title: 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.
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.
authors: Institute of Food Science and Biotechnology, Plant Foodstuff Technology and Analysis, Hohenheim University, Garbenstrasse 25, 70599, Stuttgart, Germany, christof.steingass@uni-hohenheim.de.
authors: Christof Björn
authors: CB
authors: Steingass
authors: Manfred
authors: M
authors: Jutzi
authors: Jenny
authors: J
authors: Müller
authors: Reinhold
authors: R
authors: Carle
authors: Hans-Georg
authors: HG
authors: Schmarr
mesh_terms: D031230:Ananas / Q000737:chemistry* / Q000254:growth & development / Q000378:metabolism; D016002:Discriminant Analysis; D005638:Fruit / Q000737:chemistry / Q000254:growth & development / Q000378:metabolism; D008401:Gas Chromatography-Mass Spectrometry / Q000295:instrumentation / Q000379:methods; D015999:Multivariate Analysis; D009812:Odorants / Q000032:analysis; D025341:Principal Component Analysis; D055549:Volatile Organic Compounds / Q000737:chemistry* / Q000378:metabolism
chemical_list: D055549:Volatile Organic Compounds