Information from complexity: Challenges of TOF-SIMS data interpretation

Citation

Graham, D. J.; Wagner, M. S.; & Castner, D. G. (2006). Information from complexity: Challenges of TOF-SIMS data interpretation. Applied Surface Science, 252(19), 6860-6868.

Abstract

Time-of-flight secondary ion mass spectrometry (TOF-SIMS) data are complex, even for the simplest systems. Yet it is within this complexity that information about sample composition, molecular orientation, surface order, chemical bonding, sample purity, etc., is contained. The challenge is how to easily extract this information from the spectra and images. Multivariate analysis (MVA) has shown promise in taming the complexity challenges presented by TOF-SIMS data while using all the information in the entire spectrum. The recent success of MVA methods such as principal component analysis (PCA) and partial least squares (PLS) in the spectroscopic and imaging analysis of organic and biological materials has led to a great increase in the interest of MVA processing of TOF-SIMS data. However, there is still a need to better understand what data to use to answer a given question, how to optimally process the data before applying MVA, and how to correctly interpret the MVA results. The challenges of TOF-SIMS data interpretation will only get more complex, especially for biological samples, further increasing the need for well-controlled MVA methodologies. (c) 2006 Elsevier B.V. All rights reserved.

Keyword(s)

adsorbed protein films
adsorbed proteins
analysis pca
electron-spectroscopy
ion mass-spectrometry
least-squares regression
multivariate analysis
multivariate statistical-analysis
pattern-recognition
plasma-deposited films
principal component analysis
self-assembled monolayers
surface characterization
tof-sims

Notes

Sp. Iss. SI
085ND
Times Cited:52
Cited References Count:60

Reference Type

Journal Article

Secondary Title

Applied Surface Science

Author(s)

Graham, D. J.
Wagner, M. S.
Castner, D. G.

Year Published

2006

Date Published

1753833600

Volume Number

252

Issue Number

19

Pages

6860-6868

DOI

DOI 10.1016/j.apsusc.2006.02.149