Discrimination of skin cancer cells using Fourier transform infrared spectroscopy

被引:14
作者
Penaranda, Francisco [1 ]
Naranjo, Valery [1 ]
Lloyd, Gavin R. [2 ,5 ]
Kastl, Lena [3 ]
Kemper, Bjoern [3 ]
Schnekenburger, Jurgen [3 ]
Nallala, Jayakrupakar [4 ]
Stone, Nicholas [4 ]
机构
[1] Univ Politecn Valencia, I3B, Camino Vera S-N, E-46022 Valencia, Spain
[2] Gloucestershire Hosp NHS Fdn Trust, Biophoton Res Unit, Gloucester, England
[3] Univ Munster, Biomed Technol Ctr, Munster, Germany
[4] Univ Exeter, Sch Phys, Biomed Phys, Exeter, Devon, England
[5] Univ Birmingham, Phenome Ctr Birmingham, Sch Biosci, Birmingham, W Midlands, England
关键词
Machine learning; Multivariate analysis; Cancer diagnosis; Cytopathology; Fourier transform infrared spectroscopy; SPECTRAL CYTOPATHOLOGY; MICRO-SPECTROSCOPY; IR SPECTROSCOPY; MIE SCATTERING; LIVING CELLS; SAMPLES; CYCLE; ABNORMALITIES; COLLECTION; ARTIFACTS;
D O I
10.1016/j.compbiomed.2018.06.023
中图分类号
Q [生物科学];
学科分类号
07 ; 0710 ; 09 ;
摘要
Fourier transform infrared DO spectroscopy is a highly versatile tool for cell and tissue analysis. Modern commercial FTIR microspectroscopes allow the acquisition of good-quality hyperspectral images from cytopathological samples within relatively short times. This study aims at assessing the abilities of FTIR spectra to discriminate different types of cultured skin cell lines by different computer analysis technologies. In particular, 22700 single skin cells, belonging to two non-tumoral and two tumoral cell lines, were analysed. These cells were prepared in three different batches that included each cell type. Different spectral preprocessing and classification strategies were considered, including the current standard approaches to reduce Mie scattering artefacts. Special care was taken for the optimisation, training and evaluation of the learning models in order to avoid possible overfitting. Excellent classification performance (balanced accuracy between 0.85 and 0.95) was achieved when the algorithms were trained and tested with the cells from the same batch. When cells from different batches were used for training and testing the balanced accuracy reached values between 0.35 and 0.6, demonstrating the strong influence of sample preparation on the results and comparability of cell FTIR spectra. A deep study of the most optimistic results was performed in order to identify perturbations that influenced the final classification.
引用
收藏
页码:50 / 61
页数:12
相关论文
共 56 条
[1]  
Adams M.L., 2004, Chemometrics in Analytical Spectroscopy
[2]  
[Anonymous], 2020, Digital Image Processing using Matlab
[3]   Using Fourier transform IR spectroscopy to analyze biological materials [J].
Baker, Matthew J. ;
Trevisan, Julio ;
Bassan, Paul ;
Bhargava, Rohit ;
Butler, Holly J. ;
Dorling, Konrad M. ;
Fielden, Peter R. ;
Fogarty, Simon W. ;
Fullwood, Nigel J. ;
Heys, Kelly A. ;
Hughes, Caryn ;
Lasch, Peter ;
Martin-Hirsch, Pierre L. ;
Obinaju, Blessing ;
Sockalingum, Ganesh D. ;
Sule-Suso, Josep ;
Strong, Rebecca J. ;
Walsh, Michael J. ;
Wood, Bayden R. ;
Gardner, Peter ;
Martin, Francis L. .
NATURE PROTOCOLS, 2014, 9 (08) :1771-1791
[4]   STANDARD NORMAL VARIATE TRANSFORMATION AND DE-TRENDING OF NEAR-INFRARED DIFFUSE REFLECTANCE SPECTRA [J].
BARNES, RJ ;
DHANOA, MS ;
LISTER, SJ .
APPLIED SPECTROSCOPY, 1989, 43 (05) :772-777
[5]   FTIR microscopy of biological cells and tissue: data analysis using resonant Mie scattering (RMieS) EMSC algorithm [J].
Bassan, Paul ;
Sachdeva, Ashwin ;
Kohler, Achim ;
Hughes, Caryn ;
Henderson, Alex ;
Boyle, Jonathan ;
Shanks, Jonathan H. ;
Brown, Michael ;
Clarke, Noel W. ;
Gardner, Peter .
ANALYST, 2012, 137 (06) :1370-1377
[6]   RMieS-EMSC correction for infrared spectra of biological cells: Extension using full Mie theory and GPU computing [J].
Bassan, Paul ;
Kohler, Achim ;
Martens, Harald ;
Lee, Joe ;
Jackson, Edward ;
Lockyer, Nicholas ;
Dumas, Paul ;
Brown, Michael ;
Clarke, Noel ;
Gardner, Peter .
JOURNAL OF BIOPHOTONICS, 2010, 3 (8-9) :609-620
[7]   Resonant Mie Scattering (RMieS) correction of infrared spectra from highly scattering biological samples [J].
Bassan, Paul ;
Kohler, Achim ;
Martens, Harald ;
Lee, Joe ;
Byrne, Hugh J. ;
Dumas, Paul ;
Gazi, Ehsan ;
Brown, Michael ;
Clarke, Noel ;
Gardner, Peter .
ANALYST, 2010, 135 (02) :268-277
[8]   Resonant Mie scattering in infrared spectroscopy of biological materials - understanding the 'dispersion artefact' [J].
Bassan, Paul ;
Byrne, Hugh J. ;
Bonnier, Franck ;
Lee, Joe ;
Dumas, Paul ;
Gardner, Peter .
ANALYST, 2009, 134 (08) :1586-1593
[9]   Reflection contributions to the dispersion artefact in FTIR spectra of single biological cells [J].
Bassan, Paul ;
Byrne, Hugh J. ;
Lee, Joe ;
Bonnier, Franck ;
Clarke, Colin ;
Dumas, Paul ;
Gazi, Ehsan ;
Brown, Michael D. ;
Clarke, Noel W. ;
Gardner, Peter .
ANALYST, 2009, 134 (06) :1171-1175
[10]   Cytology by infrared micro-spectroscopy: Automatic distinction of cell types in urinary cytology [J].
Bird, Benjamin ;
Romeo, Melissa J. ;
Diem, Max ;
Bedrossian, Kristi ;
Laver, Nora ;
Naber, Stephen .
VIBRATIONAL SPECTROSCOPY, 2008, 48 (01) :101-106