基于模拟退火优化的定量重聚INEPT方法

陈雷,刘红兵,刘惠丽,王立英

Quantitative Refocused INEPT Method Based on Simulated Annealing Optimization

CHEN Lei,LIU Hongbing,LIU Huili,WANG Liying

表1 青蒿素13C NMR谱的定量积分结果

Table 1 Quantitative integral results of 13C NMR spectra of artemisinin sample

编号 化学位移 基团 积分面积 倍数 zgig45 Q-RINEPT A1 93.74 CH 0.402±0.001 1.009±0.004 2.51 A2 50.08 CH 0.400±0.006 0.985±0.002 2.47 A3 44.97 CH 0.404±0.001 1.002±0.001 2.48 A4 37.54 CH 0.409±0.002 0.987±0.001 2.41 A5 35.92 CH2 0.402±0.007 0.994±0.006 2.47 A6 33.61 CH2 0.404±0.005 0.985±0.002 2.44 A7 32.92 CH 0.404±0.006 0.999±0.007 2.47 A8 25.23 CH3 0.401±0.005 1.017±0.002 2.54 A9 24.86 CH2 0.402±0.002 1.001±0.005 2.49 A10 23.42 CH2 0.417±0.005 1.002±0.002 2.40 A11 19.86 CH3 0.411±0.009 1.047±0.004 2.55 A12 12.60 CH3 0.407±0.003 1.005±0.007 2.47 平均值±标准偏差 0.405±0.005 1.003±0.016 2.48 相对标准差 1.2% 1.6%