Increasing conclusiveness of clinical breath analysis by improved baseline correction of multi capillary column - ion mobility spectrometry (MCC-IMS) data

J Pharm Biomed Anal. 2016 Aug 5:127:170-5. doi: 10.1016/j.jpba.2016.01.054. Epub 2016 Jan 27.

Abstract

Current challenges of clinical breath analysis include large data size and non-clinically relevant variations observed in exhaled breath measurements, which should be urgently addressed with competent scientific data tools. In this study, three different baseline correction methods are evaluated within a previously developed data size reduction strategy for multi capillary column - ion mobility spectrometry (MCC-IMS) datasets. Introduced for the first time in breath data analysis, the Top-hat method is presented as the optimum baseline correction method. A refined data size reduction strategy is employed in the analysis of a large breathomic dataset on a healthy and respiratory disease population. New insights into MCC-IMS spectra differences associated with respiratory diseases are provided, demonstrating the additional value of the refined data analysis strategy in clinical breath analysis.

Keywords: Baseline correction; Breathomics; Clinical breath analysis; Data preprocessing; Multi capillary coloum – ion mobility spectrometry (MCC-IMS); Respiratory diseases.

MeSH terms

  • Breath Tests / instrumentation
  • Breath Tests / methods*
  • Case-Control Studies
  • Discriminant Analysis
  • Electronic Data Processing
  • Humans
  • Lung Diseases / diagnosis*
  • Mass Spectrometry* / instrumentation
  • Mass Spectrometry* / methods
  • Mass Spectrometry* / standards
  • Sensitivity and Specificity
  • Volatile Organic Compounds / analysis*

Substances

  • Volatile Organic Compounds