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Ripening-dependent metabolic changes in the volatiles of pineapple (Ananas comosus (L.) Merr.) fruit: II. Multivariate statistical profiling of pineapple aroma compounds based on comprehensive two-dimensional gas chromatography-mass spectrometry

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Abstract

Ripening-dependent changes of pineapple volatiles were studied in a nontargeted profiling analysis. Volatiles were isolated via headspace solid phase microextraction and analyzed by comprehensive 2D gas chromatography and mass spectrometry (HS-SPME-GC×GC-qMS). Profile patterns presented in the contour plots were evaluated applying image processing techniques and subsequent multivariate statistical data analysis. Statistical methods comprised unsupervised hierarchical cluster analysis (HCA) and principal component analysis (PCA) to classify the samples. Supervised partial least squares discriminant analysis (PLS-DA) and partial least squares (PLS) regression were applied to discriminate different ripening stages and describe the development of volatiles during postharvest storage, respectively. Hereby, substantial chemical markers allowing for class separation were revealed. The workflow permitted the rapid distinction between premature green-ripe pineapples and postharvest-ripened sea-freighted fruits. Volatile profiles of fully ripe air-freighted pineapples were similar to those of green-ripe fruits postharvest ripened for 6 days after simulated sea freight export, after PCA with only two principal components. However, PCA considering also the third principal component allowed differentiation between air-freighted fruits and the four progressing postharvest maturity stages of sea-freighted pineapples.

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Abbreviations

1 t R :

1D retention time

2 t R :

2D retention time

ACP:

Acyl carrier protein

ANOVA:

Analysis of variance

CoA:

Coenzyme A

dah:

Days after harvest

FR:

Fully ripe

GC:

Gas chromatography

GC×GC:

Comprehensive 2D gas chromatography

GR:

Green-ripe

HCA:

Hierarchical cluster analysis

HS:

Headspace

LV:

Latent variable

MS:

Mass spectrometry

PC:

Principal component

PCA:

Principal component analysis

PLS regression:

Partial least squares regression

PLS-DA:

Partial least squares discriminant analysis

qMS:

Quadrupole mass spectrometry

SPME:

Solid phase microextraction

VID:

Variable identification (coefficient)

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Acknowledgments

The authors would like to thank Mr. Frank Oberschilp (Peelco Ltd., Accra, Ghana) and Mr. Fritz Schumacher (Schumacher GmbH, Filderstadt-Bernhausen, Germany) for supplying the pineapple fruits. One of the authors (C.B.S.) gratefully acknowledges a Ph.D. scholarship by the Landesgraduiertenförderung Baden-Württemberg. We are grateful for the financial support by the Ministerium für Umwelt, Landwirtschaft, Ernährung, Weinbau und Forsten (MULEWF, Rheinland-Pfalz, Germany). C.B.S. gratefully acknowledges Dr. Herbert Steingass (Hohenheim University) for the fruitful discussions.

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Authors and Affiliations

  1. Institute of Food Science and Biotechnology, Plant Foodstuff Technology and Analysis, Hohenheim University, Garbenstrasse 25, 70599, Stuttgart, Germany

    Christof Björn Steingass & Reinhold Carle

  2. Dienstleistungszentrum Ländlicher Raum (DLR) Rheinpfalz, Competence Center for Wine Research, Breitenweg 71, 67435, Neustadt an der Weinstrasse, Germany

    Manfred Jutzi & Hans-Georg Schmarr

  3. Institute of Microbiology, Ernst-Moritz-Arndt University Greifswald, Friedrich Ludwig Jahn Strasse 15, 17487, Greifswald, Germany

    Jenny Müller

  4. Biological Science Department, Faculty of Science, King Abdulaziz University, P.O. Box 80257, Jeddah, 21589, Saudi Arabia

    Reinhold Carle

Authors
  1. Christof Björn Steingass
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  2. Manfred Jutzi
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  4. Reinhold Carle
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  5. Hans-Georg Schmarr
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Correspondence to Christof Björn Steingass.

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Steingass, C.B., Jutzi, M., Müller, J. et al. Ripening-dependent metabolic changes in the volatiles of pineapple (Ananas comosus (L.) Merr.) fruit: II. Multivariate statistical profiling of pineapple aroma compounds based on comprehensive two-dimensional gas chromatography-mass spectrometry. Anal Bioanal Chem 407, 2609–2624 (2015). https://doi.org/10.1007/s00216-015-8475-y

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