Unsupervised machine learning for exploratory data analysis in imaging mass spectrometry

N Verbeeck, RM Caprioli… - Mass spectrometry …, 2020 - Wiley Online Library
Imaging mass spectrometry (IMS) is a rapidly advancing molecular imaging modality that
can map the spatial distribution of molecules with high chemical specificity. IMS does not …

Multivariate analysis of ToF-SIMS data from multicomponent systems: the why, when, and how

DJ Graham, DG Castner - Biointerphases, 2012 - pubs.aip.org
The use of multivariate analysis (MVA) methods in the processing of time-of-flight secondary
ion mass spectrometry (ToF-SIMS) data has become increasingly more common. MVA …

Identification of lithium compounds on surfaces of lithium metal anode with machine-learning-assisted analysis of ToF-SIMS spectra

Y Zhao, SK Otto, T Lombardo, A Henss… - … Applied Materials & …, 2023 - ACS Publications
Detailed knowledge about contamination and passivation compounds on the surface of
lithium metal anodes (LMAs) is essential to enable their use in all-solid-state batteries …

A new dynamic in mass spectral imaging of single biological cells

JS Fletcher, S Rabbani, A Henderson… - Analytical …, 2008 - ACS Publications
Time-of-flight secondary ion mass spectrometry (TOF-SIMS) has unique capabilities in the
area of high-resolution mass spectrometric imaging of biological samples. The technique …

[HTML][HTML] UV-Vis absorption spectrophotometry and LC-DAD-MS-ESI (+)-ESI (−) coupled to chemometrics analysis of the monitoring of sulfamethoxazole degradation …

A Queral-Beltran, M Marín-García, S Lacorte… - Analytica chimica …, 2023 - Elsevier
Sulfamethoxazole (SMX) is one of the most widely used antibiotics worldwide and has been
detected at high concentrations in wastewater treatment plant effluents and river waters. In …

simsMVA: A tool for multivariate analysis of ToF-SIMS datasets

GF Trindade, ML Abel, JF Watts - Chemometrics and Intelligent Laboratory …, 2018 - Elsevier
Imaging mass spectrometry datasets are every year larger and more complex, with
unsupervised multivariate analysis (MVA) becoming a routine procedure for most …

SIMS of organics—Advances in 2D and 3D imaging and future outlook

IS Gilmore - Journal of Vacuum Science & Technology A, 2013 - pubs.aip.org
Secondary ion mass spectrometry (SIMS) has become a powerful technique for the label-
free analysis of organics from cells to electronic devices. The development of cluster ion …

Elucidation of lead ions adsorption mechanism on marmatite surface by PCA-assisted ToF-SIMS, XPS and zeta potential

H Lai, J Deng, S Wen, Q Liu - Minerals Engineering, 2019 - Elsevier
The species on the lead-adsorbed marmatite surface at pH 3.0, 6.5 and 11 were studied by
principal component analysis (PCA) assisted time-of-flight secondary ion mass spectrometry …

Cellular imaging with secondary ion mass spectrometry

JS Fletcher - Analyst, 2009 - pubs.rsc.org
This article is a concise review of the application of secondary ion mass spectrometry (SIMS)
to the imaging of biological cells. The paper covers the various advantages and …

Surface characterization of polymer blends by XPS and ToF-SIMS

CM Chan, LT Weng - Materials, 2016 - mdpi.com
The surface properties of polymer blends are important for many industrial applications. The
physical and chemical properties at the surface of polymer blends can be drastically different …