相关实验视频

Updated: May 24, 2025

Real-time Breath Analysis by Using Secondary Nanoelectrospray Ionization Coupled to High Resolution Mass Spectrometry

Real-time Breath Analysis by Using Secondary Nanoelectrospray Ionization Coupled to High Resolution Mass Spectrometry

Published on: March 9, 2018

快速,非侵入性呼吸分析,以提高使用质谱和可解释的机器学习来检测病的检测

Merryn J Baker¹, Jeff Gordon¹, Aruvi Thiruvarudchelvan²

¹School of Chemistry, University of New South Wales, Sydney, New South Wales 2052, Australia.

Journal of breath research

|March 3, 2025

概括

现在可以通过快速,非侵入性呼吸试验来早期检测职业性肺部疾病 - - 病. 这种新方法分析挥发性有机化合物 (VOC),以改善疾病诊断和结果.

科学领域:

环境健康环境健康
分析化学分析化学
生物标志物生物标志物

背景情况:

职业肺部疾病,特别是病,由于日益增加的人工石灰暴露,造成了全球健康的重大风险.
目前用于病的诊断方法往往无法在早期发现疾病,从而妨碍及时干预.

研究的目的:

研究大气压化学电离质谱法 (APCI-MS) 的潜力,以快速,非侵入性检测病.
在呼出的呼吸中识别特定的挥发性有机化合物 (VOC),表明有氧化.
开发和验证机器学习 (ML) 模型,以根据呼吸中的VOC资料准确地分类病.

主要方法:

使用APCI-MS.对31名病患者和60名健康对照者的呼气挥发性有机化合物 (VOC) 进行分析.
应用六种可解释的机器学习 (ML) 模型,包括极端梯度增强,并使用Shapley增量解释 (SHAP) 进行分类.
识别有助于诊断准确性的关键VOC特征.

主要成果:

极端梯度增强分类器实现了高诊断性能,接收机操作员特征曲线下的面积为0.933.
可能与白血-E3相关的m/z 442特征被确定为化症的显著预测因素.
每个样本的呼吸分析和测量过程在不到五分钟内完成.

结论:

基于APCI-MS的呼吸分析为早期和非侵入性诊断病提供了一个有希望的途径.
可解释的ML模型为与症相关的生物标志物提供了宝贵的见解.
这种快速的,非侵入性的方法具有大规模人口查和改善职业肺部疾病管理的潜力.

关键词:

莎普利的添加式解释大气压力化学电离化学电离可以解释的机器学习.质谱测量质谱测量质谱测量质谱测量质量测量质谱测量质量测量质量测量质量测量质量测量质量测量质量测量质量测量质量测量质量测量质量测量质量测量质量测量质量测量质量测量质量测量质量测量质量测量质量测量质量测量职业肺部疾病是一种职业肺部疾病.在化中,有化.挥发性有机化合物挥发性有机化合物

更多相关视频

Breath Collection from Children for Disease Biomarker Discovery

Breath Collection from Children for Disease Biomarker Discovery

Published on: February 14, 2019

Fast and Accurate Exhaled Breath Ammonia Measurement

Fast and Accurate Exhaled Breath Ammonia Measurement

Published on: June 11, 2014

相关概念视频

MALDI-TOF Mass Spectrometry

MALDI-TOF Mass Spectrometry

Mass spectrometry is a powerful characterization technique that can identify and separate a wide variety of compounds ranging from chemical to biological entities, based on their mass-to-charge ratio (m/z). The instruments that allow this detection, known as mass spectrometers, have three components: an ion source, a mass analyzer, and a detector. These spectrometers differ based on the nature of their ion source and analyzers.
Matrix-assisted laser desorption ionization (MALDI) is a commonly...

Mass Spectrometry: Complex Analysis

Mass Spectrometry: Complex Analysis

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...