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相关概念视频

2D NMR: Homonuclear Correlation Spectroscopy (COSY)01:06

2D NMR: Homonuclear Correlation Spectroscopy (COSY)

967
Homonuclear correlation spectroscopy, or COSY, is a 2-dimensional NMR technique that provides information about coupled protons. Typically, the geminal and vicinal coupling are observed. For example, consider the COSY spectrum of ethyl acetate, where its 1D proton NMR spectrum is plotted along the vertical and horizontal axes with their corresponding chemical shift scale. Three spots on the diagonal corresponding to the three peaks in the 1D proton spectrum are called diagonal peaks. The COSY...
967
2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)01:19

2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)

647
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...
647
2D NMR: Overview of Homonuclear Correlation Techniques01:16

2D NMR: Overview of Homonuclear Correlation Techniques

173
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...
173
2D NMR: Overview of Heteronuclear Correlation Techniques01:18

2D NMR: Overview of Heteronuclear Correlation Techniques

159
Heteronuclear correlation spectroscopy is an analytical technique that investigates the coupling between different types of nuclei, often a proton and an X-nucleus, such as carbon-13 or nitrogen-15. This method is commonly used in nuclear magnetic resonance (NMR) spectroscopy to gain insights into complex chemical compounds' structural and compositional aspects. A typical heteronuclear correlation spectrum displays X-nucleus chemical shifts on one axis and a proton spectrum on the other...
159
Two-Dimensional (2D) NMR: Overview01:12

Two-Dimensional (2D) NMR: Overview

626
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....
626
IR Frequency Region: Fingerprint Region01:03

IR Frequency Region: Fingerprint Region

773
IR spectra are divided into two main regions: the diagnostic region and the fingerprint region. The diagnostic region of the spectrum lies above 1500 cm−1. The absorptions resulting from single-bond vibrations of the N–H, C–H, and O–H stretch at higher wavenumbers and appear on the left side of the spectrum. The stretching absorptions of the C≡C and C≡N occur between 2100–2300 cm−1. In contrast, those arising from stretching absorptions of the...
773

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相关实验视频

Updated: Jun 9, 2025

Untargeted Liquid Chromatography-Mass Spectrometry-Based Metabolomics Analysis of Wheat Grain
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Untargeted Liquid Chromatography-Mass Spectrometry-Based Metabolomics Analysis of Wheat Grain

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使用二维相关光谱和深度学习进行小麦粉歧视.

Tianrui Zhang1, Yifan Wang1, Jiansong Sun1

  • 1College of Artificial Intelligence, Nankai University, Tianjin, China.

Applied spectroscopy
|October 30, 2024
PubMed
概括

这项研究引入了一种新的深度学习方法,与二维相关谱 (2D-COS) 结合,用于高精度的小麦面粉识别. 该方法实现了100%的识别精度,超过了传统技术.

关键词:
在 2D-COS 中.在 NIR 频谱中.接近红外的光谱.深度学习是一种深度学习.标识 标识 标识 标识 标识二维相关性光谱学二维相关性光谱学

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Detection of Protein Aggregation using Fluorescence Correlation Spectroscopy
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科学领域:

  • 频谱学是一种光谱学.
  • 化学测量 化学测量 化学测量
  • 机器学习 机器学习

背景情况:

  • 深度学习正在迅速推进光谱分析.
  • 准确识别小麦面粉类型对于质量控制至关重要.

研究的目的:

  • 开发一种更有效,更准确的小麦粉识别方法,使用光谱学.
  • 将二维相关谱 (2D-COS) 与深度学习相结合.

主要方法:

  • 收集了四种小麦粉类型的316个近红外 (NIR) 光谱样本.
  • 应用了三种2D-COS技术,从1D光谱中生成948张2D-COS图像.
  • 开发了一种具有卷积注意力机制的18层残余网络,用于2D-COS图像分析.

主要成果:

  • 使用同步的2D-COS数据实现了小麦面粉识别的100%识别准确度.
  • 在深度学习架构中可视化了独特的2D-COS功能,使用t分布式随机邻居嵌入.
  • 与随机森林,梯度增强决策树和人工神经网络方法相比,表现出卓越的性能.

结论:

  • 2D-COS和深度学习的结合为小麦面粉分类提供了强大而高效的解决方案.
  • 这种方法显著提高了光谱分析在质量控制应用中的能力.
  • 强调深度学习在推进光谱技术方面的潜力.