QSRR Study on GC Retention Time of Volatile Components from Hawthorn Perfume

Li Ping Cheng; Li Sheng; Pa Du

doi:10.4028/www.scientific.net/AMR.236-238.2815

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 236-238QSRR Study on GC Retention Time of Volatile...

QSRR Study on GC Retention Time of Volatile Components from Hawthorn Perfume

Abstract:

Hawthorn fruit is highly valuable to be used as functional nutraceutical food and traditional medicine. To better explore the main components of hawthorn perfume, it is important to develop the study of predicting GC retention time of volatile components. In this paper, quantitative structure-retention relationship (QSRR) study had been carried out. The obtained models have good predictive ability and are of high statistical significance. The results show that log P and the most positive partial charge on non-hydrogen atom (q⁺) descriptors play important roles in determining component’s GC retention time. The retention time on the Ultra column increases with lipophilicity of volatile components. The more positive the q⁺ in analyte, the longer the GC retention time is.

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Periodical:

Advanced Materials Research (Volumes 236-238)

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2815-2819

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.236-238.2815

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Online since:

May 2011

Authors:

Li Ping Cheng, Li Sheng, Pa Du

Keywords:

Hawthorn, Quantitative Structure-Retention Relationship (QSRR), Retention Time

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