A Data-Driven Approach to Link GC-MS and LC-MS with Sensory Attributes of Chicken Bouillon with Added Yeast-Derived Flavor Products in a Combined Prediction Model.

IF 3.4 3区 生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY
Metabolites Pub Date : 2025-05-08 DOI:10.3390/metabo15050317
Simon Leygeber, Carmen Diez-Simon, Justus L Großmann, Anne-Charlotte Dubbelman, Amy C Harms, Johan A Westerhuis, Doris M Jacobs, Peter W Lindenburg, Margriet M W B Hendriks, Brenda C H Ammerlaan, Marco A van den Berg, Rudi van Doorn, Roland Mumm, Age K Smilde, Robert D Hall, Thomas Hankemeier
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引用次数: 0

Abstract

Background: There is a continuous demand to create new, superior sensory food experiences. In the food industry, yeast-derived flavor products (YPs) are often used as ingredients in foods to create new aromas and taste qualities that are appreciated by consumers.

Methods: Chicken bouillon samples containing diverse YPs were chemically and sensorially characterized using statistical multivariate analyses. The sensory evaluation was performed using quantitative descriptive analysis (QDA) by trained panelists. Thirty-four sensory attributes were scored, including odor, flavor, mouthfeel, aftertaste and afterfeel. Untargeted metabolomic profiles were obtained using stir bar sorptive extraction (SBSE) coupled to GC-MS, RPLC-MS and targeted HILIC-MS.

Results: In total, 261 volatiles were detected using GC-MS, from chemical groups of predominantly aldehydes, esters, pyrazines and ketones. Random Forest (RF) modeling revealed volatiles associated with roast odor (2-ethyl-5-methyl pyrazine, 2,3,5-trimethyl-6-isopentyl pyrazine) and chicken odor (2,4-nonadienal, 2,4-decadienal, 2-acetyl furan), which could be predicted by our combined model with R2 > 0.5. In total, 2305 non-volatiles were detected for RPLC-MS and 34 for targeted HILIC-MS, where fructose-isoleucine and cyclo-leucine-proline were found to correlate with roast flavor and odor. Furthermore, a list of metabolites (glutamate, monophosphates, methionyl-leucine) was linked to umami-related flavor. This study describes a straightforward data-driven approach for studying foods with added YPs to identify flavor-impacting correlations between molecular composition and sensory perception. It also highlights limitations and preconditions for good prediction models. Overall, this study emphasizes a matrix-based approach for the prediction of food taste, which can be used to analyze foods for targeted flavor design or quality control.

用数据驱动的方法将GC-MS和LC-MS与添加酵母衍生风味产品的鸡汤感官属性联系起来
背景:不断有需求创造新的、优越的感官食物体验。在食品工业中,酵母衍生的风味产品(YPs)经常被用作食品中的成分,以创造消费者喜欢的新香气和口味品质。方法:采用统计学多变量分析方法,对含有不同YPs的鸡肉清汤样品进行化学和感官表征。感官评估由训练有素的小组成员使用定量描述性分析(QDA)进行。对34种感官属性进行评分,包括气味、味道、口感、回味和余味。使用搅拌棒吸附萃取(SBSE)结合GC-MS、RPLC-MS和靶向HILIC-MS获得非靶向代谢组学谱。结果:GC-MS共检测到261种挥发物,主要来自醛类、酯类、吡嗪类和酮类。随机森林(Random Forest, RF)模型显示了与烤肉气味(2-乙基-5-甲基吡嗪,2,3,5-三甲基-6-异戊基吡嗪)和鸡肉气味(2,4-非二烯醛,2,4-十烯醛,2-乙酰基呋喃)相关的挥发物,可以用R2 >.5的组合模型预测。通过hplc - ms和靶向HILIC-MS分别检测到2305种和34种非挥发物,发现果糖异亮氨酸和环亮氨酸-脯氨酸与烘焙风味和气味相关。此外,一系列代谢物(谷氨酸、单磷酸盐、蛋氨酸)与鲜味有关。本研究描述了一种直接的数据驱动方法,用于研究添加YPs的食品,以确定分子组成和感官知觉之间影响风味的相关性。它还强调了良好预测模型的局限性和先决条件。总体而言,本研究强调基于矩阵的食物味道预测方法,可用于分析食品,进行有针对性的风味设计或质量控制。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Metabolites
Metabolites Biochemistry, Genetics and Molecular Biology-Molecular Biology
CiteScore
5.70
自引率
7.30%
发文量
1070
审稿时长
17.17 days
期刊介绍: Metabolites (ISSN 2218-1989) is an international, peer-reviewed open access journal of metabolism and metabolomics. Metabolites publishes original research articles and review articles in all molecular aspects of metabolism relevant to the fields of metabolomics, metabolic biochemistry, computational and systems biology, biotechnology and medicine, with a particular focus on the biological roles of metabolites and small molecule biomarkers. Metabolites encourages scientists to publish their experimental and theoretical results in as much detail as possible. Therefore, there is no restriction on article length. Sufficient experimental details must be provided to enable the results to be accurately reproduced. Electronic material representing additional figures, materials and methods explanation, or supporting results and evidence can be submitted with the main manuscript as supplementary material.
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