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Interrelation of Retention Factor of Amino-Acids by QSPR and Linear Regression
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  • Interrelation of Retention Factor of Amino-Acids by QSPR and Linear Regression
  • Interrelation of Retention Factor of Amino-Acids by QSPR and Linear Regression
저자명
Lee. Seung-Ki,Polyakova. Yulia,Row. Kyung-Ho
간행물명
Bulletin of the Korean Chemical Society
권/호정보
2003년|24권 12호|pp.1757-1762 (6 pages)
발행정보
대한화학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
서지반출

기타언어초록

The interrelation between retention factors of several L-amino acids and their physico-chemical and structural properties can be determined in chromatographic research. In this paper we describe a predictor for retention factors with various properties of the L-amino acids. Eighteen L-amino acids are included in this study, and retention factors are measured experimentally by RP-HPLC. Binding energy ($E_b$), hydrophobicity (log P), molecular refractivity (MR), polarizability (${alpha}$), total energy ($E_t$), water solubility (log S), connectivity index (${chi}$) of different orders and Wiener index (w) are theoretically calculated. Relationships between these properties and retention factors are established, and their predictive and interpretive ability are evaluated. The equation of the relationship between retention factors and various descriptors of L-amino acids is suggested as linear and multiple linear form, and the correlation coefficients estimated are relatively higher than 0.90.