SPME-GC×GC-TOF MS fingerprint of virally-infected cell culture: Sample preparation optimization and data processing evaluation

Purcaro, Giorgia; Stefanuto, Pierre-Hugues; Flavio, Franchina; Marco, Beccaria; Wieland-Alter, Wendy; Wright, Peter; Hill, Jane

doi:10.1016/j.aca.2018.03.037

Article (Scientific journals)

SPME-GC×GC-TOF MS fingerprint of virally-infected cell culture: Sample preparation optimization and data processing evaluation

Purcaro, Giorgia; Stefanuto, Pierre-Hugues; Flavio, Franchina et al.

2018 • In Analytica Chimica Acta

Peer Reviewed verified by ORBi

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https://hdl.handle.net/2268/222063

DOI
10.1016/j.aca.2018.03.037

PubMed
29866265

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Keywords :

Solid-phase microextraction (SPME); Comprehensive two-dimensional gas chromatography (GC×GC); Volatile organic compounds (VOCs)

Abstract :

[en] Untargeted metabolomics study of volatile organic compounds produced by different cell cultures is a field that has gained increasing attention over the years. Solid-phase microextraction has been the sampling technique of choice for most of the applications mainly due to its simplicity to implement. However, a careful optimization of the analytical conditions is necessary to obtain the best performances, which are highly matrix-dependent. In this work, five different solid-phase microextraction fibers were compared for the analysis of the volatiles produced by cell culture infected with the human respiratory syncytial virus. A central composite design was applied to determine the best time-temperature combination to maximize the extraction efficiency and the salting-out effect was evaluated as well. The linearity of the optimized method, along with limits of detection and quantification and repeatability was assessed. Finally, the effect of i) different normalization techniques (i.e. z-score and probabilistic quotient normalization), ii) data transformation (i.e. in logarithmic scale), and iii) different feature selection algorithms (i.e. Fisher ratio and random forest) on the capability of discriminating between infected and not-infected cell culture was evaluated.

Disciplines :

Chemistry

Author, co-author :

Purcaro, Giorgia ^✱; Université de Liège - ULiège > Agronomie, Bio-ingénierie et Chimie (AgroBioChem) > Chimie des agro-biosystèmes

Stefanuto, Pierre-Hugues ^✱; Université de Liège - ULiège > Département de chimie (sciences) > Chimie analytique, organique et biologique

Flavio, Franchina

Marco, Beccaria

Wieland-Alter, Wendy

Wright, Peter

Hill, Jane

^✱ These authors have contributed equally to this work.

Language :

English

Title :

SPME-GC×GC-TOF MS fingerprint of virally-infected cell culture: Sample preparation optimization and data processing evaluation

Publication date :

March 2018

Journal title :

Analytica Chimica Acta

ISSN :

0003-2670

eISSN :

1873-4324

Publisher :

Elsevier, Netherlands

Peer reviewed :

Peer Reviewed verified by ORBi

Additional URL :

https://www.sciencedirect.com/science/article/pii/S0003267018304161

Funders :

Marie Curie COFUND program

Available on ORBi :

since 12 April 2018

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