Category Archives: Research

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 […]

EcoBalt 2023

The 23rd biennial International Conference EcoBalt 2023 was held in Tallinn this year. The conference drew together researchers from various fields of chemistry, from toxicologists to materials scientists, focusing on chemicals and the environment. The topics covered methods for detecting and understanding contamination as well as potential solutions to deal with the pollution. As a person […]

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 […]

WISE Welcome Meeting

The new WISE initiative of the Knut and Alice Wallenberg foundation for “Material Science for Sustainability” launched an introductory meeting on the 28th-30th of August. The conference, situated at Vildmarkshotel in an area of outstanding natural beauty east of Norrköping, provided a broad range of presentations, from science, industry and management. David Karis, senior project […]

Welcome to Kruvelab, Lena and Ida!

We’re excited to introduce Lena Aisch and Ida Rahu, our latest additions to the group. Lena recently joined us for her MSc thesis, focusing on interpretable machine learning for the detection of toxic chemicals in non-targeted LC/HRMS. Lena came to Sweden for the master’s programme in analytical chemistry at Stockholm University, and we are thrilled […]

Accelerate Conference 2023

Under the theme “A materially better future for everyone” the Acceleration Consortium hosted the Accelerate Conference 2023 in Toronto from 22nd to 25th of August. For me it was the first chance to meet people from the field of machine learning based material design in person after reading many papers over the last months. The […]

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 […]