Increasing conclusiveness of clinical breath analysis by improved baseline correction of multi capillary column - ion mobility spectrometry (MCC-IMS) data
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- 作者：Ewa Szymańskaa ; b ; chemometrics@science.ru.nl" class="auth_mail" title="E-mail the corresponding author ; E.Szymanska@science.ru.nl" class="auth_mail" title="E-mail the corresponding author ; Gerjen H. Tinnevelta ; b ; Emma Brodrickc ; d ; Mark Williamsc ; Antony N. Daviesc ; e ; Henk-Jan van Manene ; Lutgarde M.C. Buydensb
- 关键词：COPD ; chronic obstructive pulmonary disease ; IPF ; idiopathic pulmonary fibrosis ; LOD ; limit of detection ; MCC-IMS ; multi capillary column &ndash ; ion mobility spectrometry ; PTR-MS ; proton transfer reaction-mass spectrometry ; RIP ; reactant ion peak ; SIFT-MS ; selected ion flow tube mass spectrometry ; s-PLS-DA ; sparse partial least squares &ndash ; discriminant analysis ; VOCs ; volatile organic compounds
- 刊名：Journal of Pharmaceutical and Biomedical Analysis
- 出版年：2016
- 出版时间：5 August 2016
- 年：2016
- 卷：127
- 期：Complete
- 页码：170-175
- 全文大小：910 K
文摘
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Three baseline correction methods are evaluated in the analysis of MCC-IMS data.
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Top-hat method is selected as the optimum baseline correction method.
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Top-hat method is included in the data analysis strategy for MCC-IMS datasets.
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Large dataset on a healthy and respiratory disease population is analyzed.
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MCC-IMS spectra differences associated with respiratory diseases are provided.