|
KMID : 0606320020180010047
|
|
Journal of Phamacetical Sciences Sookmyung Women s University
2002 Volume.18 No. 1 p.47 ~ p.58
|
|
|
Use of Malinowski’s Factor Indicator Function to Get Principal Component Models of SIMCA
|
|
Cho Jung-Hwan
|
|
|
Abstract
|
|
|
|
NIR(Near-Infrared) Spectroscopy is a nondestructive technique and gives fingerprint- type information. It is generally fast compared to other analytical techniques, and usually, minimum sample preparation is required. For these good reasons, NIR spectroscopy has been widely applied in agricultural, petrochemical, flood, polymers, textile, pulp and paper, chemicals, cosmetics, medical and pharmaceutical applications. Particularly, it has been well studied in agricultural and food industry because of fast analysis. Moreover, by market opening in Korea, it became important to discriminate the origins of agricultural products. In this paper, a method of pattern recognition basically based on SIMCA(soft independent method of class analoar) is described for the discrimination of geological origin of a crude drug. Instead of PRESS(prediction residual error sum of squares) by cross-validation with leave-one-out method, Malinowski’s fActor indicator(IND) function is used for determining the number of principal components for a class model in terms of application simplicity and computational time to get the results. The tested crude drug was Scutellaria Radix. When autoscaling and 2nd derivative of NIR spectra wen used as preprocessing, the results of geological discrimination of the crude drug was successful without any misclassification. To get an answer why this klnd of discrimination can be achieved with NlR spectral data and the modified SIMCA, the results of HPLC and CE fur glycoside and aglycons of Scutellaria Radix were compared. The concentration ratios, glycoside over aglycons were completely different by the geological origins of the crude drug. In conclusion, NIR spectral data and the method of modified SIMCA with Malinowski’s IND can give fingerprint-type information on the geological origins of the crude drug.
|
|
|
KEYWORD
|
|
|
|
|
|
FullTexts / Linksout information
|
|
|
|
|
|
Listed journal information
|
|
|
|
|