基于代谢物图谱的日本李子栽培品种的机器学习分化

IF 2.8 4区 农林科学 Q2 FOOD SCIENCE & TECHNOLOGY Food Biophysics Pub Date : 2024-08-03 DOI:10.1007/s11483-024-09870-6
Yardjouma Silue, Olaniyi A. Fawole, Taongashe Majoni, Umezuruike L. Opara, Jude A. Okolie
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引用次数: 0

摘要

本研究调查了在南非种植的 12 个日本李子栽培品种的代谢物多样性,以了解其不同的感官特征和营养特性。目的是根据这些李子栽培品种的代谢特征将其区分或联系起来。利用气相色谱-质谱法(GC-MS)对不同采后成熟阶段的代谢物进行了分析。应用了不同的无监督机器学习算法:分层聚类、K-均值聚类、基于密度的空间噪声应用和主成分分析(PCA)。结果表明,每个栽培品种都含有 13 种氨基酸、4 种糖(有助于感官特征)、多种酚类化合物和抗氧化活性(有助于营养价值)的独特组合。这些化合物的含量取决于栽培品种,并随采后阶段而变化。李子栽培品种的聚类数量随聚类算法和采后阶段的不同而变化。不过,无论采用哪种聚类方法,某些栽培品种都会被一致地归类,这表明它们具有相似的特性,并对贮藏和货架期条件具有相似的反应。冷藏和货架期后也观察到了类似的一致分组。我们的研究结果还表明,根据剪影得分和戴维斯-博尔丁指数,K-均值聚类是区分李子栽培品种的最有效模型。这项研究加深了我们对代谢物在不同采后阶段如何演变的理解,并为区分李子栽培品种提供了一个稳健的框架,有助于分类和分级操作。这项研究为改进采后处理和贮藏方法提供了可行的见解,而采后处理和贮藏方法对于保持李子的营养品质至关重要,李子是对人类健康非常重要的水果。
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Machine Learning-based Differentiation of Japanese Plum Cultivars Based on Metabolite Profiling

This study investigates the metabolite diversity of twelve Japanese plum cultivars grown in South Africa to understand their differential organoleptic characteristics and nutritional properties. The goal is to differentiate or associate these plum cultivars based on their metabolic profiles. Metabolite profiling was conducted using gas chromatography-mass spectrometry (GC-MS) at different postharvest ripening stages. Different unsupervised machine learning algorithms were applied: hierarchical clustering, K-means clustering, Density-Based Spatial Applications with Noise, and principal component analysis (PCA). Results revealed that each cultivar contains a unique combination of 13 amino acids, 4 sugars (contributing to organoleptic characteristics), and numerous phenolic compounds and antioxidant activities (contributing to nutritional value). The levels of these compounds are cultivar-dependent and vary with postharvest stages. The number of clusters of plum cultivars varied with both the clustering algorithm and postharvest stages. However, certain cultivars were consistently grouped regardless of the clustering method, indicating similar characteristics and responses to storage and shelf-life conditions. Similar consistent groupings were observed after cold storage and shelf life. Our findings also showed that K-means clustering is the most effective model for plum cultivar differentiation based on the Silhouette Score and Davies-Bouldin Index. This study enhances our understanding of how metabolites evolve over different postharvest stages and provides a robust framework for differentiating plum cultivars, which can aid in sorting and grading operations. The research offers actionable insights to improve postharvest handling and storage practices, which are critical for maintaining the nutritional quality of plums, an important fruit for human health.

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来源期刊
Food Biophysics
Food Biophysics 工程技术-食品科技
CiteScore
5.80
自引率
3.30%
发文量
58
审稿时长
1 months
期刊介绍: Biophysical studies of foods and agricultural products involve research at the interface of chemistry, biology, and engineering, as well as the new interdisciplinary areas of materials science and nanotechnology. Such studies include but are certainly not limited to research in the following areas: the structure of food molecules, biopolymers, and biomaterials on the molecular, microscopic, and mesoscopic scales; the molecular basis of structure generation and maintenance in specific foods, feeds, food processing operations, and agricultural products; the mechanisms of microbial growth, death and antimicrobial action; structure/function relationships in food and agricultural biopolymers; novel biophysical techniques (spectroscopic, microscopic, thermal, rheological, etc.) for structural and dynamical characterization of food and agricultural materials and products; the properties of amorphous biomaterials and their influence on chemical reaction rate, microbial growth, or sensory properties; and molecular mechanisms of taste and smell. A hallmark of such research is a dependence on various methods of instrumental analysis that provide information on the molecular level, on various physical and chemical theories used to understand the interrelations among biological molecules, and an attempt to relate macroscopic chemical and physical properties and biological functions to the molecular structure and microscopic organization of the biological material.
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