Quantification in Gas Chromatography: Prediction of Flame Ionization Detector Response Factors from Combustion Enthalpies and Molecular Structures

Laumer, Jean‐Yves de Saint; Cicchetti, Esmeralda; Merle, Philippe; Egger, Jonathan; Chaintreau, Alain

doi:10.1021/ac1006574

Cited by 138 publications

(106 citation statements)

References 21 publications

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“…2‐Octanol was used as an internal standard in the extractions, since it fulfilled all important criteria. A combination between experimental calibration by internal standards and FID response factor prediction was carried out according to de Saint Laumer et al …”

Section: Methodsmentioning

confidence: 99%

Elucidation of hulling‐induced changes in the aroma and aroma‐active compounds of cv. Uzun pistachio (Pistacia vera)

2019

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BACKGROUND The purpose of this study was to define the effects of the hulling process on the aroma and aroma‐active composition of cv. Uzun pistachio. Four different hulling processes, namely wet, wet‐dry, dry‐dry and brine, were applied. In addition, solvent‐assisted flavor evaporation (SAFE), simultaneous distillation/extraction (SDE) and purge and trap (P&T) extraction methods were also tested to obtain the best representative aroma extract. RESULTS The results revealed that the dry‐dry hulling method was the most prominent according to the aroma and aroma‐active compounds, and this was especially the case with terpene compounds. The method increased the content of terpenes, pyrazines and total aroma compounds. By application of aroma extract dilution analysis (AEDA), a total of 18 compounds were detected, of which 11 were identified for the first time in the fruit of pistachio. 2,3‐Dimethylpyrazine, trimethylpyrazine and 2‐ethyl‐3,5‐dimethylpyrazine were the compounds that had the highest flavour dilution factors. CONCLUSION In general, the results of the present research indicated that the hulling method highly affected the overall aroma structure of pistachios. The dry‐dry hulling method is therefore suggested to manufacturers to obtain better pistachios with rich and high‐quality aroma. © 2019 Society of Chemical Industry

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Section: Methodsmentioning

confidence: 99%

Elucidation of hulling‐induced changes in the aroma and aroma‐active compounds of cv. Uzun pistachio (Pistacia vera)

2019

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“…The response factors on the FID of other compounds were predicted by using the method reported by de Saint Laumer et al [43] More details on the calibration and predictive quantification method, examples of chromatographs, and a list of identified and quantified compounds are given in the Supporting Information. The connection line was reduced to its minimum (few centimeters at % 350 8C) and rinsed after each experiment.…”

Section: Analysis Of Lignin-derived Bio-oils and Gasesmentioning

confidence: 99%

Aromatic Chemicals by Iron‐Catalyzed Hydrotreatment of Lignin Pyrolysis Vapor

Olcese¹,

Lardier²,

Bettahar³

et al. 2013

ChemSusChem

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Lignin is a potential renewable material for the production of bio-sourced aromatic chemicals. We present the first hydrotreatment of lignin pyrolysis vapors, before any condensation, using inexpensive and sustainable iron-silica (Fe/SiO2 ) and iron-activated carbon (Fe/AC) catalysts. Lignin pyrolysis was conducted in a tubular reactor and vapors were injected in a fixed bed of catalysts (673 K, 1 bar) with stacks to investigate the profile of coke deposit. More than 170 GC-analyzable compounds were identified by GCxGC (heart cutting)/flame ionization detector mass spectrometry. Lignin oligomers were analyzed by very high resolution mass spectrometry, called the "petroleomic" method. They are trapped by the catalytic fixed bed and, in particular, by the AC. The catalysts showed a good selectivity for the hydrodeoxygenation of real lignin vapors to benzene, toluene, xylenes, phenol, cresols, and alkyl phenols. The spent catalysts were characterized by temperature-programmed oxidation, transmission electron microscopy (TEM), and N2 sorption. Micropores in the Fe/AC catalyst are completely plugged by coke deposits, whereas the mesoporous structure of Fe/SiO2 is unaffected. TEM images reveal two different types of coke deposit: 1) catalytic coke deposited in the vicinity of iron particles and 2) thermal coke (carbonaceous particles ≈1 μm in diameter) formed from the gas-phase growth of lignin oligomers.

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“…In 2010, de Saint Laumer et al. correlated RRF with the heat of combustion (Δ H ° C ) of compounds. Later in 2012, Tissot et al.…”

Section: Introductionmentioning

confidence: 99%

Method to predict gas chromatographic response factors for the trace‐level analysis of volatile organic compounds based on the effective carbon number concept

Szulejko

Kim

2013

J of Separation Science

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A procedure has been developed to estimate GC-MS response factors based on the theory of effective carbon number defined as the sum of the carbon number and carbon number equivalent for each selected molecular descriptor (multiplied by its number of occurrences) in each compound's molecular structure. As a means to validate the effective carbon number procedure for GC-MS analysis, a test suite of 19 volatile organic compounds was analyzed by the sorbent-tube thermal desorption method. In the effective carbon number procedure, the carbon number equivalent for each descriptor was determined to yield the optimal linear plots between response factor versus the effective carbon number with the maximum R(2) (>0.975) and the minimum mean absolute error (<5%). Effective carbon number analysis is validated as a potent approach to estimate response factor values for most compounds amenable to the sorbent-tube thermal desorption GC-MS method. Overall, it is concluded that the application of response factor versus effective carbon number relationship can produce fairly reliable prediction with reduced errors relative to other comparable procedures such as the response factor versus the carbon number approach.

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Quantification in Gas Chromatography: Prediction of Flame Ionization Detector Response Factors from Combustion Enthalpies and Molecular Structures

Cited by 138 publications

References 21 publications

Elucidation of hulling‐induced changes in the aroma and aroma‐active compounds of cv. Uzun pistachio (Pistacia vera)

Elucidation of hulling‐induced changes in the aroma and aroma‐active compounds of cv. Uzun pistachio (Pistacia vera)

Aromatic Chemicals by Iron‐Catalyzed Hydrotreatment of Lignin Pyrolysis Vapor

Method to predict gas chromatographic response factors for the trace‐level analysis of volatile organic compounds based on the effective carbon number concept

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