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Differentiation of highbush blueberry (Vaccinium corymbosum L.) fruit cultivars by GC–MS-based metabolic profiling

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Abstract

Highbush blueberries (Vaccinium corymbosum L.) are cultivated worldwide for their fruit with unique taste and potential health benefits. Blueray, Bluecrop, and Spartan are prominent among the various blueberry cultivars. We performed gas chromatography–mass spectrometry (GC–MS)-based metabolic profiling to differentiate the fruits of these three cultivars, and built an optimal partial least squares-discriminant analysis (PLS-DA) model to separate them. Amino acids, fatty acids, organic acids, phenolic compounds, and sugars were identified in the fruits. The optimized PLS-DA model for different cultivars of the fruits was obtained by selecting variables based on a variable importance in the projection (VIP) cut-off value of 1.0. Caffeic acid, aspartic acid, acetic acid, threonolactone, inositol, xylose, glucoside, linolenic acid, mannose, altrose, glycine alanine, and valine were found to be relevant and contributing compounds for differentiating cultivars. In addition, a hierarchical cluster analyses dendrogram pattern was correlated with the PLS-DA. This study suggested that GC–MS-based metabolic profiling coupled with multivariate statistical analysis could be used to differentiate the fruits of three major highbush blueberry cultivars.

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Acknowledgments

This work was supported by the Chung-Ang University excellent freshman scholarship grants and by the “Cooperative Research Program for Agriculture Science & Technology Development (Project No. PJ008550)” funded by Rural Development Administration.

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Correspondence to Joong-Hyuck Auh or Hyung-Kyoon Choi.

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Da Yeon Kim and So-Hyun Kim contributed equally to this work.

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13765_2015_9_MOESM1_ESM.tif

Figure S1. Representative chromatograms of a Blueray, b Bluecrop, C Spartan fruit samples analyzed by gas chromatography–mass spectrometry (GC–MS). (TIFF 2432 kb)

13765_2015_9_MOESM2_ESM.tif

Figure S2. Principal component analysis (PCA) derived score plots of the blueberry fruit cultivars without variable selection. The continuous-line ellipse indicates the 95 % confidence region. (TIFF 71 kb)

13765_2015_9_MOESM3_ESM.tif

Figure S3. Representative mass spectra of the valine (molecular ion at m/z 144). a in sample, b in NIST MS Library, c in Golm metabolome database. (TIFF 57 kb)

13765_2015_9_MOESM4_ESM.tif

Figure S4. Representative mass spectra of the threonolactone (molecular ion at m/z 147). a in sample, b in NIST MS Library, c in Golm metabolome database. (TIFF 57 kb)

13765_2015_9_MOESM5_ESM.tif

Figure S5. Representative mass spectra of the caffeic acid (molecular ion at m/z 396). a in sample, b in NIST MS Library, c in Golm metabolome database. (TIFF 56 kb)

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Kim, D.Y., Kim, SH., Ahn, H.M. et al. Differentiation of highbush blueberry (Vaccinium corymbosum L.) fruit cultivars by GC–MS-based metabolic profiling . J Korean Soc Appl Biol Chem 58, 21–28 (2015). https://doi.org/10.1007/s13765-015-0009-y

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