The title compound,（Z）-methyl-3-methoxy-2-{2-[（4-（E-3-p-tolylacryloyl）phenoxy）-methyl]phenyl}acrylate,was synthesized and determined by X-ray single-crystal diffraction. The crystal belongs to the triclinic syst...The title compound,（Z）-methyl-3-methoxy-2-{2-[（4-（E-3-p-tolylacryloyl）phenoxy）-methyl]phenyl}acrylate,was synthesized and determined by X-ray single-crystal diffraction. The crystal belongs to the triclinic system,space group P1 with a = 8.0157（8）,b = 12.5748（13）,c = 13.3768（14） ,α = 64.770（2）,β = 75.720 （2）,γ = 89.784（2）°,μ = 0.085 mm-1,Mr = 442.49,V = 1174.1（2） 3,Z = 2,Dc = 1.252 g/cm3,F（000） = 468,T = 294（2） K,R = 0.0603 and wR = 0.1498 for 2644 observed reflections with I 〉 2σ（I）. X-ray diffraction analysis reveals that the single crystal contains strong non-classical hydrogen bonds. The preliminary bioassay showed that the title compound exhibits inhibitory activity against the Pseudoperoniospora cubensis and Rhizoctonia solani at the test concentration of 200 mg/L.展开更多
The crystal structure of the title compound（E）-ethyl 2-（4-（2,4-dimethoxy benzylide-neamino）-5-（3,4,5-trimethoxyphenyl）-4H-1,2,4-triazol-3-ylthio）acetate（4,C24H28N4O7S,Mr = 516.17） was synthesized and determi...The crystal structure of the title compound（E）-ethyl 2-（4-（2,4-dimethoxy benzylide-neamino）-5-（3,4,5-trimethoxyphenyl）-4H-1,2,4-triazol-3-ylthio）acetate（4,C24H28N4O7S,Mr = 516.17） was synthesized and determined by X-ray single-crystal diffraction.The crystal belongs to the monoclinic system,space group P21/n with a = 13.162（2）,b = 8.4506（13）,c = 22.602（4） ,β = 99.888（3）°,μ = 0.183 mm-1,V = 2476.5（7）3,Z = 4,Dc = 1.385 g/cm3,F（000） =1088,T = 110（2） K,R = 0.0426 and wR = 0.1216 for 3859 observed reflections with I 2σ（Ⅰ）.展开更多
The concept of the splitting ring of the polynomial over ring Z(pe) is introduced and the factomation of polynomials and the properties df polynomial roots are discussed. By using these results and the structure of se...The concept of the splitting ring of the polynomial over ring Z(pe) is introduced and the factomation of polynomials and the properties df polynomial roots are discussed. By using these results and the structure of sequence families, it is shown that the terms of a linear recurring sequence over Z/(pe) may be represented by the roots of its characteristic polynomial and the representation is uniquely determined by the sequence.展开更多
目的:基于指纹图谱和网络药理学方法,分析预测白花蛇舌草[Oldenlandia diffusa(Willd.)Roxb,ODWR]的质量标志物(quality markers,Q-Marker)。方法:利用HPLC建立ODWR指纹图谱,确认共有峰;通过对照品比对和HPLC-ESI-Q-TOF-MS对共有峰进行...目的:基于指纹图谱和网络药理学方法,分析预测白花蛇舌草[Oldenlandia diffusa(Willd.)Roxb,ODWR]的质量标志物(quality markers,Q-Marker)。方法:利用HPLC建立ODWR指纹图谱,确认共有峰;通过对照品比对和HPLC-ESI-Q-TOF-MS对共有峰进行鉴定;运用网络药理学筛选和分析ODWR共有成分及炎症、肿瘤作用靶点和通路,构建“药物-成分-靶点-通路”网络,预测ODWR潜在Q-Marker;使用Auto Dock Vina软件对ODWR潜在的Q-Marker与关键靶点进行分子对接验证。结果:槲皮素-3-O-[2-O-(6-O-E-阿魏酰基)-β-D-吡喃葡糖苷]-β-D-吡喃半乳糖苷、(E/Z)-6-O-香豆酰鸡屎藤次苷甲酯、(E/Z)-6-O-阿魏酰鸡屎藤次苷甲酯成分为ODWR潜在的Q-Marker,主要通过作用于PIK3R1、NFKB1、HRAS等靶点,调控Pathways in cancer、Proteoglycans in cancer、Focal adhesion等信号通路,发挥抗炎、抗肿瘤等作用。结论:槲皮素-3-O-[2-O-(6-O-E-阿魏酰基)-β-D-吡喃葡糖苷]-β-D-吡喃半乳糖苷、(E/Z)-6-O-香豆酰鸡屎藤次苷甲酯、(E/Z)-6-O-阿魏酰鸡屎藤次苷甲酯成分可作为ODWR潜在Q-Marker。本研究为ODWR质量控制和评价提供参考,同时也为其抗炎、抗肿瘤活性成分及作用机制研究奠定基础。展开更多
基金supported by the Science Foundation of the Southern Medical University for New Excellent Talents (No. B1000374)
文摘The title compound,（Z）-methyl-3-methoxy-2-{2-[（4-（E-3-p-tolylacryloyl）phenoxy）-methyl]phenyl}acrylate,was synthesized and determined by X-ray single-crystal diffraction. The crystal belongs to the triclinic system,space group P1 with a = 8.0157（8）,b = 12.5748（13）,c = 13.3768（14） ,α = 64.770（2）,β = 75.720 （2）,γ = 89.784（2）°,μ = 0.085 mm-1,Mr = 442.49,V = 1174.1（2） 3,Z = 2,Dc = 1.252 g/cm3,F（000） = 468,T = 294（2） K,R = 0.0603 and wR = 0.1498 for 2644 observed reflections with I 〉 2σ（I）. X-ray diffraction analysis reveals that the single crystal contains strong non-classical hydrogen bonds. The preliminary bioassay showed that the title compound exhibits inhibitory activity against the Pseudoperoniospora cubensis and Rhizoctonia solani at the test concentration of 200 mg/L.
基金supported by the Science Foundation of the Southern Medical University for New Excellent Talents (No. B1000374)the Natural Science Foundation of Guangdong Province(No.10451051501004725)
文摘The crystal structure of the title compound（E）-ethyl 2-（4-（2,4-dimethoxy benzylide-neamino）-5-（3,4,5-trimethoxyphenyl）-4H-1,2,4-triazol-3-ylthio）acetate（4,C24H28N4O7S,Mr = 516.17） was synthesized and determined by X-ray single-crystal diffraction.The crystal belongs to the monoclinic system,space group P21/n with a = 13.162（2）,b = 8.4506（13）,c = 22.602（4） ,β = 99.888（3）°,μ = 0.183 mm-1,V = 2476.5（7）3,Z = 4,Dc = 1.385 g/cm3,F（000） =1088,T = 110（2） K,R = 0.0426 and wR = 0.1216 for 3859 observed reflections with I 2σ（Ⅰ）.
基金Project supported by the State Key Laboratory of Information Security,Graduate School of Academia Sinica.
文摘The concept of the splitting ring of the polynomial over ring Z(pe) is introduced and the factomation of polynomials and the properties df polynomial roots are discussed. By using these results and the structure of sequence families, it is shown that the terms of a linear recurring sequence over Z/(pe) may be represented by the roots of its characteristic polynomial and the representation is uniquely determined by the sequence.
文摘目的:基于指纹图谱和网络药理学方法,分析预测白花蛇舌草[Oldenlandia diffusa(Willd.)Roxb,ODWR]的质量标志物(quality markers,Q-Marker)。方法:利用HPLC建立ODWR指纹图谱,确认共有峰;通过对照品比对和HPLC-ESI-Q-TOF-MS对共有峰进行鉴定;运用网络药理学筛选和分析ODWR共有成分及炎症、肿瘤作用靶点和通路,构建“药物-成分-靶点-通路”网络,预测ODWR潜在Q-Marker;使用Auto Dock Vina软件对ODWR潜在的Q-Marker与关键靶点进行分子对接验证。结果:槲皮素-3-O-[2-O-(6-O-E-阿魏酰基)-β-D-吡喃葡糖苷]-β-D-吡喃半乳糖苷、(E/Z)-6-O-香豆酰鸡屎藤次苷甲酯、(E/Z)-6-O-阿魏酰鸡屎藤次苷甲酯成分为ODWR潜在的Q-Marker,主要通过作用于PIK3R1、NFKB1、HRAS等靶点,调控Pathways in cancer、Proteoglycans in cancer、Focal adhesion等信号通路,发挥抗炎、抗肿瘤等作用。结论:槲皮素-3-O-[2-O-(6-O-E-阿魏酰基)-β-D-吡喃葡糖苷]-β-D-吡喃半乳糖苷、(E/Z)-6-O-香豆酰鸡屎藤次苷甲酯、(E/Z)-6-O-阿魏酰鸡屎藤次苷甲酯成分可作为ODWR潜在Q-Marker。本研究为ODWR质量控制和评价提供参考,同时也为其抗炎、抗肿瘤活性成分及作用机制研究奠定基础。
