有机化学 ,2006年26(11):1500-1507 ISSN：0253-2786
通讯作者：
Zhou Zhong-Zheng
作者机构：
[Yang Guang-Fu; He Yan-Zhen; Cao Min; Zhou Zhong-Zheng; Zhou, ZZ] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构：
[Zhou Zhong-Zheng] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
关键词：
微波辅助有机合成;组合化学;微波辅助组合合成
摘要：
微波辅助组合合成技术是近年来发展起来的一种新的制备化合物库的组合化学技术,它不仅可以克服传统固相组合合成技术以及液相组合合成技术无法提高产物收率的不足,而且利用该技术所制得的化合物库中对应的是高纯度的单一化合物,采用高通量筛选技术可以快速直接地确定高活性结构,极大地提高了新药开发的效率.主要就近年来微波辅助组合合成技术的研究进展情况进行介绍,内容包括固相组合合成、基于聚合物支载的催化剂的组合合成、液相组合合成、氟相组合合成以及组合平行合成等.
语种：
中文
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Design and syntheses of novel phthalazin-1(2H)-one derivatives as acetohydroxyacid synthase inhibitors
作者：
Li, Yuan-Xiang;Luo, Yan-Ping;Xi, Zhen* ;Niu, Congwei;He, Yan-Zhen;...
期刊：
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY ,2006年54(24):9135-9139 ISSN：0021-8561
通讯作者：
Xi, Zhen
作者机构：
[Xi, Zhen] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Hubei, Peoples R China.;Nankai Univ, State Key Lab Elemento Organ Chem, Tianjin 300071, Peoples R China.
通讯机构：
[Xi, Zhen] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Hubei, Peoples R China.
关键词：
acetohydroxyacid synthase (AHAS);methylphthalazin-1-one;herbicide
摘要：
A series of 2-substituted-8-(4,6-dimethoxypyrimidin-2-yloxy)-4- methylphthalazin-1-one derivatives, 7a-7w, were designed via an ortho-substituent cyclization strategy to discover a new herbicidal lead structure. These compounds were synthesized by a seven-step route using 3-hydroxy-acetophenone as a starting material. Determination of the K i values against wild-type A. thaliana acetohydroxyacid synthase (AHAS) (EC 4.1.3.18) indicated that some of the compounds displayed good enzyme inhibition activity comparable to that of KIH-6127. The further preliminary bioassay data on weeds showed that the synthesized compounds exhibited typical injury symptoms of AHAS-inhibiting herbicides, and some of them showed broad-spectrum and high herbicidal activities in postemergence treatments against Echinochloa crusgalli, Digitaria sanguinalis, Setaria viridis, Brassica juncea, Amaranthus retroflexus, and Chenopodium album at an application rate of 150 g ai/ha. To our knowledge, this is the first report of methylphthalazin-1- one derivatives as AHAS inhibitors. © 2006 American Chemical Society.
语种：
英文
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Interactions of aryloxyphenoxypropionic acids with sensitive and resistant acetyl-coenzyme A carboxylase by homology modeling and molecular dynamic simulations
作者：
Zhu, Xiao-Lei;Zhang, Li;Chen, Qiong;Wan, Jian;Yang, Guang-Fu
* （ 期刊：
Journal of Chemical Information and Modeling ,2006年46(4):1819-1826 ISSN：1549-9596
通讯作者：
Yang, Guang-Fu
作者机构：
[Yang, Guang-Fu; Zhu, Xiao-Lei; Chen, Qiong; Zhang, Li; Wan, Jian; Yang, GF] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构：
[Yang, Guang-Fu] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
会议名称：
The 3rd International Conference of Molecular Simulations and Applied Informatics Technologies(第三届国际分子模拟与信息技术应用学术会议)
会议时间：
2007-04-01
会议地点：
杭州
会议论文集名称：
第三届国际分子模拟与信息技术应用学术会议
摘要：
Acetyl-coenzyme A carboxylase (ACCase) has been identified as one of the most important targets of herbicides. In the present study, we constructed homology models of the carboxyl-transferase (CT) domain of ACCase from sensitive and resistant foxtail and used these models as templates to study the molecular mechanism of herbicide resistance and stereochemistry-activity relationships of aryloxyphenoxypropionates (APPs). In the homology modeling structures, the dimer of the CT domain was formed by the side-to-side arrangement of the two monomers, in such a way that the N domain of one molecule is placed next to the C domain of the other. The dimeric association of sensitive foxtail CT was found to differ from that of resistant foxtail CT, and the spatial orientation of two key residues, Leu-695 and Ile-695, in these dimers also differed. The mutation of Ile to Leu may perturb the conformation of the dimeric interface, which may account for the molecular mechanism of herbicide resistance. Further docking analysis indicated that the binding model of high-active compounds is similar to that in the crystal structure of the enzyme-ligand complex. The different spatial orientations of ester groups of the isomers of APPs may explain the stereochemistry-activity relationship. Ser-698 formed a H-bonding interaction with all of the docked ligands, while Tyr-728 formed a pi-pi stacking interaction with some of the APPs. These findings may enhance our understanding of the molecular mechanism of herbicide resistance and stereochemistry-activity relationships, which may provide a new starting point for the identification of more potent inhibitors against both sensitive and resistant ACCase.
语种：
英文
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Microwave-assisted, one-pot syntheses and fungicidal activity of polyfluorinated 2-benzylthiobenzothiazoles
作者：
Huang, Wei;Yang, Guang-Fu
* （ 期刊：
Bioorganic & Medicinal Chemistry ,2006年14(24):8280-8285 ISSN：0968-0896
通讯作者：
Yang, Guang-Fu
（ 作者机构：
[Yang, Guang-Fu; Huang, Wei; Yang, GF] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构：
[Yang, Guang-Fu] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
关键词：
Benzothiazole;Fungicidal activity;Microwave irradiation;One-pot synthesis
摘要：
Polyfluorinated 2-benzylthiobenzothiazoles 3a-l are prepared via a microwave-assisted, one-pot procedure. The advantages, such as good to excellent yields, shorter reaction time (14-21 min), readily available starting material, and simple purification procedure, distinguish the present protocol from other existing methods used for the synthesis of 2-benzylthiobenzothiazoles. Bioassay indicated that most of the compounds showed significant fungicidal activity against Rhizoctonia solani, Botrytis cinereapers, and Dothiorella gregaria at a dosage of 50 μg/mL. Interestingly, compared to the control of commercial fungicide, triadimefon, compound 3c exhibited much higher activities against R. solani, B. cinereapers, and D. gregaria, which showed that the polyfluorinated 2-benzylthiobenzothiazoles can be used as lead compound for developing novel fungicides. © 2006 Elsevier Ltd. All rights reserved.
语种：
英文
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Bioactive permethrin/beta-cyclodextrin inclusion complex
作者：
Yang, GF
* （ ;Wang, HB;Yangt, WC;Gao, DQ;Zhan, CG
期刊：
JOURNAL OF PHYSICAL CHEMISTRY B ,2006年110(13):7044-7048 ISSN：1520-6106
通讯作者：
Yang, GF
作者机构：
[Yang, GF] Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.;Univ Kentucky, Coll Pharm, Dept Pharmaceut Sci, Lexington, KY 40536 USA.
通讯机构：
[Yang, GF] C;Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.
摘要：
Permethrin is popularly used in a variety of therapeutic areas. However, the poor water solubility of permethrin seriously limits its wider clinical applications. The present study demonstrates that solubility of permethrin in aqueous solution can considerably increase in the presence of β-cyclodextrin (β-CD). Extensive experimental data along with computational modeling reveal the formation of stable permethrin/β-CD inclusion complexes, including permethrin(β-CD) and permethrin(β-CD) <inf>2</inf>, through hydrophobic binding. Both permethrin(β-CD) and permethrin(β-CD)<inf>2</inf> complexes coexisted in aqueous solution, and the ratio of the concentration of permethrin(β-CD) complex to that of permethrin(β-CD)<inf>2</inf> complex was dependent on the concentration of β-CD. The complexation of permethrin with β-CD significantly improved the bioavailability of permethrin and, therefore, increased the bioactivity. The significant increase of the bioactivity of permethrin in the presence of β-CD provides an effective approach to improve the practical use of permethrin in public health and agriculture. ©2006 American Chemical Society.
语种：
英文
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Formation of supramolecular permethrin/β-cyclodextrin nanorods
作者：
Yang, Guang-Fu
（ ;Wang, Hong-Bo;Yang, Wen-Chao;Gao, Daquan;Zhan, Chang-Guo
* 期刊：
JOURNAL OF CHEMICAL PHYSICS ,2006年125(11):111104 ISSN：0021-9606
通讯作者：
Zhan, Chang-Guo
作者机构：
Univ Kentucky, Coll Pharm, Dept Pharmaceut Sci, Lexington, KY 40536 USA.;Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430070, Peoples R China.;[Zhan, Chang-Guo] Univ Kentucky, Coll Pharm, Dept Pharmaceut Sci, 725 Rose St, Lexington, KY 40536 USA.
通讯机构：
[Zhan, Chang-Guo] U;Univ Kentucky, Coll Pharm, Dept Pharmaceut Sci, 725 Rose St, Lexington, KY 40536 USA.
关键词：
nanostructured materials, organic compounds, self-assembly, scanning tunnelling microscopy
摘要：
Molecular dynamics simulations along with scanning tunneling microscopy (STM) imaging demonstrate the formation of a novel type of nanorods, with a stable [permethrin(β-CD)<inf>2</inf>]<inf>n</inf> structure in which the host:guest ratio is 2:1 and n=21-27 giving a length of ∼30.0-38.5 nm and an average diameter of ∼1.5 nm, self-assembled from an inclusion complex composed of permethrin and biocompatible β-cyclodextrin. ©2006 American Institute of Physics.
语种：
英文
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Stetter反应的研究进展
作者：
Zhou Zhong-Zheng
* ;Ji Feng-Qin;Yang Guang-Fu
（ 期刊：
有机化学 ,2006年26(7):906-911 ISSN：0253-2786
通讯作者：
Zhou Zhong-Zheng
作者机构：
[Yang Guang-Fu; Zhou Zhong-Zheng; Zhou, ZZ; Ji Feng-Qin] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构：
[Zhou Zhong-Zheng] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
关键词：
Stetter反应;1,4-二羰基化合物;氮杂环卡宾;不对称催化
摘要：
综述了Stetter反应的研究进展，包括分子间、分子内的Michael—Stetter反应、不对称Stetter反应及其在天然产物合成中的应用．
语种：
中文
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A selective transformation of flavanones to 3-bromoflavones and flavones under microwave irradiation
作者：
Zhou, ZZ;Zhao, PL;Huang, W;Yang, GF
* （ 期刊：
ADVANCED SYNTHESIS & CATALYSIS ,2006年348(1-2):63-67 ISSN：1615-4150
作者机构：
[Yang, GF; Zhao, PL; Huang, W; Zhou, ZZ] Cent China Normal Univ, Key Lab Pesticide & Chem Biol, Minist Educ, Coll Chem, Wuhan 430079, Peoples R China.
通讯机构：
[Yang, GF] C;Cent China Normal Univ, Key Lab Pesticide & Chem Biol, Minist Educ, Coll Chem, Wuhan 430079, Peoples R China.
关键词：
3-bromoflavones;N-bromosuccinimide;flavanones;flavones;microwave irradiation
摘要：
This paper presents the first report of a highly selective transformation of flavanones to 3-bromoflavones or flavones by microwave irradiation of the corresponding flavanone reactants and N-bromosuccinimide (NBS) in the presence of a catalytic amount of 2,2′-azobis(isobutyronitrile) (AIBN). The combination of good to excellent yields, shorter reaction time (10 min), and high levels of functional group compatibility make this an attractive synthetic approach to 3-bromoflavones and flavones. © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.
语种：
英文
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Understanding the structure–activity and structure–selectivity correlation of cyclic guanine derivatives as phosphodiesterase-5 inhibitors by molecular docking, CoMFA and CoMSIA analyses
作者：
Yang, GF
* （ ;Lu, HT;Xiong, Y;Zhan, CG
期刊：
Bioorganic & Medicinal Chemistry ,2006年14(5):1462-1473 ISSN：0968-0896
作者机构：
[Yang, GF] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.;Univ Kentucky, Coll Pharm, Dept Pharmaceut Sci, Lexington, KY 40536 USA.
通讯机构：
[Yang, GF] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
关键词：
Binding mode;Enzyme;Inhibitor;Phosphodiesterase;Selective inhibition;Structure-activity correlation
摘要：
Molecular docking and 3D-QSAR analyses were performed to understand how PDE5 and PDE6 interact with a series of (49) cyclic guanine derivatives. Using the conformations of the compounds revealed by molecular docking, CoMFA and CoMSIA analyses resulted in the first quantitative structure-activity relationship (QSAR) and first quantitative structure-selectivity relationship (QSSR) models (with high cross-validated correlation coefficient q(2) and conventional correlation coefficient r(2) values) for predicting the inhibitory activity against PDE5 and the selectivity against PDE6. The high q(2) and r(2) values, along with further testing, indicate that the obtained 3D-QSAR and 3D-QSSR models will be valuable in predicting both the inhibitory activity and selectivity of cyclic guanine derivatives for these protein targets. A set of 3D contour plots drawn based on the 3D-QSAR and 3D-QSSR models reveal some useful clues to improve both the activity and selectivity by modifying structures of the compounds. It has been demonstrated that both the steric and electrostatic factors should appropriately be taken into account in future rational design and development of more active and more selective PDE5 inhibitors for the therapeutic treatment of erectile dysfunction (ED). (c) 2005 Elsevier Ltd. All rights reserved.
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英文
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Development of a general quantum-chemical descriptor for steric effects: Density functional theory based QSAR study of herbicidal sulfonylurea analogues
作者：
Xi, Zhen
* ;Yu, Zhihong;Niu, Zongwei;Ban, Shurong;Yang, Guangfu
（ 期刊：
Journal of Computational Chemistry ,2006年27(13):1571-1576 ISSN：0192-8651
通讯作者：
Xi, Zhen
作者机构：
[Xi, Zhen] Nankai Univ, State Key Lab Elementoorgan Chem, Tianjin 300071, Peoples R China.;Nankai Univ, Dept Biol Chem, Tianjin 300071, Peoples R China.;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构：
[Xi, Zhen] N;Nankai Univ, State Key Lab Elementoorgan Chem, Tianjin 300071, Peoples R China.
关键词：
quantum-chemical descriptor;density functional theory;QSAR;sulfonylurea herbicide;acetohydroxyacid synthase
摘要：
Quantitative structure‐activity relationship (QSAR) analysis has become one of the most effective approaches for optimizing lead compounds and designing new drugs. Although large number of quantum‐chemical descriptors were defined and applied successfully, it is still a big challenge to develop a general quantum‐chemical descriptor describing the bulk effects more directly and effectively. In this article, we defined a general quantum‐chemical descriptor by characterizing the volume of electron cloud for specific substituent using the method of density functional theory. The application of our defined steric descriptors in the QSAR analysis of sulfonylurea analogues resulted in four QSAR models with high quality (the best model: q2 = 0.881, r2 = 0.901, n = 35, s = 0.401, F = 68.44), which indicated that this descriptor may provide an effective way for solving the problem how to directly describe steric effect in quantum chemistry‐based QSAR studies. © 2006 Wiley Periodicals, Inc. J Comput Chem 27: 1571–1576, 2006
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英文
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5，7-二甲基-1，2，4-***并[1，5-a]嘧啶-2-氧乙酰腙类衍生物的合成与生物活性
作者：
Chen, Q;Long, DQ;Cheng, J;Li, J;Liu, ZM;...
期刊：
高等学校化学学报 ,2006年27(3):454-459 ISSN：0251-0790
通讯作者：
Yang, GF
作者机构：
[Yang, GF] Cent China Normal Univ, Key Lab Pesticide & Chem Biol, Minist Educ, Coll Chem, Wuhan 430079, Peoples R China.;Yunyang Teachers Coll, Dept Chem, Danjiangkou 442700, Peoples R China.
通讯机构：
[Yang, GF] C;Cent China Normal Univ, Key Lab Pesticide & Chem Biol, Minist Educ, Coll Chem, Wuhan 430079, Peoples R China.
会议名称：
第六届全国新农药创制学术交流会
会议时间：
2005-05-01
会议地点：
天津
会议主办单位：
中国化工学会
会议论文集名称：
第六届全国新农药创制学术交流会论文集
关键词：
1,2,4-***并[1,5-a]嘧啶;酰腙;生物活性;手性中心
摘要：
以5，7-二甲基-1，2，4-***并[1，5-a]嘧啶-2-甲硫醚为起始原料，设计合成了15个新型的5，7-二甲基-1，2，4-***并[1，5-a]嘧啶-2-氧乙酰腙及10个（月）-5，7-二甲基-1，2，4-***并[1，5-a]嘧啶-2-氧（α-甲基）乙酰腙类化合物，通过元素分析、MS和^1H NMR对所合成的化合物进行了结构表征．初步生物活性测试结果表明，部分化合物表现出不同程度的除草及杀菌活性．目标化合物中引入手性中心有利于生物活性的提高．
语种：
中文
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含杂环硫醚色酮衍生物的设计、合成与生物活性研究
作者机构：
[杨光富; 黄伟; 周中振; 吴琼友] 华中师范大学化学学院农药与化学生物学教育部重点实验室
会议名称：
中国化学会第四届有机化学学术会议
会议时间：
2005-08
会议地点：
中国云南昆明
会议论文集名称：
中国化学会第四届有机化学学术会议论文集（上册）
摘要：
<正>苯并吡喃-4-酮母体环存在于众多的天然产物中,如:类黄酮类化合物等．它们具有广泛的生物活性,如抗菌、抗真菌、抗氧化、抗癌、抗溃疡、抗生素、抗干扰性等．对色酮环的不同位置进行修饰可得到药效不同的化合物． Robert和Stephen小组分别报道了含硫醚结构的色酮衍生物具有很好的抗肿瘤活性．我们的研究兴趣是在色酮环的2-位通过硫醚键引入含硫、氧和氮等杂原子的杂环单元,以期获得具有一定抗
语种：
中文
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1-(2-Methylpropyl)-1H-imidazo[4,5-c]-quinolin-4-amine
作者：
Cheng, J
* ;Liu, ZM;Yang, GF
（ 期刊：
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2005年61(8):o2638-o2639 ISSN：2053-2296
通讯作者：
Cheng, J
作者机构：
[Yang, GF; Cheng, J; Liu, ZM] Cent China Normal Univ, Minist Educ, Coll Chem, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构：
[Cheng, J] C;Cent China Normal Univ, Minist Educ, Coll Chem, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
摘要：
In the title compound, C 14 H 16 N 4 , the imidazole ring is coplanar with the quinoline system. In the solid state, the molecules are linked by N-H⋯N hydrogen bonds which propagate in a chain parallel to the a axis. © 2005 International Union of Crystallography Printed in Great Britain - all rights reserved.
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英文
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