DeepION:一种基于深度学习的离子图像低维表示模型,用于质谱成像
Lei Guo1, Chengyi Xie2,3, Rui Miao4
1Interdisciplinary Institute of Medical Engineering, Fuzhou University, Fuzhou 350108, China.
Analytical chemistry
|February 20, 2024
概括
DeepION是一种新的深度学习方法,有效地表示用于质谱成像 (MSI) 的离子图像. 这种技术有助于识别同位素和同位素离子,这对于生物标志物发现和药物开发至关重要.
科学领域:
- 生物医学成像学 生物医学成像学
- 计算生物学是一种计算生物学.
- 分析化学是一种分析化学.
背景情况:
- 质谱成像 (MSI) 能够在生物样本中高通量,现场检测离子.
- 离子图像表示对于分析光谱和空间数据至关重要,但由于信号噪声比率低和注释数据集有限,存在挑战.
- 有效的离子图像表示对于识别同位素和同位素离子至关重要.
研究的目的:
- 开发一种基于深度学习的新方法,DeepION,用于MSI中有效的离子图像表示.
- 应用DeepION用于对色离子和同位素离子的识别.
- 为了证明DeepION在MSI数据分析中优于现有方法的优势.
主要方法:
- DeepION利用对比式学习进行自我监督的离子图像表示,消除了手动注释的需要.
- 开发了一个独特的数据增强策略,考虑MSI数据特征,如Poisson分布和缺失值.
- 该模型使用从老鼠大脑组织MSI数据中生成的增强离子图像对进行训练.
主要成果:
- 与其他方法相比,DeepION在识别同色离子和同位素离子方面取得了卓越的性能.
- 实验结果验证了DeepION对离子图像表示的有效性.
- 该研究强调了DeepION在推进MSI应用中的潜力.
结论:
- DeepION为MSI中的离子图像表示提供了有效的解决方案,解决了低信号对噪声和数据稀缺的挑战.
- 自主监督的对比学习方法与定制的数据增强是DeepION成功的关键.
- DeepION是使用MSI技术进行生物标志物发现和药物开发的有希望的工具.
相关概念视频
01:15High-Resolution Mass Spectrometry (HRMS)
1.4K
The resolution of a mass spectrometer depends on the efficiency of separating ions with different ion masses. The mass of an atom is approximated to the sum of the masses of protons and neutrons inside, considering the masses of protons and neutrons as equal. However, the masses of the proton (1.6726 × 10−24 g) and neutron (1.6749 × 10−24 g) are not truly equal. There is a minor error in the expression of atomic masses relative to the simplest atom of hydrogen. For...
1.4K
01:12Electrospray Ionization (ESI) Mass Spectrometry
829
Higher molecular weight biomolecules are nonvolatile compounds that may decompose before ionizing or vaporizing during mass analysis with conventional electron impact ionization methods. Accordingly, electrospray ionization (ESI) is the favored method for vaporizing and ionizing biomolecules as it circumvents rapid fragmentation and enables the recording of mass signals for the entire biomolecule.
ESI utilizes electrical energy to transfer ions from the liquid phase of the sample into the...
ESI utilizes electrical energy to transfer ions from the liquid phase of the sample into the...
829
01:19Mass Spectrometry: Overview
5.2K
Mass spectrometry is an analytical technique used to determine the molecular mass and molecular formula of a compound. The basic principle of mass spectrometry is to generate ions from the analyte molecule and measure these ion abundances against their molecular mass. One common type of ionization, known as electrospray ionization or EI, bombards the analyte molecules in the gas phase with high-energy electron beams. The electron beams displace an electron from the molecule and leave...
5.2K
01:16Mass Spectrometers
5.5K
This lesson details the instrumentation of a mass spectrometer—a physical instrument to perform mass spectrometry on analyte molecules and record the characteristic mass spectra. This is achieved via three chief functions:
5.5K
01:24Mass Spectrum: Interpretation
1.2K
An unknown compound can be established by identifying the molecular ion peak in the mass spectrum. The molecular ion peak is often weak or absent due to the predominance of fragmentation in high-energy electron beams. In such cases, a low-energy electron beam can be used to scan the spectrum to enhance the intensity of the molecular ion peak. Additionally, chemical ionization, field ionization, and desorption ionization spectra are used to obtain a relatively intense molecular ion peak.
To...
To...
1.2K
01:21Chemical Ionization (CI) Mass Spectrometry
749
The molecular ion peak of a molecule in the mass spectrum provides vital information for molecular identification. However, conventional electron impact ionization can lead to the rapid dissociation of some molecular ions before they reach the detector. A milder ionization method is required to increase the lifetime of such ionized analyte molecules. Chemical ionization (CI) is a gas-phase protonation reaction useful for mass-analyzing analyte molecules that are easily protonated to yield the...
749