用于GC-IMS的呼气分析数据处理方法OA
Data Processing Method for GC-IMS Exhaled Breath Analysis
针对呼气分析中气相色谱-离子迁移谱(Gas Chromatography-Ion Mobility Spectrometry,GC-IMS)谱峰重叠和实际应用场景下样本有限、需持续更新等问题,提出一种呼气分析数据处理方法.以健康志愿者饮用咖啡前后模拟不同生理状态,利用GC-IMS直接分析呼出气体,通过高斯二阶导数谱峰锐化算法解析GC-IMS呼气指纹图中的重叠峰,构建蒙德里安森林(Mondrian forest,MF)增量学习模型实现分类.结果表明,该方法成功解析了GC-IMS原始指纹图中的重叠峰,将峰值信噪比提高至50 dB;提取GC-IMS指纹图中解析出的谱峰位置及强度作为特征,构建的MF增量分类模型随着样本增加,平均分类准确率达到93.75%,显著优于对比的随机森林和Hoeffding树模型.这种呼气分析数据处理方法提高了分类的准确性,具有良好的实际应用前景.
A novel data processing method of gas chromatography-ion mobility spectrometry(GC-IMS)is proposed to address the challenges of peak overlapping in GC-IMS spectra for exhaled breath analysis and the limited and continuously updated samples in applications.Breath samples simulating different physiological states were collected from healthy volunteers before and after drinking coffee,and were ana-lyzed by GC-IMS directly.Overlapping peaks in the GC-IMS two-dimensional spectra were resolved using a Gaussian second derivative peak sharpening algorithm,and a Mondrian forest(MF)incremental learning model was constructed for classification of the two states.The results indicate that the method successfully resolves overlapping peaks in the original GC-IMS spectra,increasing the peak signal-to-noise ratio(PSNR)to 50 dB.Features such as the positions and intensities of the resolved peaks in the GC-IMS spectra are extracted to build the MF incremental learning model,which maintain a high average classification accuracy of 93.75%as samples increase,significantly outperforming comparative models like random forest and Hoeffding trees.This exhaled breath analysis data processing method enhances classifi-cation accuracy,showing promising practical application prospects.
马睿;林建华;慕世龙;徐陈;贾建;何秀丽;高晓光
中国科学院空天信息创新研究院 传感器技术全国重点实验室,北京 100190||中国科学院大学 电子电气与通信工程学院,北京 100049中国科学院空天信息创新研究院 传感器技术全国重点实验室,北京 100190||中国科学院大学 电子电气与通信工程学院,北京 100049中国科学院空天信息创新研究院 传感器技术全国重点实验室,北京 100190||中国科学院大学 电子电气与通信工程学院,北京 100049中国科学院空天信息创新研究院 传感器技术全国重点实验室,北京 100190||中国科学院大学 电子电气与通信工程学院,北京 100049中国科学院空天信息创新研究院 传感器技术全国重点实验室,北京 100190中国科学院空天信息创新研究院 传感器技术全国重点实验室,北京 100190中国科学院空天信息创新研究院 传感器技术全国重点实验室,北京 100190
信息技术与安全科学
气相色谱-离子迁移谱呼气分析重叠峰解析蒙德里安森林
gas chromatography-ion mobility spectrometryexhaled breath analysisoverlapping peaks resolutionMondrian forest
《测试技术学报》 2026 (3)
327-334,8
国家自然科学基金资助项目(62031022,61871364)
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