Guide to semi-quantitative non-targeted screening using LC/ESI/HRMS

L Malm, E Palm, A Souihi, M Plassmann, J Liigand… - Molecules, 2021 - mdpi.com
Non-targeted screening (NTS) with reversed phase liquid chromatography electrospray
ionization high resolution mass spectrometry (LC/ESI/HRMS) is increasingly employed as …

What is the role of current mass spectrometry in pharmaceutical analysis?

M Khalikova, J Jireš, O Horáček… - Mass Spectrometry …, 2024 - Wiley Online Library
The role of mass spectrometry (MS) has become more important in most application
domains in recent years. Pharmaceutical analysis is specific due to its stringent regulation …

[HTML][HTML] Thermal responses of dissolved organic matter under global change

A Hu, KS Jang, AJ Tanentzap, W Zhao… - Nature …, 2024 - nature.com
The diversity of intrinsic traits of different organic matter molecules makes it challenging to
predict how they, and therefore the global carbon cycle, will respond to climate change …

Approaches for assessing performance of high-resolution mass spectrometry–based non-targeted analysis methods

CM Fisher, KT Peter, SR Newton, AJ Schaub… - Analytical and …, 2022 - Springer
Non-targeted analysis (NTA) using high-resolution mass spectrometry has enabled the
detection and identification of unknown and unexpected compounds of interest in a wide …

A novel workflow for semi-quantification of emerging contaminants in environmental samples analyzed by LC-HRMS

R Aalizadeh, V Nikolopoulou, N Alygizakis… - Analytical and …, 2022 - Springer
There is an increasing need for develo** a strategy to quantify the newly identified
substances in environmental samples, where there are not always reference standards …

Quantification Approaches in Non-Target LC/ESI/HRMS Analysis: An Interlaboratory Comparison

L Malm, J Liigand, R Aalizadeh, N Alygizakis… - Analytical …, 2024 - ACS Publications
Nontargeted screening (NTS) utilizing liquid chromatography electrospray ionization high-
resolution mass spectrometry (LC/ESI/HRMS) is increasingly used to identify environmental …

A Semi-Quantitative Approach to Nontarget Compositional Analysis of Complex Samples

RL Evans, DJ Bryant, A Voliotis, D Hu, HH Wu… - Analytical …, 2024 - ACS Publications
Nontarget analysis (NTA) by liquid chromatography coupled to high-resolution mass
spectrometry improves the capacity to comprehend the molecular composition of complex …

Quantification of chemicals in non-targeted analysis without analytical standards–Understanding the mechanism of electrospray ionization and making predictions

TA Johnson, DP Abrahamsson - … opinion in environmental science & health, 2024 - Elsevier
The constant creation and release of new chemicals to the environment is forming an ever-
widening gap between available analytical standards and known chemicals. Develo** …

[HTML][HTML] Greenness metrics for analytical methodologies linked to mass spectrometry

M Jurisch, JCL Gomes, BM Parreiras… - Green Analytical …, 2024 - Elsevier
With a global focus on sustainability and environmental impact, scientists have been
prompted to adopt eco-friendly practices. Green analytical chemistry (GAC) promotes energy …

Reproducible untargeted metabolomics workflow for exhaustive MS2 data acquisition of MS1 features

M Yu, G Dolios, L Petrick - Journal of Cheminformatics, 2022 - Springer
Unknown features in untargeted metabolomics and non-targeted analysis (NTA) are
identified using fragment ions from MS/MS spectra to predict the structures of the unknown …