What holds 2023?

As I am writing this, 2022 is approaching its last hours, and it is high time for a throwback to the year, my friends, and a bit of peaking into the upcoming 2023. 2022 was a very fruitful year for Kruvelab. Since I moved to Stockholm University in mid-2019 I have been building – with […]

Machine Learning and Analytical Chemistry Seminar at the University of Tartu

In January a collaborative project on improving machine learning prediction accuracy for quantification in non-target screening started between our group and the group of Meelis Kull at the Institute of Computer Science at the University of Tartu kicked off. In the summertime, two PhD students, Louise Malm and Wei Chieh (Harry) Wang joined the project. […]

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 […]

Welcome to Kruvelab, Yvonne!

This is Yvonne, a second-year Master’s student in Analytical Chemistry. There are two things she cannot get enough of – hiking and gaining new knowledge. Yvonne has just started her Master’s thesis in which she is exploring the possibility of using deep learning for toxicity predictions. She is training an autoencoder to compress the HRMS […]

International Mass Spectrometry Conference 2022 in Maastricht, The Neatherlands

Last week Amina, Pilleriin, and I participated in the International Mass Spectrometry conference 2022 in Maastricht, The Netherlands. With more than 1300 participants IMSC was the first big mass spec conference in Europe after covid and a special feeling of enthusiasm was in the air. We kicked off on Monday morning with a session on […]

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 […]

MultiConditionRT: a new tool to predict retention times in a wide range of chromatographic conditions

Retention time is a crucial information for structural elucidation of unknown chemicals in non-targeted analysis using liquid chromatography coupled to high resolution mass spectrometry via electrospray ionization (LC/ESI/HRMS). Most of the predictive models of retention time are developed in limited chromatographic conditions, mostly for reversed phase and HILIC mode and in acidic conditions. However, retention […]

Welcome to Kruvelab – meet Masoumeh

Masoumeh Akhlaqi is a Master student in analytical chemistry at Stockholm University. For her Master’s thesis, she is using two-dimensional ion mobility to separated, distinguish or identify isomeric compounds,  specifically isomeric pesticides in food samples. For this purpose, she is using cyclic ion mobility instrument coupled to liquid chromatography and Time-of-Flight mass analyzer.