In Situ/Operando Electrocatalyst Characterization by X-ray Absorption Spectroscopy

J Timoshenko, B Roldan Cuenya - Chemical reviews, 2020 - ACS Publications
During the last decades, X-ray absorption spectroscopy (XAS) has become an
indispensable method for probing the structure and composition of heterogeneous catalysts …

Multivariate Curve Resolution: 50 years addressing the mixture analysis problem–A review

A de Juan, R Tauler - Analytica Chimica Acta, 2021 - Elsevier
Abstract Multivariate Curve Resolution (MCR) covers a wide span of algorithms designed to
tackle the mixture analysis problem by expressing the original data through a bilinear model …

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 …

MCR-ALS GUI 2.0: New features and applications

J Jaumot, A de Juan, R Tauler - Chemometrics and Intelligent Laboratory …, 2015 - Elsevier
An updated version of the graphical user-friendly interface related to the Multivariate Curve
Resolution-Alternating Least Squares (MCR-ALS) algorithm is presented. This GUI works …

Multivariate Curve Resolution (MCR). Solving the mixture analysis problem

A De Juan, J Jaumot, R Tauler - Analytical Methods, 2014 - pubs.rsc.org
This article is a tutorial that focuses on the main aspects to be considered when applying
Multivariate Curve Resolution to analyze multicomponent systems, particularly when the …

Data analysis strategies for targeted and untargeted LC-MS metabolomic studies: Overview and workflow

E Gorrochategui, J Jaumot, S Lacorte… - TrAC Trends in Analytical …, 2016 - Elsevier
Data analysis is a very challenging task in LC-MS metabolomic studies. The use of powerful
analytical techniques (eg, high-resolution mass spectrometry) provides high-dimensional …

The nuclearity of the active site for methane to methanol conversion in Cu-mordenite: a quantitative assessment

DK Pappas, A Martini, M Dyballa… - Journal of the …, 2018 - ACS Publications
The direct conversion of methane to methanol (MTM) is a reaction that has the potential to
disrupt a great part of the synthesis gas-derived chemical industry. However, despite many …

Chemometric methods in data processing of mass spectrometry-based metabolomics: A review

L Yi, N Dong, Y Yun, B Deng, D Ren, S Liu… - Analytica chimica acta, 2016 - Elsevier
This review focuses on recent and potential advances in chemometric methods in relation to
data processing in metabolomics, especially for data generated from mass spectrometric …

The why and how of nonnegative matrix factorization

N Gillis - … , optimization, kernels, and support vector machines, 2014 - books.google.com
Nonnegative matrix factorization (NMF) has become a widely used tool for the analysis of
high-dimensional data as it automatically extracts sparse and meaningful features from a set …

Surface-enhanced Raman spectroscopy and microfluidic platforms: challenges, solutions and potential applications

IJ Jahn, O Žukovskaja, XS Zheng, K Weber… - Analyst, 2017 - pubs.rsc.org
The exhaustive body of literature published in the last four years on the development and
application of systems based on surface-enhanced Raman spectroscopy (SERS) combined …