Mixture analysis by NMR as applied to fruit juice quality control

Abstract

Nuclear magnetic resonance (NMR) spectroscopy is rapidly gaining importance in mixture analysis, originally driven by the pharmaceutical and nowadays also by clinical applications within metabonomics. Quality control of food-related material has very similar requirements, as it also deals with mixtures, and many of the compounds found in body fluids are analyzed as well. NMR allows analysis in two ways within one experiment: namely, targeted and untargeted. Targeted stands for the safe identification and consequent quantification of individual compounds, whereas untargeted means the detection of all deviations visible by NMR using statistical analysis based on normality models. Very important is the stability and reproducibility of the NMR instrumentation used, and this means inherent minimized system internal variance. NMR is especially suited for such requirements, as it allows detection of the smallest concentration changes of many metabolites simultaneously. High-throughput flow-injection NMR as the basis for fruit juice screening allows low cost per sample and delivers substantially more relevant information than any other method and is probably the only method to produce such results.

Traceability of Italian garlic (Allium sativum L.) by means of HRMAS-NMR spectroscopy and multivariate data analysis

“…NMR spectroscopy has been extensively used in the metabolomics approach applied to several foodstuff, (Cevallos-Cevallos, Reyes-De-Corcuera, Etxeberria, Danyluk, & Rodrick, 2009) mainly due to the ability of offering a wide range of information on metabolites within a single experiment. The metabolic profiles of fruits and vegetables, tomato, (Sobolev, Segre, & Lamanna, 2003) lettuce leave, (Sobolev, Brosio, Gianferri, & Segre, 2005) mango, (Duarte, Goodfellow, Gil, & Delgadillo, 2005) juices (Spraul et al, 2009) and grape berries (Son, Hwang, Park, Hong, & Lee, 2009) have been reported.…”

A NMR-based, non-targeted multistep metabolic profiling revealed l-rhamnitol as a metabolite that characterised apples from different geographic origins

“…& Rudell, 2012; Lee, Rudell, Davies, & Watkins, 2012), liquid chromatography/mass spectrometry (LC/MS) (Guo, Yue, Yuan, & Wang, 2013;Kristensen, Engelsen, & Dragsted, 2012;Lee, Mattheis, et al, 2012), and nuclear magnetic resonance (NMR) spectroscopy (Belton et al, 1998;del Campo, Santos, Berregi, & Munduate, 2005;del Campo, Santos, Iturriza, Berregi, & Munduate, 2006;Vandendriessche et al, 2013;Vermathen, Marzorati, Baumgartner, Good, & Vermathen, 2011) have been carried out. Despite its low sensitivity, NMR-based metabolomics has several advantages, including its rapidity, reproducibility, that it is nondestructive, and that it can be used for high-throughput characterisation (Spraul et al, 2009). The greatest advantage of NMR is that it provides structural information regarding metabolites when identification by publicly available databases is not possible (Fan & Lane, 2008).…”

HRMAS-NMR spectroscopy and multivariate analysis meat characterisation

“…The latter was employed for determining the metabolic pattern of a large number of foods, predominantly fruits and vegetables. Tomato (Le Gall, Colquhoun, Davis, Collins, & Verhoeyen, 2003), lettuce (Sobolev, Brosio, Gianferri, & Segre, 2005), mango (Duarte, Goodfellow, Gil, & Delgadillo, 2005), juices (Spraul et al, 2009), and grape berries (Son et al, 2008) are examples. On the contrary, meat systems have been poorly investigated by NMR, most likely because of complicated and time demanding extraction and purification procedures.…”