自动气色谱峰值对齐:使用贪优化和模拟的深度学习方法
概括
这项研究引入了一种深度学习方法,用于对准气体染色学信号,改善用于疾病检测的挥发性有机化合物 (VOC) 的分析. 这种自动化方法可以提高COVID-19等疾病的诊断准确度.
科学领域:
- 分析化学 分析化学
- 计算生物学 计算生物学
- 医学诊断 医学诊断 医学诊断
背景情况:
- 呼吸中的挥发性有机化合物 (VOC) 对疾病检测具有临床意义.
- 气相色谱 (GC) 用于测量这些VOCs.
- 染色学峰值对齐是VOC分析中的关键和具有挑战性的步骤.
研究的目的:
- 开发一种用于色谱峰值对齐的自动化方法.
- 为了克服传统的半自动调整算法的局限性 (缓慢,昂贵,不一致).
- 改进用于疾病诊断的呼吸VOC的分析.
主要方法:
- 开发了一条管道,使用模拟的人工染色图训练一个深度学习模型.
- 一个小的,注释的数据集被用于模型培训.
- 一个涉及贪优化的后处理步骤被用于信号对齐.
主要成果:
- 拟议的管道可实现自动色谱峰值对齐.
- 在模拟数据上训练的深度学习模型有效地调整信号.
- 这种自动化解决了传统方法中手动干预的挑战.
结论:
- 使用深度学习的自动化染色体分析可以显著改善基于VOC的疾病诊断.
- 这种方法有可能提高像喘,ARDS和COVID-19这样的呼吸系统疾病的管理.
- 开发的方法为手动对齐技术提供了更快,更一致的替代方案.
更多相关视频
10:14Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography
Published on: September 2, 2020
5.0K
07:34Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry UPLC-MS
Published on: March 14, 2013
12.8K
相关概念视频
Gas Chromatography–Mass Spectrometry (GC–MS)
4.3K
Gas chromatography–mass spectrometry (GC–MS) is the combination of analytical techniques of gas chromatography and mass spectrometry in a single instrument for analyzing a mixture of compounds. The gas chromatograph separates the compounds in the mixture, and the mass spectrometer analyzes each compound separately to determine the molecular masses and molecular structures.
A gas chromatograph consists of a long, narrow capillary column with a polysiloxane coating on the inner wall....
A gas chromatograph consists of a long, narrow capillary column with a polysiloxane coating on the inner wall....
4.3K
Gas Chromatography: Introduction
2.0K
Gas chromatography (GC) is a technique for separating and analyzing volatile compounds in a sample. Its primary purpose is to identify and quantify components in complex mixtures, making it essential in fields such as environmental analysis, pharmaceuticals, and petrochemicals. GC is also called vapor-phase chromatography (VPC) or gas-liquid partition chromatography (GLPC).
In GC, a sample is vaporized and mixed with an inert carrier gas (the mobile phase), which transports it through a...
In GC, a sample is vaporized and mixed with an inert carrier gas (the mobile phase), which transports it through a...
2.0K
Gas Chromatography: Overview of Detectors
559
Detectors in gas chromatography (GC) help identify and quantify the components of a mixture by translating chemical properties into measurable signals, which are displayed on a chromatogram. Detectors can be categorized into two main types: destructive and non-destructive.
A non-destructive detector allows a sample to be analyzed without altering or consuming it, meaning the sample can be collected after detection for further analysis. Examples include thermal conductivity detectors and...
A non-destructive detector allows a sample to be analyzed without altering or consuming it, meaning the sample can be collected after detection for further analysis. Examples include thermal conductivity detectors and...
559
Gas Chromatography: Types of Columns and Stationary Phases
661
Gas chromatography (GC) relies on stationary phases to separate and analyze components in a sample. There are two main types of stationary phases: liquid and solid. Liquid stationary phases are non-volatile, thermally stable, and chemically inert liquids coated onto the column. Solid stationary phases are particles of adsorbent material, such as silica gel or molecular sieves.
For an analyte to remain on the column for a sufficient amount of time, it must exhibit some level of compatibility (or...
For an analyte to remain on the column for a sufficient amount of time, it must exhibit some level of compatibility (or...
661
Gas Chromatography: Sample Injection Systems
417
In gas chromatography, the sample is introduced as a vapor plug into the carrier gas stream for high efficiency and resolution. A microsyringe injects the sample solution into a heated sample port, vaporizing it and mixing it with the carrier gas. This process is important to ensure the sample is properly prepared for analysis. Thermally sensitive samples can be injected directly into the column and volatilized by slowly increasing the column temperature.
Two primary injection methods are used...
Two primary injection methods are used...
417
Mass Spectrometry: Complex Analysis
792
Mass spectrometry is an important technique for the identification of pure compounds. However, it has some limitations for the analysis of complex mixtures, often due to excessive fragmentation making the spectrum too complicated to decipher. Mass spectrometry can be combined with suitable separation methods in sequence, forming hyphenated methods, which are useful in the analysis of complex mixtures.
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
792
