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李梦龙, 康彬, 戚华溢, 文志宁
高等学校化学学报,2002,23:1281~1284,-0001,():
-1年11月30日
提出了用于红外光谱小波压缩中压缩性能的评价方法。所建立的控制恢复根均方差算法能在给定恢复根均方差的情况下得到压缩比,控制的精度较高,相对标准偏差约为8%,可以满足对恢复谱图的误差估计和最佳压缩参数评价的需要。对于不同的信号,同一小波函数所表现出来的压缩性能也不一样,所以在预控根均方差算法下评价压缩性能时,还应考虑选择有代表性的红外谱图来进行。
红外光谱, 压缩, 小波变换
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李梦龙, 罗明亮, 李梦龙*
华学学报,2000,58(11):1409~1412,-0001,():
-1年11月30日
针对化学领域中的非线性关系特点,在常规BP网络基础上,提出了一种“杂交”型BP网络,包含两个隐层,并有输入层到输出层的直连接.它可很好地解释数据中同时存在的线性及非线性关系,效果优于多元回归法及普通BP算法。
BP网络,, 非线性校正,, 定量构效关系
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【期刊论文】Substructure Prediction from Infrared Spectra by Using Support Vector Machines
李梦龙, Jun Hong LIU, Min Chun LU, Fu Sheng NIE, Xiao Yu FENG, Meng Long LI∗
Chinese Chemical Letters Vol. 16, No.10, pp 1354-1356, 2005,-0001,():
-1年11月30日
The potential of support vector machines (SVMs) for the substructure elucidation of infrared spectra have been investigated. The trained SVMs can identify the 16 substructures with high accuracy.
Infrared spectra,, substructures,, support vector machines.,
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李梦龙, Xiaoli Zoua, Yuanqian Lia, ∗, Menglong Lib, Bo Zhenga, Jingguo Yangc
Talanta 62(2004)719-725,-0001,():
-1年11月30日
Simultaneous determination of tin, germanium and molybdenum in food samples has been established by flow injection-charge coupled detector (CCD) diode array detection spectrophotometry with partial least squares (PLS) algorithm. The methodwas based on the chromogenic reaction of metal ions and salicylflurone in the presence of cetyltrimethyl ammonium bromide. The overlapping spectra of these complexes are collected by CCD diode array detector and the multi-wavelength absorbance data are processed using partial least squares algorithm. The reaction conditions and analytical parameters of flow injection analysis have been investigated. The method was applied to directly determine Ge, Mo and Sn in several food samples after digestion with satisfactory results. The recoveries of spiked samples were 80.0-102.0% for tin, 86.3-92.0% for germanium and 83.2-95.2% for molybdenum, and the relative standard deviations for samples were 4.4-7.8%. Molybdenum in certified reference material of cattle liver was determined by the proposed method (n=8). The differential values between determined and guarantee values were within the given uncertain value ranges (t=1.687,P>0.05 for t-test). The samples of mung bean, kelp and pork liver were analyzed by the proposed method and inductively couple plasma-atomic emission spectroscopy (ICP-AES) method. The determination results of the two methods are in good agreement. The sampling rate is 30 samples h−1.
Germanium, Molybdenum, Tin, Flow injection analysis, CCD diode array detector, Partial least squares, Salicylflurone, Food analysis
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【期刊论文】Sesquiterpene Lactones from Notoseris Porphyrolepis
李梦龙, Feng Lan XU k. Jun TIAN*, Meng Long LI:, Li Sheng DING, Feng E WU
Chinese Chemical Letters Vol. 11, No.10 PP. 905-908, 2000,-0001,():
-1年11月30日
Votoserts porplo'rolep#s. Asteraceae. sesquiterpenc lactones, guaianolides, noto-serolides A and B.
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