NAISS
SUPR
NAISS Projects
SUPR
DFT energy optimization of textile molecules
Dnr:

NAISS 2026/4-2

Type:

NAISS Small

Principal Investigator:

Tim Åström

Affiliation:

Stockholms universitet

Start Date:

2026-01-07

End Date:

2027-02-01

Primary Classification:

10401: Analytical Chemistry

Webpage:

Allocation

Abstract

Textile pollutants are a growing concern as many of these culprits may result in long-term adverse health effects, including cancerogenesis, mutagenicity, reprotoxicity and/or skin sensitization. Therefore, we seek to find analytical methodologies to analyse these chemicals rapidly using liquid chromatography high-resolution mass spectrometry and to understand their ionization behaviour in the gas phase.