Chapter 73 - Rapid Quantification Technique without Authentic Samples

Reporting the composition of complex mixtures by “semi-quantification” after GC/FID gives rise to large biases [1]. We have previously shown that the relative response factors (RRFs) can be predicted from combustion enthalpies, themselves predicted by ab initio calculation, or from molecular formula...

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Bibliographic Details
Published inFlavour Science pp. 391 - 395
Main Authors Chaintreau, Alain, Tissot, Emeline, Rochat, Sabine
Format Book Chapter
LanguageEnglish
Published Elsevier Inc 2014
Subjects
GC/FID
internal standardization
quantification
response factors
GC/FID
response factors
internal standardization
quantification
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Summary:Reporting the composition of complex mixtures by “semi-quantification” after GC/FID gives rise to large biases [1]. We have previously shown that the relative response factors (RRFs) can be predicted from combustion enthalpies, themselves predicted by ab initio calculation, or from molecular formulae [2]. Therefore, the RRFs can be simulated with good accuracy for all volatile constituents of flavors and fragrances. The usefulness of such calculated RRFs is exemplified here with three different quantification cases that would be time-consuming when using conventional internal standardization, or not feasible without the pure standards.
ISBN:012401724X
9780123985491
0123985498
9780124017245
DOI:10.1016/B978-0-12-398549-1.00073-8