Tag Archives: quantification

ICNTS 2023 in Erding, Germany

In the middle of October, a large part of our group had a chance to present and discuss our research in ICNTS 2023 in Erding, Germany. ICNTS, International Conference on Non-Target Screening for long, is a biannual conference focused on detecting, identifying, and characterizing unknown chemicals with high-resolution mass spectrometry and other techniques. The rather […]

APMRS 2023 in Innsbruck

From 27.-29. of September, I attended the Austrian Proteomics and Metabolomics Association (APMA) meeting in a breathtakingly beautiful Innsbruck, Tirol. The three days were filled with exciting talks on proteomics (my special focus was studies related to toxic effects) and different aspects of metabolomics (amino acids, xenobiotics, lipidomics). I was invited to give a keynote […]

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 […]

NTS workshop and NORMAN General Assembly in

Last week of November I and Louise participated in a two-day NTS workshop on analytical techniques and implementation followed by a two-day NORMAN network‘s annual meeting in Odense, Denmark. NORMAN interlaboratory comparison of semi-quantification methods We presented the quantification strategies for the LC/HRMS nontarget screening together with a first glance at the results from the […]

Quantification and its accuracy in nontarget screening

Last Tuesday Jon Sobus from EPA presented some of the findings from a recent paper Uncertainty estimation strategies for quantitative non-targeted analysis, where we were also happy to collaborate, on the BP4NTA online meeting. People from BP4NTA meetings have been reaching out with questions on ionization efficiency-based quantification. Some of these are often asked of us and I decided […]

Nontarget Analysis for Environmental Risk Assessment SETAC Focused Topic Meeting

Recently, I attended my first in-person conference, the Nontarget Analysis for Environmental Risk Assessment SETAC Focused Topic Meeting. It was held in Durham, NC, USA from May 22 -26 2022, and it was a very intense week filled with interesting talks, posters, and meetings with other scientists. It was very nice to put a face […]

What is the potential risk of the compounds detected in water samples? Combining concentration and toxicity

How do you know which of the compounds detected in suspect or non-targeted screening is most likely to cause an adverse effect? Which is most toxic? Which is present in the highest concentration? Which is having a concentration close to a toxic endpoint? This is exactly what we are answering in our latest research in […]

Quantification for non-targeted LC/MS screening without standard substances

Recently we have published a paper on advancement in predicting ionization efficiency in ESI and using this for estimating the concentration of pesticides in cereal samples without the need for analytical standards. In this paper, we explored the possibility to use machine learning for fast and accurate prediction of ionization efficiency. Previously we have carefully […]