通过激发发射矩阵加上t-SNE维度减小对大豆化学特征的分类
Yoshito Saito1, Kenta Itakura2, Norikuni Ohtake1
1Institute of Science and Technology, Niigata University, 8050 2-no-cho, Ikarashi, Nishi-ku, Niigata 950-2181, Japan.
概括
本研究引入了一种新方法,用于快速选大豆化学成分,使用激发发射矩阵 (EEM) 和t分布式静态邻居嵌入 (t-SNE). 在没有校准曲线的情况下,这种方法可以达到90%以上的准确性,用于原始蛋白质,油和异黄含量.
科学领域:
- 农业科学 农业科学
- 分析化学 分析化学
- 生物技术是生物技术.
背景情况:
- 测量大豆化学成分的传统方法耗时,需要校准.
- 近红外传感器通常需要校准曲线来进行准确的分析.
- 开发快速,无校准的选方法对于有效的大豆分析至关重要.
研究的目的:
- 开发和评估一种新的,无校准的方法来选大豆的化学成分.
- 评估将激发发射矩阵 (EEM) 数据与尺寸缩小技术相结合的有效性.
- 为了比较主要成分分析 (PCA) 和t分布式静态邻居嵌入 (t-SNE) 的性能,用于大豆分析.
主要方法:
- 收集了34个大豆样本的激发发射矩阵 (EEM) 数据.
- 使用化学分析量化原蛋白,原油和异黄含量.
- 应用主要组件分析 (PCA) 和t分布式静态邻近嵌入 (t-SNE) 来减少EEM数据的维度.
- 在缩小维度数据上开发了机器学习分类模型,以区分高和低化学成分水平.
主要成果:
- 使用t-SNE和PCA的尺寸缩小将EEM数据转化为2D图片进行分类.
- 在t-SNE图表上构建的机器学习模型实现了对所有测试的化学成分的分类准确度超过90%.
- 与PCA (使用PC1和PC2) 相比,t-SNE在大豆化学选中表现出更高的分类准确性.
结论:
- EEM和t-SNE的组合提供了一种有希望的,无校准的方法,用于快速选大豆.
- 这种技术显示出对大豆关键成分,特别是异黄的准确和有效分析的巨大潜力.
- 开发的方法简化了大豆质量评估,减少了劳动力和时间.
相关概念视频
01:15NMR Spectroscopy: Chemical Shift Overview
1.5K
The position of the absorption signal of a sample is reported relative to the position of the signal of tetramethylsilane (TMS), which is added as an internal reference while recording spectra. The difference between the absorption frequencies of the sample and TMS (in Hz) is divided by the spectrometer operating frequency (in MHz) to obtain a dimensionless quantity called the chemical shift. It is reported on the δ (delta) scale and expressed in parts per million.
For instance, the proton...
For instance, the proton...
1.5K
01:12Two-Dimensional (2D) NMR: Overview
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The 1D NMR spectrum of large and complex molecules like natural products has complicated splitting patterns and overlapping signals, which can be easily interpreted using 2-dimensional (2D) NMR. Unlike 1D NMR, 2D NMR has two frequency axes that provide the coupling information between the nucleus A and nucleus B in a molecule. The process from which 2D spectra are obtained has four steps.
The first step is the preparation period, during which nucleus A is excited with a radiofrequency pulse....
The first step is the preparation period, during which nucleus A is excited with a radiofrequency pulse....
640
01:20¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)
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When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...
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01:162D NMR: Overview of Homonuclear Correlation Techniques
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Homonuclear correlation spectroscopy (COSY) is a powerful technique used in Nuclear Magnetic Resonance (NMR) spectroscopy to study the correlations between nuclei of the same type within a molecule. It provides information about scalar couplings between adjacent nuclei, which helps determine connectivity and structural information. There are several COSY variants, each with its unique strengths and experimental parameters.
COSY90 is the standard two-dimensional (2D) COSY experiment that...
COSY90 is the standard two-dimensional (2D) COSY experiment that...
184
01:192D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)
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Heteronuclear single-quantum correlation spectroscopy (HSQC) is a 2D NMR technique that reveals one-bond correlations between hydrogen and a heteronucleus. The HSQC experiment is similar to the heteronuclear correlation experiment (HETCOR) but is more sensitive. In the HSQC spectrum, the proton chemical shift is plotted on the horizontal F2 axis, while the 13C chemical shift is plotted on the vertical F1 axis. The corresponding proton and 13C spectra are also shown. The HSQC contour plot does...
681