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Vibrational spectroscopic image analysis of biological material using multivariate curve resolution-alternating least squares (MCR-ALS)

Felten, Judith ; Hall, Hardy ; Jaumot, Joaquim ; Tauler, Romà ; de Juan, Anna ; Gorzsás, András

Nature protocols, 2015-02, Vol.10 (2), p.217-240 [Periódico revisado por pares]

England: Nature Publishing Group

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Título:
Vibrational spectroscopic image analysis of biological material using multivariate curve resolution-alternating least squares (MCR-ALS)
Autor: Felten, Judith ; Hall, Hardy ; Jaumot, Joaquim ; Tauler, Romà ; de Juan, Anna ; Gorzsás, András
Assuntos: Algorithms ; Animals ; Anàlisi multivariable ; Biochemistry and Molecular Biology ; Biokemi och molekylärbiologi ; Biological materials ; Biomedical materials ; Chemical composition ; Chemical compounds ; Chemical properties ; Chemical research ; Cluster analysis ; Clustering ; Composition ; Data analysis ; Data processing ; Electronic data processing ; Espectroscòpia d'infraroigs per transformada de Fourier ; Espectroscòpia Raman ; Fourier analysis ; Fourier transform infrared spectroscopy ; Fourier transforms ; Gene mapping ; Genetic analysis ; Genetic factors ; Graphical user interface ; Image analysis ; Image processing ; Image Processing, Computer-Assisted - methods ; Image segmentation ; Infrared imagery ; Innovations ; Islets of Langerhans - chemistry ; Least squares ; Least-Squares Analysis ; Mathematical research ; Methods ; Mice, Inbred C57BL ; Microspectroscopy ; Multivariate Analysis ; Pixels ; Populus - chemistry ; Principal components analysis ; Processament d'imatges ; Raman spectroscopy ; Segmentation ; Spectra ; Spectroscopy, Fourier Transform Infrared ; Spectrum analysis ; Spectrum Analysis, Raman ; User-Computer Interface ; Vector quantization ; Xylem - chemistry
É parte de: Nature protocols, 2015-02, Vol.10 (2), p.217-240
Notas: ObjectType-Article-1
SourceType-Scholarly Journals-1
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Descrição: Raman and Fourier transform IR (FTIR) microspectroscopic images of biological material (tissue sections) contain detailed information about their chemical composition. The challenge lies in identifying changes in chemical composition, as well as locating and assigning these changes to different conditions (pathology, anatomy, environmental or genetic factors). Multivariate data analysis techniques are ideal for decrypting such information from the data. This protocol provides a user-friendly pipeline and graphical user interface (GUI) for data pre-processing and unmixing of pixel spectra into their contributing pure components by multivariate curve resolution-alternating least squares (MCR-ALS) analysis. The analysis considers the full spectral profile in order to identify the chemical compounds and to visualize their distribution across the sample to categorize chemically distinct areas. Results are rapidly achieved (usually <30-60 min per image), and they are easy to interpret and evaluate both in terms of chemistry and biology, making the method generally more powerful than principal component analysis (PCA) or heat maps of single-band intensities. In addition, chemical and biological evaluation of the results by means of reference matching and segmentation maps (based on k-means clustering) is possible.
Editor: England: Nature Publishing Group
Idioma: Inglês

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Vibrational spectroscopic image analysis of biological material using multivariate curve resolution-alternating least squares (MCR-ALS)

Felten, Judith ; Hall, Hardy ; Jaumot, Joaquim ; Tauler, Romà ; de Juan, Anna ; Gorzsás, András

England: Nature Publishing Group

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