NDLI: Quantitative structure-capillary column gas chromatographic retention time relationships for natural sterols (trimethylsilyl ethers) from olive oil

Content Provider	Springer Nature Link
Author	Acuña Cueva, Rocío Hueso Ureña, Francisco Illán Cabeza, Nuria A. Jiménez Pulido, Sonia B. More Carretero, Miguel N. Martínez Martos, José M.
Copyright Year	2000
Abstract	A study of the relationship between the capillary column gas chromatographic retention times on two different columns (SE-54 and SE-52) for a group of trimethylsilyl ethers derived from 16 natural sterols found in olive oil and an initial set of 60 molecular descriptors was made. Three kinds of molecular descriptors were used: conventional, topological, and quantumchemical parameters. By using multivariable regression, two empirical functions for each column were obtained, which were selected on the basis of their respective statistical parameters. The first model relates the retention index with the quantum-chemical descriptors and the second with both topological and conventional descriptors. In all cases, the correlation coefficients of the empirical functions were higher than 0.9880, and the mean relative errors range between 2.88 and 3.24%. In any case, both models could be used, although the second model could be more useful and preferable because it has higher R $^{2}$ values and a lower standard error percentage, giving slightly more exact results.
Starting Page	627
Ending Page	630
Page Count	4
File Format	PDF
ISSN	0003021X
Journal	Journal of the American Oil Chemists' Society
Volume Number	77
Issue Number	6
e-ISSN	15589331
Language	English
Publisher	Springer-Verlag
Publisher Date	2000-01-01
Publisher Place	Berlin, Heidelberg
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Olive oil QSAR QSRR sterols Chemistry/Food Science Analytical Chemistry Biotechnology Industrial Chemistry/Chemical Engineering Biomaterials Agriculture
Content Type	Text
Resource Type	Article
Subject	Organic Chemistry Chemical Engineering

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