Title: Image-based chemical structure determination
Language: English
Authors: Ofner, Johannes 
Brenner, Florian 
Wieland, Karin
Eitenberger, Elisabeth 
Kirschner, Johannes 
Eisenmenger-Sittner, Christoph
Török, Szilvia
Döme, Balazs
Konegger, Thomas 
Kasper-Giebl, Anne 
Hutter, Herbert
Friedbacher, Gernot
Lendl, Bernhard  
Lohninger, Hans 
Keywords: Atmospheric chemistry; Bioanalytical chemistry; Imaging studies; Surface spectroscopy
Issue Date: 2017
Journal: Scientific Reports
Chemical imaging is a powerful tool for understanding the chemical composition and nature of heterogeneous samples. Recent developments in elemental, vibrational, and mass-spectrometric chemical imaging with high spatial resolution (50–200 nm) and reasonable timescale (a few hours) are capable of providing complementary chemical information about various samples. However, a single technique is insufficient to provide a comprehensive understanding of chemically complex materials. For bulk samples, the combination of different analytical methods and the application of statistical methods for extracting correlated information across different techniques is a well-established and powerful concept. However, combined multivariate analytics of chemical images obtained via different imaging techniques is still in its infancy, hampered by a lack of analytical methodologies for data fusion and analysis. This study demonstrates the application of multivariate statistics to chemical images taken from the same sample via various methods to assist in chemical structure determination.
DOI: 10.1038/s41598-017-07041-x
Library ID: AC11363015
URN: urn:nbn:at:at-ubtuw:3-3103
ISSN: 2045-2322
Organisation: E164 - Institut für Chemische Technologien und Analytik 
License URI: https://creativecommons.org/licenses/by/4.0/
Publication Type: Article
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