Non target screening strategy based on GC-Q-TOF for Scotch whisky authentication.

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22330%2F17%3A43914082" target="_blank" >RIV/60461373:22330/17:43914082 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Non target screening strategy based on GC-Q-TOF for Scotch whisky authentication.

Popis výsledku v původním jazyce

Whisky is one of the most popular spirit drinks in the world. Unfortunately, this high valued commodity is vulnerable to fraud. To detect fraudulent practices and document quality parameters, a number of laboratory tests based on various principles including chromatography and spectroscopy has been developed. In most cases, the analytical methods are based on targeted screening strategies. In our study, to isolate and pre-concentrate as much as possible volatile and semi-volatile compounds, ethyl acetate extraction was used. In the next step, non-target approach, fingerprinting of whisky components based on gas chromatography coupled with tandem mass spectrometry (Q-TOF mass analyzer) was employed. The data obtained by analysis of a unique set of 180 authentic whisky samples (differing in region of origin, maturation in various cask and age) provided by the Scotch Whisky Research Institute were assessed by advanced chemometric methods. Principal component analysis (PCA), partial least squares discriminant analysis (PLS?DA) and orthogonal PLS?DA were applied for classification model construction. Very good separation according maturation casks (bourbon, sherry, red, white and port wine) was achieved significant markers most contributing to the clustering were identified (e.g. diethyl tartrate or vanillin acetate). In the next phase, 20 fake samples and 24 ´unknown´ samples were analyzed and the data processed in the same way. Some differences could be observed in volatiles profiles of authentic and fake samples. Employing the chemometric model developed for this purpose, marker compounds enabling distinguishing fake samples were found. Based on their mass spectra, several food additives were identified. These ´new´ markers might be added on the target analytes list for a routine control.

Název v anglickém jazyce

Non target screening strategy based on GC-Q-TOF for Scotch whisky authentication.

Popis výsledku anglicky

Whisky is one of the most popular spirit drinks in the world. Unfortunately, this high valued commodity is vulnerable to fraud. To detect fraudulent practices and document quality parameters, a number of laboratory tests based on various principles including chromatography and spectroscopy has been developed. In most cases, the analytical methods are based on targeted screening strategies. In our study, to isolate and pre-concentrate as much as possible volatile and semi-volatile compounds, ethyl acetate extraction was used. In the next step, non-target approach, fingerprinting of whisky components based on gas chromatography coupled with tandem mass spectrometry (Q-TOF mass analyzer) was employed. The data obtained by analysis of a unique set of 180 authentic whisky samples (differing in region of origin, maturation in various cask and age) provided by the Scotch Whisky Research Institute were assessed by advanced chemometric methods. Principal component analysis (PCA), partial least squares discriminant analysis (PLS?DA) and orthogonal PLS?DA were applied for classification model construction. Very good separation according maturation casks (bourbon, sherry, red, white and port wine) was achieved significant markers most contributing to the clustering were identified (e.g. diethyl tartrate or vanillin acetate). In the next phase, 20 fake samples and 24 ´unknown´ samples were analyzed and the data processed in the same way. Some differences could be observed in volatiles profiles of authentic and fake samples. Employing the chemometric model developed for this purpose, marker compounds enabling distinguishing fake samples were found. Based on their mass spectra, several food additives were identified. These ´new´ markers might be added on the target analytes list for a routine control.

Druh

D - Stať ve sborníku

CEP obor

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OECD FORD obor

10406 - Analytical chemistry

Projekt

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Návaznosti

R - Projekt Ramcoveho programu EK

Rok uplatnění

2017

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název statě ve sborníku

FOODINTEGRITY 2017 CONFERENCE

ISBN

978-88-941066-5-7

ISSN

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e-ISSN

neuvedeno

Počet stran výsledku

2

Strana od-do

77-78

Název nakladatele

Barilla

Místo vydání

Parma

Místo konání akce

Parma

Datum konání akce

10. 5. 2017

Typ akce podle státní příslušnosti

WRD - Celosvětová akce

Kód UT WoS článku

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