YAKHAK HOEJI (약학회지)

The Pharmaceutical Society of Korea (대한약학회)
권호 표지

Pattern Recognition Using NMR Spectral Data for Metabonomic Analysis of Urine Samples from Experimental Animals

실험동물 뇨시료의 대사체학적 분석을 위한 핵자기공명스펙트럼 패턴인식

  • Joo Hyun Jin (College of Pharmacy, Sookmyung Women's University) ;
  • Cho JungHwan (College of Pharmacy, Sookmyung Women's University)
  • 주현진 (숙명여자대학교 약학대학) ;
  • 조정환 (숙명여자대학교 약학대학)
  • Published : 2005.02.01
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Abstract

Metabonomic analysis has been recognized as a powerful approach for characterizing metabolic changes in biofluids due to toxicity, disease process or environmental influences. To investigate the possibility of relating metabolic changes with $^{1}H-NMR$ spectra, urine samples from Sprague-Dawley rats treated with various dietary restrictions or toxic substances (nicotine) were analysed using $^{1}H-NMR$ spectroscopy and pattern recognition techniques. Dietary restrictions-given to male rats were normal diet and high fat diet and fasting. The nicotine urine samples were collected from SD rats administered with nicotine (25 mg/kg) at the various time intervals. $^{1}H-NMR$ spectra of all urine samples were acquired at 400 MHz on a VARIAN spectrometer. To establish the presence of any intrinsic class-related patterns or clusters in each NMR data, methods of PCA (principal component analysis) and soft independent modeling of class analogy (SIMCA) analysis were used, and the results from these analyses were compared to each other. In all cases of dietary conditions and nicotine treatment, SIMCA analysis gave better results for the discrimination of NMR spectra of urine samples than PCA.

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References

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