Correlation between Topological Indexes and lgS of β-Carotene

doi:10.7506/spkx1002-6630-200917006

FOOD SCIENCE ›› 2009, Vol. 30 ›› Issue (17 ): 38-40.doi: 10.7506/spkx1002-6630-200917006

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Correlation between Topological Indexes and lgS of β-Carotene

DU Xi-hua，CHEN Yan

School of Chemistry and Chemical Engineering, Xuzhou Institute of Technology, Xuzhou 221008, China

Received:2009-04-23 Online:2009-09-01 Published:2014-04-14
Contact: DU Xi-hua E-mail:dxh@xzit.edu.cn

Abstract

Abstract:

A new connectivity index mL and some topological parameters such as 0χ, 3χc, 5χc and I1 were obtained by molecular graphics techniques and AM1 method to analyze the quantitative structure-property relationship (QSPR) of solubility (lgS) of β-carotene and a multiple regression model for predicting the lgS of β-carotene was established. The multiple regression coefficient (R2Adj) and the standard deviation were 0.9124 and 0.338, respectively. The estimated lgS values were in good agreement with the observed values with a mean deviation of 0.208.

Key words: connectivity index, topological parameter, β-carotene, solubility, QSPR

CLC Number:

DU Xi-hua，CHEN Yan. Correlation between Topological Indexes and lgS of β-Carotene[J]. FOOD SCIENCE, 2009, 30(17 ): 38-40.

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Correlation between Topological Indexes and lgS of β-Carotene

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