화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2003년 가을 (10/24 ~ 10/25, 한양대학교)
권호 9권 2호, p.2147
발표분야 생물화공
제목 Interrelation of Retention Factor of Amino-Acids by QSPR and Linear Regression
초록 Interrelation between retention factors of several L-amino acids and their physico-chemical and structural properties can be made successfully in chromatographic researches. In this paper we have described the prediction for retention factor in various properties of the L-amino acids. Eighteen L-amino acids were included in the study, and the retention factors were measured experimentally by RP-HPLC. Binding energy (Eb), hydrophobicity (log P), molecular refractivity (MR), polarizability (α), total energy (Et), water solubility (log S), connectivity index (Χ) of different orders and wiener index (w) were theoretically calculated. Relationships between these properties and retention factors are established, and their predictive and interpretive ability are evaluated. The equation between retention factors and various descriptors of L-amino acids was suggested as k = a + b(P), and the correlation coefficients estimated were relatively higher than 0.90.
저자 노경호, 이승기, Yulia Polyakova
소속 인하대
키워드 Amino-acids; QSPR; Linear regression
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