Near-infrared reflection spectroscopy and partial least squares regression to predict α-farnesene and conjugated trienol content in apples during storage

Abstract The synthesis of α-farnesene and its degradation to the corresponding oxidation products such as conjugated trienols (CTols) in apple skins is strongly correlated with the incidence of superficial scald, a physiological disorder occurring in apple during and after storage. This study aimed to evaluate the potential of near-infrared spectroscopy (NIRS) for the prediction of α-farnesene and CTols (CT258 and CT281) content, developing a rapid and non-invasive method to support the postharvest decision systems. Applying partial least squares (PLS) regression, positive correlations were found for α-farnesene and CTols obtaining correlation coefficients of calibration ( r cal ) above 0.90. The calibration model for one apple variety was validated with apples from a second season resulting in correlation coefficients of validation ( r val ) of 0.51, 0.71 and 0.76 for α-farnesene, CT258 and CT281, respectively. A global calibration model including two cultivars and two growing seasons led to standard errors of prediction (SEP) of 139, 60 and 59 μmol m −2 for α-farnesene, CT258 and CT281, respectively. These results demonstrate the potential of NIRS for rapid and non-destructive prediction of the scald-disorder-related compounds α-farnesene and CTols in apple fruit.

[1]  N. Sinelli,et al.  NIR spectroscopy for the optimization of postharvest apple management , 2014 .

[2]  T. Märk,et al.  Discrimination of four different postharvest treatments of ‘Red Delicious’ apples based on their volatile organic compound (VOC) emissions during shelf-life measured by proton transfer reaction mass spectrometry (PTR-MS) , 2013 .

[3]  Inmaculada Recasens,et al.  Changes in aroma quality of ‘Golden Delicious’ apples after storage at different oxygen and carbon dioxide concentrations , 2000 .

[4]  C. J. Clark,et al.  Detection of Brownheart in 'Braeburn' apple by transmission NIR spectroscopy , 2003 .

[5]  Y. Gong,et al.  Inhibitory effect of diazocyclopentadiene on the development of superficial scald in Granny Smith apple , 1998, Plant Growth Regulation.

[6]  E. Lougheed,et al.  Preharvest factors that predispose apples to superficial scald , 1994 .

[7]  Franco Biasioli,et al.  Direct-injection mass spectrometry adds the time dimension to (B)VOC analysis , 2011 .

[8]  M. Schmutzler,et al.  Near Infrared Spectroscopy as a Tool for Quality Control of Food of the Alpine Region—A Short Report about a Cross-Border Project , 2012 .

[9]  G. Paliyath,et al.  Sesquiterpene α-Farnesene Synthase: Partial Purification, Characterization, and Activity in Relation to Superficial Scald Development in Apples , 2000 .

[10]  S. Blankenship,et al.  1-Methylcyclopropene Inhibits Apple Ripening , 1999 .

[11]  J. A. Spicer,et al.  Identification of Conjugated Triene Oxidation Products of .alpha.-Farnesene in Apple Skin , 1995 .

[12]  R. Barnes,et al.  Standard Normal Variate Transformation and De-Trending of Near-Infrared Diffuse Reflectance Spectra , 1989 .

[13]  J. Dole,et al.  1-Methylcyclopropene: a review , 2003 .

[14]  A. Savitzky,et al.  Smoothing and Differentiation of Data by Simplified Least Squares Procedures. , 1964 .

[15]  M. El-Nady,et al.  Physiological and anatomical comparison between four different apple cultivars under cold-storage conditions , 2009 .

[16]  F. Biasioli,et al.  Target metabolite and gene transcription profiling during the development of superficial scald in apple (Malus x domestica Borkh) , 2014, BMC Plant Biology.

[17]  J. G. Bordonaba,et al.  Dynamic changes in conjugated trienols during storage may be employed to predict superficial scald in ‘Granny Smith’ apples , 2013 .

[18]  F. Biasioli,et al.  Detection of α-Farnesene and 6-Methyl-5-hepten-2-one involved in the development of apple superficial scald by PTR-ToF-MS , 2015 .

[19]  D. Harrison,et al.  Quantification of α-Farnesene and Its Conjugated Trienol Oxidation Products from Apple Peel by C18-HPLC with UV Detection , 1997 .

[20]  Tormod Næs,et al.  A user-friendly guide to multivariate calibration and classification , 2002 .

[21]  Christian W. Huck,et al.  Analysis of caffeine, theobromine and theophylline in coffee by near infrared spectroscopy (NIRS) compared to high-performance liquid chromatography (HPLC) coupled to mass spectrometry , 2005 .

[22]  Robert K. Prange,et al.  Oxygen Concentration Affects Chlorophyll Fluorescence in Chlorophyll-containing Fruit and Vegetables , 2003 .

[23]  A. Peirs,et al.  Nondestructive measurement of fruit and vegetable quality by means of NIR spectroscopy: A review , 2007 .

[24]  E. Anet.  Superficial scald, a functional disorder of stored apples. IX. Effect of maturity and ventilation , 1972 .

[25]  K. Murray,et al.  α-Farnesene in the Natural Coating of Apples , 1966, Nature.

[26]  A. Peirs,et al.  Light penetration properties of NIR radiation in fruit with respect to non-destructive quality assessment , 2000 .

[27]  Bruce D. Whitaker,et al.  Cloning and functional expression of an (E,E)-α-farnesene synthase cDNA from peel tissue of apple fruit , 2004, Planta.

[28]  Margarita Ruiz-Altisent,et al.  Review: Sensors for product characterization and quality of specialty crops-A review , 2010 .

[29]  C. Watkins,et al.  Superficial scald control after delayed treatment of apple fruit with diphenylamine (DPA) and 1-methylcyclopropene (1-MCP) , 2008 .

[30]  C. Huck,et al.  Near infrared spectroscopy, cluster and multivariate analysis - contributions to wine analysis , 2006 .

[31]  Robert G. Dambergs,et al.  Analysis of Grapes and Wine by near Infrared Spectroscopy , 2006 .

[32]  M. Knee,et al.  Benefits of ethylene removal during apple storage , 1981 .

[33]  T. Panagopoulos,et al.  Effect of harvest date and 1-MCP (SmartFresh™) treatment on ‘Golden Delicious’ apple cold storage physiological disorders , 2015 .

[34]  F. Huelin,et al.  Superficial scald, a functional disorder of stored apples VII.—effect of applied α-farnesene, temperature and diphenylamine on scald and the concentration and oxidation of α-farnesene in the fruit† , 1970 .

[35]  Jerry Workman,et al.  Practical guide to interpretive near-infrared spectroscopy , 2007 .

[36]  B. Whitaker.  Oxidation products of alpha-farnesene associated with superficial scald development in d'Anjou pear fruits are conjugated trienols. , 2007, Journal of agricultural and food chemistry.

[37]  G. Lobos,et al.  Effect of DPA [Diphenylamine] and 1-MCP [1-methylcyclopropene] on chemical compounds related to superficial scald of Granny Smith apples , 2010 .

[38]  Christopher B. Watkins,et al.  Superficial scald, its etiology and control , 2012 .

[39]  C. Huck,et al.  Comparative analysis of naphthodianthrone and phloroglucine derivatives in St. John's Wort extracts by near infrared spectroscopy, high-performance liquid chromatography and capillary electrophoresis. , 2006, Analytica chimica acta.

[40]  J. DeEll,et al.  Influence of temperature and duration of 1-methylcyclopropene (1-MCP) treatment on apple quality , 2002 .

[41]  M. Hunt,et al.  Conjugated triene oxidation products of alpha-farnesene induce symptoms of superficial scald on stored apples. , 2001, Journal of agricultural and food chemistry.

[42]  Angelo Zanella,et al.  Impact of innovative controlled atmosphere storage technologies and postharvest treatments on volatile compound production in cv. Pinova apples. , 2009, Journal of agricultural and food chemistry.

[43]  Wouter Saeys,et al.  Potential for Onsite and Online Analysis of Pig Manure using Visible and Near Infrared Reflectance Spectroscopy , 2005 .

[44]  R. Sanderson,et al.  The Link between Multiplicative Scatter Correction (MSC) and Standard Normal Variate (SNV) Transformations of NIR Spectra , 1994 .

[45]  D. Almeida,et al.  α-Farnesene, conjugated trienols, and superficial scald in ‘Rocha’ pear as affected by 1-methylcyclopropene and diphenylamine , 2006 .