| Title: | Increasing conclusiveness of clinical breath analysis by improved baseline correction of multi capillary column - ion mobility spectrometry (MCC-IMS) data |
| Author(s): | Szymanska E; Tinnevelt GH; Brodrick E; Williams M; Davies AN; van Manen HJ; Buydens LM; |
| Address: | "TI-COAST, Science Park 904, 1098 XH Amsterdam, The Netherlands; Radboud University, Institute for Molecules and Materials (IMM), P.O. Box 9010, 6500 GL, Nijmegen, The Netherlands. Electronic address: chemometrics@science.ru.nl. TI-COAST, Science Park 904, 1098 XH Amsterdam, The Netherlands; Radboud University, Institute for Molecules and Materials (IMM), P.O. Box 9010, 6500 GL, Nijmegen, The Netherlands. School of Applied Sciences, Faculty of Computing, Engineering and Science, University of South Wales, Pontypridd, CF37 1DL, UK; Imspex Diagnostics, TY Menter, Navigation Park, CF45 4SN, Abercynon, UK. School of Applied Sciences, Faculty of Computing, Engineering and Science, University of South Wales, Pontypridd, CF37 1DL, UK. School of Applied Sciences, Faculty of Computing, Engineering and Science, University of South Wales, Pontypridd, CF37 1DL, UK; AkzoNobel, Supply Chain, Research & Development, Strategic Research Group-Measurement & Analytical Science, P.O. Box 10, 7400 AA, Deventer, The Netherlands. AkzoNobel, Supply Chain, Research & Development, Strategic Research Group-Measurement & Analytical Science, P.O. Box 10, 7400 AA, Deventer, The Netherlands. Radboud University, Institute for Molecules and Materials (IMM), P.O. Box 9010, 6500 GL, Nijmegen, The Netherlands" |
| DOI: | 10.1016/j.jpba.2016.01.054 |
| ISSN/ISBN: | 1873-264X (Electronic) 0731-7085 (Linking) |
| 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: | Breath Tests/instrumentation/*methods Case-Control Studies Discriminant Analysis Electronic Data Processing Humans Lung Diseases/*diagnosis *Mass Spectrometry/instrumentation/methods/standards Sensitivity and Specificity Volatile Organic Compounds/*analys; |
| Notes: | "MedlineSzymanska, Ewa Tinnevelt, Gerjen H Brodrick, Emma Williams, Mark Davies, Antony N van Manen, Henk-Jan Buydens, Lutgarde M C eng England 2016/02/18 J Pharm Biomed Anal. 2016 Aug 5; 127:170-5. doi: 10.1016/j.jpba.2016.01.054. Epub 2016 Jan 27" |
