After the geometry optimizations at the B3LYP/6-31＋G（d,p） level, the NMR calculations of a series of 9,10-dihydrophenanthrene analogues have been carried out by GIAO method at the HF/6-31＋G（d） level. The calcula...After the geometry optimizations at the B3LYP/6-31＋G（d,p） level, the NMR calculations of a series of 9,10-dihydrophenanthrene analogues have been carried out by GIAO method at the HF/6-31＋G（d） level. The calculated ^13C NMR chemical shifts are in agreement with the observed values. By a series of linear correlation equations （δpred = a ＋ bδcal.c） of the ^13C chemical shifts, accurate prediction of ^13C chemical shifts was achieved for the new 9,10- dihydrophenanthrene compound, for which the predicted ^13C NMR chemical shifts are in quite good agreement with the experimental values. The linear correlation between δpred and δexptl is excellent, and the square of correlation coefficient, r^2, is up to 0.9973. The maximum absolute difference between δpred and δexptl, △δ, is 4.5 ppm, and the rms error between δpred and δexpt is 2.55 ppm. In the meantime, according to the theoretical predicted result, we could confirm that the new 9,10-dihydrophenanthrene analogue is erianthridin （2,7-dihydroxy-3,4-dimethoxy-9,10-dihydro- phenanthrene）.展开更多
The present study was designed to identify bioactive compounds similar to those isolated from Dendrobium genus from its relative specie Eria bambusifolia. Compounds 1–10 were isolated and purified using silica gel, M...The present study was designed to identify bioactive compounds similar to those isolated from Dendrobium genus from its relative specie Eria bambusifolia. Compounds 1–10 were isolated and purified using silica gel, MCI CHP-20 gel, Sephadex LH-20, and Lichroprep RP-18 chromatography methods. Their structures were elucidated by means of extensive spectroscopic analyses. The cytotoxicity of these compounds against five human cancer cell lines was tested. Erathrins A and B(1 and 2) were new compounds, and compound 1 represented a novel carbon framework having a phenanthrene-phenylpropane unit with a dioxane moiety. Moreover, compound 1 showed selective cytotoxic activity against HL-60 cells(IC_(50) = 14.50 μmol×L^(–1)). These results provided a basis for future development of these agents as anticancer lead compounds.展开更多
基金supported by the Scientific Research Foundation of Department of Education of Yunnan Province (No. 2010Z035)
文摘After the geometry optimizations at the B3LYP/6-31＋G（d,p） level, the NMR calculations of a series of 9,10-dihydrophenanthrene analogues have been carried out by GIAO method at the HF/6-31＋G（d） level. The calculated ^13C NMR chemical shifts are in agreement with the observed values. By a series of linear correlation equations （δpred = a ＋ bδcal.c） of the ^13C chemical shifts, accurate prediction of ^13C chemical shifts was achieved for the new 9,10- dihydrophenanthrene compound, for which the predicted ^13C NMR chemical shifts are in quite good agreement with the experimental values. The linear correlation between δpred and δexptl is excellent, and the square of correlation coefficient, r^2, is up to 0.9973. The maximum absolute difference between δpred and δexptl, △δ, is 4.5 ppm, and the rms error between δpred and δexpt is 2.55 ppm. In the meantime, according to the theoretical predicted result, we could confirm that the new 9,10-dihydrophenanthrene analogue is erianthridin （2,7-dihydroxy-3,4-dimethoxy-9,10-dihydro- phenanthrene）.
基金supported by the National Natural Science Foundation of China(grant No.30860346)Yunnan Province Basic Research in Social Development Program(grant No.2009CC018)
文摘The present study was designed to identify bioactive compounds similar to those isolated from Dendrobium genus from its relative specie Eria bambusifolia. Compounds 1–10 were isolated and purified using silica gel, MCI CHP-20 gel, Sephadex LH-20, and Lichroprep RP-18 chromatography methods. Their structures were elucidated by means of extensive spectroscopic analyses. The cytotoxicity of these compounds against five human cancer cell lines was tested. Erathrins A and B(1 and 2) were new compounds, and compound 1 represented a novel carbon framework having a phenanthrene-phenylpropane unit with a dioxane moiety. Moreover, compound 1 showed selective cytotoxic activity against HL-60 cells(IC_(50) = 14.50 μmol×L^(–1)). These results provided a basis for future development of these agents as anticancer lead compounds.
文摘目的探究血清瓜氨酸组蛋白H3(citrullinated histone H3,CitH3)、降钙素原(procalcitonin,PCT)及白细胞介素-10(interleukin-10,IL-10)对体外心肺复苏(extracorporeal cardiopulmonary resuscitation,ECPR)后急性肺损伤(acute lung injury,ALI)的预测价值。方法择取2021年1月至2024年4月行ECPR的患者126例,入院次日空腹采血测定患者血清CitH3、PCT、IL⁃10水平。根据ECPR后ALI发生与否分为ALI组与非ALI组,对比两组临床资料及血清CitH3、PCT、IL-10水平,Logistic多因素回归分析ECPR后ALI发生的危险因素。另外受试者工作特征(receive operating characteristic,ROC)曲线分析血清CitH3、PCT、IL-10对ALI的预测价值。结果因6例患者未配合完成相关检查等被剔除,最终纳入120例患者,其中住院期间ALI发生28例(ALI组),ALI未发生92例(非ALI组)。ALI组入院时急性生理学和慢性健康状况评分(Acute Physiology and Chronic Health Scoring System,APACHEⅡ)、序贯器官衰竭评估(Sequential Organ Failure Assessment,SOFA)、心肺复苏到自主循环恢复时间均大于非ALI组(P<0.05);ALI组血清CitH3、PCT、IL-10水平均高于非ALI组(P<0.05)。Logistic多因素回归分析显示心肺复苏到自主循环恢复时间、血清CitH3、PCT及IL-10是ALI发生的独立危险因素(P<0.05)。ROC曲线显示,血清CitH3、PCT、IL-10单一及3项联合预测ALI发生的曲线下面积(area under curve,AUC)分别为0.886、0.837、0.852、0.951,3项联合的AUC均大于PCT、IL-10单一检测(P<0.05)。结论ECPR后ALI发生患者血清CitH3、PCT、IL-10水平上升,对ALI发生有一定的预测价值,特别是联合检测效能更显著。
