Non-targeted screening with liquid chromatography-electrospray high-resolution mass spectrometry (LC/ESI/HRMS) is revealing hundred to thousands of contaminants in the water. We have recently proposed a way to quantify these contaminants based on the estimated LC/ESI/HRMS ionization efficiencies. But how to know how well such tools are performing? Well, we need to compare with classical methods that are […]
Tag Archives: non-target
19
Oct
Oct
The difficulty in quantifying compounds in LC/ESI/HRMS arises from vastly different responsiveness of the compounds. At the same concentration, two compounds may yield very different signals due to the differences in the ionization efficiency of the compounds. The different responsiveness has made semi-quantitative non-targeted screening challenging. Still, research has been increasingly focussing on enabling the semi-quantification […]
25
May
May
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 […]
28
Feb
Feb
After the move to Stockholm University, my group is looking for new members. Currently, we have available a post-doc position. If you enjoy coding, are interested in machine learning and applying these tools to solve problems in mass spectrometry and you hold a PhD or are graduating soon, this is your chance! For more information […]
In June at HPLC conference I had a super nice possibility to explain what is non-targeted screening and why it should be developed into a quantitative method. Now, this video is available for all of you. I thank a lot Alasdair Matheson from LC&GC, who invited me to do the video, LCGC video teem, and HPLC […]
12
Nov
Nov
At the end of October, a three-day SWEMSA conference on non-targeted analysis took place in the Erding, close to Munich, Germany. On the conference representatives from different non-targeted communities came together to present the last progress made in the field. The focus was very strongly on the data analysis side but also method development and […]
27
Aug
Aug
Last week two of our PhD students, Piia Liigand and Jaanus Liigand, successfully defended their PhD theses. Both Piia and Jaanus worked intensively and successfully on understanding the ionization process in electrospray ionization source (ESI) and applying this knowledge for quantifying compounds with LC/ESI/MS without standard substances. Congratulations to the fresh doctors! Piia is continuing […]
31
Jul
Jul
We are happy to invite you to the lecture by Prof. Susan D. Richardson on the topic of “Emerging Contaminants: State of the Art and New Discoveries” taking place on the 14th of August 2019. Follow the event on Facebook. Emerging Contaminants Environmental research continues to expand beyond traditional, regulated contaminants to emerging contaminants, such as […]
29
May
May
Last week from 20th to 21th of May Tartu hosted Eurachem yearly workshop with the topic of “Validation of targeted and non-targeted methods of analysis”. These two days were filled with exciting presentations, insightful discussions and joy of meeting new and old friends and collaboration partners. What is happening in the field of non-targeted analysis? Eurachem […]
05
Jul
Jul
Today the importance of environmental analyses has been generally accepted. However conventional environmental monitoring programs are somewhat limited in scope as these programs only search for compounds that have been previously found to exist in contaminated samples. These compounds make up only a fraction of compounds that may be present in target samples overall. In […]
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