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Metabolites 2016, 6(4), 36; doi:10.3390/metabo6040036

FoodPro: A Web-Based Tool for Evaluating Covariance and Correlation NMR Spectra Associated with Food Processes

1
Department of Information Systems, Niigata University of International and Information Studies, 3-1-1 Mizukino, Nishi-ku, Niigata 950-2292, Japan
2
RIKEN Center for Sustainable Resource Science, 1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama 230-0045, Japan
3
Graduate School of Medical Life Science, Yokohama City University, 1-7-29 Suehiro-cho, Tsurumi-ku, Yokohama 230-0045, Japan
4
Graduate School of Bioagricultural Sciences, Nagoya University, 1 Furo-cho, Chikusa-ku, Nagoya 464-0810, Japan
5
Food Research Institute, National Agriculture and Food Research Organization (NARO), 2-1-12 Kannondai, Tsukuba 305-8642, Japan
These authors contributed equally to this work.
*
Author to whom correspondence should be addressed.
Academic Editor: Peter Meikle
Received: 25 August 2016 / Revised: 7 October 2016 / Accepted: 17 October 2016 / Published: 19 October 2016
(This article belongs to the Special Issue Challenging Biochemical Complexities by NMR)
View Full-Text   |   Download PDF [1850 KB, uploaded 19 October 2016]   |  

Abstract

Foods from agriculture and fishery products are processed using various technologies. Molecular mixture analysis during food processing has the potential to help us understand the molecular mechanisms involved, thus enabling better cooking of the analyzed foods. To date, there has been no web-based tool focusing on accumulating Nuclear Magnetic Resonance (NMR) spectra from various types of food processing. Therefore, we have developed a novel web-based tool, FoodPro, that includes a food NMR spectrum database and computes covariance and correlation spectra to tasting and hardness. As a result, FoodPro has accumulated 236 aqueous (extracted in D2O) and 131 hydrophobic (extracted in CDCl3) experimental bench-top 60-MHz NMR spectra, 1753 tastings scored by volunteers, and 139 hardness measurements recorded by a penetrometer, all placed into a core database. The database content was roughly classified into fish and vegetable groups from the viewpoint of different spectrum patterns. FoodPro can query a user food NMR spectrum, search similar NMR spectra with a specified similarity threshold, and then compute estimated tasting and hardness, covariance, and correlation spectra to tasting and hardness. Querying fish spectra exemplified specific covariance spectra to tasting and hardness, giving positive covariance for tasting at 1.31 ppm for lactate and 3.47 ppm for glucose and a positive covariance for hardness at 3.26 ppm for trimethylamine N-oxide. View Full-Text
Keywords: NMR; web tool; food NMR; web tool; food
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Chikayama, E.; Yamashina, R.; Komatsu, K.; Tsuboi, Y.; Sakata, K.; Kikuchi, J.; Sekiyama, Y. FoodPro: A Web-Based Tool for Evaluating Covariance and Correlation NMR Spectra Associated with Food Processes. Metabolites 2016, 6, 36.

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