Xiao-li Sun

Publications (2)1.69 Total impact

• Article: [Extraction of spectral information of additives from activated manganese dioxide products using adaptive kernel independent component analysis].

  Guo-qing Wang, Yang Peng, Shao-wen Liu, Xiao-li Sun, Jian-bo Zhao, Yu-an Sun, Ying-fan Liu
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  ABSTRACT: The additives were abstracted from the manganese dioxide products with four kinds of organic solvents, ether, acetone, chloroform and toluene. The extracts were then baked and their attenuated total reflectance (ATR) FTIR spectra were measured using liquid membrane method. The number of chemical components of the additives was determined by median absolute deviation (MAD), and the spectral information of the pure component was extracted by kernel independent component analysis (KICA). The extracted spectral information of the additives is accordant to that of the practically used compounds. An adaptive kernel independent component analysis (AKICA) was proposed for directive extraction of spectral information from chemical mixtures. The results demonstrated that the AKICA method provides an alternative approach to extracting spectral information from the chemical mixtures without previously chemical or physical preseparation for direct extracting spectral information of pure components in the mixed system.
  Guang pu xue yu guang pu fen xi = Guang pu 05/2011; 31(5):1340-3. · 0.84 Impact Factor
• Article: [Theoretical study on infrared vibration spectrum of catalpol by DFT].

  Xiao-li Sun, Chun-hong Doing, Yu-an Sun, De-xue Fu, Bing Xie, Guo-qing Wang
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  ABSTRACT: The catalpol, which can be isolated from the Chinese traditional herbs Rehmannia glutinosa as an effective and active ingredient, is an iridoid glycoside with many pharmacological functions. The molecular structure and the infrared (IR) spectrum of catalpol were calculated using density-functional theory (B3LYP) at 6-311G** level, and the theoretical frequency was scaled by 0. 96. The vibrational modes of IR spectrum were assigned and compared with that of the experimental data. The calculated IR spectral features from DFT are in good agreement with the experimental ones. The results indicate that DFT is an useful method for the structure optimization and IR spectrum calculation of the iridoid compounds, which can be isolated from natural resources and often with difficulty. The theoretical calculation results of IR spectrum can provide useful information for the prediction of the theoretical property and investigation of the structure-activity relationship of the iridoid compounds.
  Guang pu xue yu guang pu fen xi = Guang pu 09/2009; 29(9):2383-7. · 0.84 Impact Factor