Unsupervised machine learning for exploratory data analysis in imaging mass spectrometry
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 …
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
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 …
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
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 …
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
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 …
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 …
detected at high concentrations in wastewater treatment plant effluents and river waters. In …
simsMVA: A tool for multivariate analysis of ToF-SIMS datasets
Imaging mass spectrometry datasets are every year larger and more complex, with
unsupervised multivariate analysis (MVA) becoming a routine procedure for most …
unsupervised multivariate analysis (MVA) becoming a routine procedure for most …
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 …
principal component analysis (PCA) assisted time-of-flight secondary ion mass spectrometry …
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 …
physical and chemical properties at the surface of polymer blends can be drastically different …
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 …
free analysis of organics from cells to electronic devices. The development of cluster ion …
Dimensionality reduction of mass spectrometry imaging data using autoencoders
The use of mass spectrometry imaging (MSI) techniques has become a powerful tool in the
fields of biology, pharmacology and healthcare. Next generation experimental techniques …
fields of biology, pharmacology and healthcare. Next generation experimental techniques …