MS2Quant: Estimate the Concentration of Detected Chemicals from MS2 Data

Non-targeted screening is helping us to discover the complex chemical space of environmental samples. Due to the large number of detected chemicals, prioritization is necessary to direct focus on chemicals posing a risk to biota and humans. Commonly, key information for risk assessment is the exposure to the respective chemical. Unfortunately, the detected signal intensity is poorly […]

Which mobile phase I should use for my non-target LC/HRMS method?

Recently Amina Souihi in our group investigated the impact of mobile phase composition on the detection of various chemicals with non-target screening in wastewater. If you are using liquid chromatography (LC) coupled to mass spectrometry (MS) you have probably noticed that it is not equally easy to detect all chemicals. This arises from the fact […]

A lot of great defenses

The beginning of June was a very busy but happy time for our group. On 01.06 Yvonne successfully defended her master thesis in Analytical Chemistry at Stockholm University and Ida defended here Master thesis in Machine Learning at University of Tartu. Just a day later Ellinor defended her bachelor thesis and on 13.06 Leo defended […]

NorthTox 2023

This April, the first–ever conference for Nordic toxicologists – NorthTox was held to create and strengthen the toxicology community and encourage interactions and collaborations between people with similar research aims. The conference focused on the current situation and challenges of ecotoxicology while introducing new strategies for dealing with the issues to create a sustainable society.  […]

Welcome Henrik!

This month we were able to welcome our new post-doc Henrik to our group. Recently, Henrik successfully defended his PhD thesis about noncovalent interactions to construct supramolecular switches at Freie Universität Berlin. Here, his work will focus on the design of sustainable derivatization reagents for pesticide detection with LC/HRMS. A machine learning algorithm will be […]

Pittcon 2023

On my third try, I was finally able to participate in Pittcon last week. This year Pittcon took place in person in Philadelphia, US. I was lucky enough to present our recent works in two presentations, one on quantitative nontarget screening (NTS) and the other on toxicity prediction for unidentified chemicals. You can find my […]