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Design and synthesis of chitin synthase inhibitors as potent fungicides

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Chinese Chemical Letters 2017年第6期28卷 1232-1237页

作者： Qi Chen Ji-Wei Zhang Lu-Lu Chen Jun yang xin-ling yang Yun ling Qing yang State Key Laboratory of Fine Chemical Engineering and School of Life Science and Biotechnology Dalian University of Technology Dalian 116024 China Key Laboratory of Pesticide Chemistry and Application Ministry of Agriculture Department of Applied Chemistry College of Science China Agricultural University Beijing 100193 China Central Research Institute of China Chemical Science & Technology Beijing 100083 China

Chitin is a structural component of fungal cell walls but is absent in vertebrates,mammals,and *** synthase is thus an attractive molecular target for developing *** on the structure of its donor substrate,UDP-N-acetyl-glucosamine,as well as the modelled structure of the bacterial chitin synthase NodC,we designed a novel scaffold which was then further optimized into a series of chitin synthase *** most potent inhibitor,compound 13,exhibited high chitin synthase inhibitory activity with an IC（50） value of 64.5 μmol/L All of the inhibitors exhibited antifungal activities against the growth of agriculturally-destructive fungi,Fusarium graminearum,Botrytis *** Colletotrichum *** work presents a new scaffold which can be used for the development of novel fungicides.

关键词： Chitin synthase Inhibitor Fungicide UDP-N-acetyl-D-glucosamine

Mean Curvature Flow via Convex Functions on Grassmannian Manifolds

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Chinese Annals of Mathematics,Series B 2010年第3期31卷 315-328页

作者： Yuanlong xin ling yang Institute of Mathematics Fudan University Shanghai 200433 China. Max Planck Institute for the Mathematics in Sciences Inselstr. 22-24 Leibzig 04103 Germany.

Using the convex functions on Grassmannian manifolds, the authors obtain the interior estimates for the mean curvature flow of higher codimension. Confinable properties of Gauss images under the mean curvature flow have been obtained, which reveal that if the Gauss image of the initial submanifold is contained in a certain sublevel set of the v-function, then all the Gauss images of the submanifolds under the mean curvature flow are also contained in the same sublevel set of the v-function. Under such restrictions, curvature estimates in terms of v-function composed with the Gauss map can be carried out.

关键词： Mean curvature flow Convex function Gauss map

Synthesis and fungicidal activity study of novel daphneolone analogs with 2,6-dimethylmorpholine

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Chinese Chemical Letters 2016年第4期27卷 555-558页

作者： Gao-Fei Xu xin-ling yang Peng Lei Xi-li Liu Xue-Bo Zhang Yun ling Department of Applied Chemistry College of Science China Agricultural University Department of Plant Pathology College of Agronomy and Biotechnology China Agricultural University

A series of novel daphneolone analogs was designed and synthesized on the basis of natural product 1,5-diphenyl-2-penten-1-one（I） from Stellera chamaejasme L. as lead compound, whereby 2,6-dimethylmorpholine moiety was introduced to replace 1-phenyl group. Their structures were confirmed by IR,1H NMR, and HRMS（ESI） or elemental analysis,13 C NMR for some representative compounds. The two isomers of target compounds were separated and identified by NOESY technique and chemical *** of the synthesized compounds have been evaluated for anti-plant pathogenic fungi activities. The results showed that some compounds exhibited moderate to good antifungal activities against tested fungi at the concentration of 50 mg/L. Among them, compound 7d, with a 4-bromine-substituted phenyl group and cis-2,6-dimethylmorpholine moiety, displayed best activity with an EC50 of 23.87 mmol/L against Valsa mali, superior to lead compound I. In addition, preliminary structure–activity relationship analysis indicated that, between two isomers of target compounds, the antifungal activities of the isomer with cis-2,6-dimethylmorpholine were better than the trans-isomer.

关键词： Daphneolone analogs 2.6-Dimethylmorpholine Stellera chamaejasme L. Synthesis Fungicidal activity

Synthesis and biological evaluation of 4-methyl-1,2,3-thiadiazole-5-carboxaldehyde benzoyl hydrazone derivatives

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Chinese Chemical Letters 2017年第6期28卷 1238-1242页

作者： Jing-Peng Zhang Xiang-yang Li Ya-Wen Dong Yao-Guo Qin xin-Lu Li Bao-An Song xin-ling yang Department of Applied Chemistry College of ScienceChina Agricultural University Key Laboratory of Green Pesticide and Agricultural Bioengineering Ministry of EducationResearch and Development Center for Fine ChemicalsGuizhou University

To find new lead compounds with high biological activity,a series of novel 4-methyl-1,2,3-thiadiazole-5-carboxaldehyde benzoyl hydrazone derivatives were designed and *** structures were confirmed by -1H NMR,-（13）C NMR,IR spectrum and elemental *** bioassay indicated that the title compounds exhibited moderate to strong fungicidal activity against six fungi in vitro at50 μg/***,some of the title compounds exhibited good curative activity against TMV in vivo at500 μg/*** structure-activity relationship analysis of compounds against Valsa mali showed that compounds containing halogen at the para position on phenyl exhibited the best *** compound 8k showed broad spectrum fungicidal activities against Valsa mali,Botrytis cinerea,Pythium aphamdermatum,Rhizoctonia solani,Fusarium moniliforme and Altemaria solani with the EC（50） values of8.20,24.42,15.80,40.53,41.48,and 34.16 μg/mL,respectively.

关键词： 1 2 3-Thiadiazole Benzoyl hydrazone Synthesis Fungicidal activity Curative activity against TMV Structure-activity relationship

Target-based design, synthesis and biological activity of new pyrazole amide derivatives

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Chinese Chemical Letters 2016年第2期27卷 251-255页

作者： Xi-Le Deng Li Zhang Xue-Ping Hu Bin Yin Pei Liang xin-ling yang Department of Applied Chemistry College of Science China Agricultural University Department of Entomology College of Agriculture and Biotechnology China Agricultural University

Based on the similarities in the conformation of VS008（N-（4-methylphenyl）-3-（tert-butyl）-1-（phenylmethyl）-1H-pyrazole-5-carboxamide） and BYIO6830（N＇-（3,5-dimethylbenzoyl）-N＇-tert-butyl-5-methyl-2,3-dihydro-l,4-benzodioxine-6-carbohydrazide） bound to the active site of the EcR subunit of the ecdysone receptor（EcR）-ultraspiracle protein（USP） heterodimeric receptor,a series of new pyrazole amide derivatives were designed and *** structures were confirmed by IR,~1H NMR,^（13）C NMR and elemental *** from a preliminary bioassay revealed that two of the pyrazole derivatives exhibited promising insecticidal ***,compounds 6e and 6i exhibited good activity against Helicoverpa armigera（cotton bollworm） at low *** displayed by tebufenozide-treated *** were identical with those displayed by its treated counterpart.6i showed the same poisoning symptoms as those of *** addition,results from molecular docking result indicated that the binding modes of 6e and 6i at the active site of the EcR subunit of the heterodimeric receptor were similar to that of the bound tebufenozide.

关键词： Molting hormone Pyrazole amide Rational design Bioactivity Molecular docking

A new approach to the synthesis of α-chlorocycloalkanones

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Chinese Chemical Letters 2007年第12期18卷 1476-1478页

作者： xing Hai Li xin ling yang Xiao Mei Liang Zhen Peng Kai Yun ling Fu Heng Chen Dao Quan Wang Department of Applied Chemistry China Agricultural University Beijing 100094 China

α-Chlorocycloalkanones （IV） were synthesized from cycloalkanones via potassium ot-oxocycloalkylsulfonates （Ⅱ）. A two-step mechanism was proposed to explain the formation of IV from Ⅱ.

关键词： α-Chlorocycloalkanones Synthesis Potassium α-oxocycloalkylsulfonates

Synthesis and anti-TMV activity of novel N-(pyrimidin-5-yl)-N'-phenylureas

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Chinese Chemical Letters 2011年第1期22卷 18-20页

作者： De Kai Yuan Da Qiang Zhang Ru xing Li Dao Quan Wang xin ling yang Department of Applied Chemistry Science College China Agricultural University Beijing 100191 China Beijing Double-crane Pharmaceutical Co. Ltd. Beijing 100102 China

In order to find novel leading structures of pesticide, a series of N-（pyrimidin-5-yl）-N1-phenylureas （4a-4h） were designed and synthesized from 4-chloro-2-diethylamino-6-methyl-5-nitropyrimidine 1 via substitution, reduction and acylation procedures. Preliminary bioassay showed that all the target compounds processing good anti-TMV （tobacco mosaic virus） activity. Two compounds （4d and 4e） displayed higher activity superior to virazole at a concentration of 5.0 ×10^-4 g/mE.

关键词： N-(Pyrimidin-5-yl)-N1-phenylureas Synthesis Anti-TMV activity

Synthesis, bioactivity and functional evaluation of linker-modified allatostatin analogs as potential insect growth regulators

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Chinese Chemical Letters 2016年第4期27卷 559-562页

作者： Xiao-Qing Wu Juan Huang Mei-Zi Wang Zhe Zhang xin-Lu Li xin-ling yang Stephen S.Tobe Department of Applied Chemistry College of Science China Agricultural University Department of Cell and Systems Biology University of Toronto

Insect growth regulators play an important role in integrated pest management *** FGLa–allatostatins（ASTs）are a family of neuropeptides that can inhibit juvenile hormone（JH）biosynthesis by the corpora allata（CA）of Diploptera punctata in vitro,are regarded as insect growth regulator *** the search for new potential mimics and to explore the effect of linker length on inhibiting JH biosynthesis,a series of AST analogs were synthesized by modifying the linker of K24,which was found to have a significant effect on JH biosynthesis in vitro in our previous *** evaluation demonstrated that all the target compounds can activate the Dippu-Ast R,albeit with different *** L6 with the longest linker（n=5）,exhibited not only a promising effect on inhibition of JH biosynthesis both in vitro and in vivo,but also good activity in inhibiting basal oocyte ***–activity relationships（SAR）studies showed that longer linkers provided greater contribution to activity.

关键词： Allatostatin Insect growth regulators Juvenile hormone Analogs Dippu-Ast receptor

Reaction behavior of MgO refractory with high-Mn and high-Al steel

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Journal of Iron and Steel Research International 2024年第6期31卷 1389-1398页

作者： ling-zhong Kong Lin Zu Jie yang Xi-min Zang xin yang Ming Kang School of Materials and Metallurgy University of Science and Technology LiaoningAnshan 114051LiaoningChina

To understand the mechanism of the interfacial reaction between high-Mn and high-Al steel and MgO refractory,a series of laboratory experiments as well as thermodynamic calculations were *** effects of Mn and Al contents in the steel and the reaction time on the interfacial reaction were *** was observed that the erosion of the MgO refractory is caused by the reaction of Al and Mn in the steel with MgO in the refractory,which would lead to the formation of(Mn,Mg)O·Al_(2)O_(3) spinel and(Mn,Mg)O solid *** formation mechanism of the spinel and solid solution is as *** Al in the steel firstly reacts with MgO in the refractory to generate MgO·Al_(2)O_(3) spinel,and then,the spinel reacts with Mn in the steel to form(Mn,Mg)O·Al_(2)O_(3) ***,the MnO in the spinel reacts with the MgO in the inner refractory to form(Mn,Mg)O solid *** addition,only(Mn,Mg)O·Al_(2)O_(3) spinel is present in the interfacial reaction layer of the refractory when the Al content in the steel is sufficient.

关键词： High-Mn high-Al steel MgO refractory Reaction behavior Spinel