NORMAN guidance on suspect and non-target screening in environmental monitoring

Authors: Juliane Hollender, Emma L. Schymanski, Lutz Ahrens, Nikiforos Alygizakis, Frederic Béen, Lubertus Bijlsma, Andrea M. Brunner, Alberto Celma, Aurelie Fildier, Qiuguo Fu, Pablo Gago-Ferrero, Ruben Gil-Solsona, Peter Haglund, Martin Hansen, Sarit Kaserzon, Anneli Kruve, Marja Lamoree, Christelle Margoum, Jeroen Meijer, Sylvain Merel, Cassandra Rauert, Pawel Rostkowski, Saer Samanipour, Bastian Schulze, Tobias Schulze, Randolph R. Singh, Jaroslav Slobodnik, Teresa Steininger-Mairinger, Nikolaos S. Thomaidis, Anne Togola, Katrin Vorkamp, Emmanuelle Vulliet, Linyan Zhu, Martin Krauss

Source: Environmental Sciences Europe, Vol 35, Iss 1, Pp 1-61 (2023)

Subject Terms: Non-target screening, Suspect screening, High-resolution mass spectrometry, Sample preparation, Organic contaminants, Chromatography, Environmental sciences, GE1-350, Environmental law, K3581-3598

File Description: electronic resource

Relation: https://doaj.org/toc/2190-4715

Access URL: https://doaj.org/article/376b134861c745848ebb9f8e42b26d0d

Machine Learning Tools Can Pinpoint High-Risk Water Pollutants

Authors: Helen Sepman, Pilleriin Peets, Lisa Jonsson, Louise Malm, Malte Posselt, Matthew MacLeod, Jonathan Martin, Magnus Breitholtz, Michael McLachlan, Anneli Kruve

Source: Proceedings, Vol 92, Iss 1, p 68 (2023)

Subject Terms: high-resolution mass spectrometry, toxicity, quantification, machine learning, non-targeted screening, suspect screening, General Works

File Description: electronic resource

Relation: https://www.mdpi.com/2504-3900/92/1/68; https://doaj.org/toc/2504-3900

Access URL: https://doaj.org/article/073ae3d7a88d456a98f048dc3c86ecba

Anion-driven encapsulation of cationic guests inside pyridine[4]arene dimers

Authors: Anniina Kiesilä, Jani O. Moilanen, Anneli Kruve, Christoph A. Schalley, Perdita Barran, Elina Kalenius

Source: Beilstein Journal of Organic Chemistry, Vol 15, Iss 1, Pp 2486-2492 (2019)

Subject Terms: cation binding, dft calculations, ion mobility mass spectrometry, macrocycles, pyridinearenes, resorcinarenes, Science, Organic chemistry, QD241-441

File Description: electronic resource

Relation: https://doaj.org/toc/1860-5397

Access URL: https://doaj.org/article/d39b986de4e6449c8a37fb236726f8d0

Machine Learning for Absolute Quantification of Unidentified Compounds in Non-Targeted LC/HRMS

Authors: Emma Palm, Anneli Kruve

Source: Molecules, Vol 27, Iss 3, p 1013 (2022)

Subject Terms: random forest, non-target analysis, suspect screening, quantification, Organic chemistry, QD241-441

File Description: electronic resource

Relation: https://www.mdpi.com/1420-3049/27/3/1013; https://doaj.org/toc/1420-3049

Access URL: https://doaj.org/article/89ec82cb5f114fc490a8e55cee5e7bd1

Guide to Semi-Quantitative Non-Targeted Screening Using LC/ESI/HRMS

Authors: Louise Malm, Emma Palm, Amina Souihi, Merle Plassmann, Jaanus Liigand, Anneli Kruve

Source: Molecules, Vol 26, Iss 12, p 3524 (2021)

Subject Terms: Ionization, quantification, decision making, NTS strategies, Organic chemistry, QD241-441

File Description: electronic resource

Relation: https://www.mdpi.com/1420-3049/26/12/3524; https://doaj.org/toc/1420-3049

Access URL: https://doaj.org/article/f2858b714bad4f00a0677e3cea1b7361

Unified pH Values of Liquid Chromatography Mobile Phases.

Authors: Agnes Suu¹, Lauri Jalukse¹, Jaanus Liigand¹, Anneli Kruve¹, Daniel Himmel², Ingo Krossing², Marti Rosés³, Ivo Leito¹, ivo.leito@ut.ee

Source: Analytical Chemistry; 3/3/2015, Vol. 87 Issue 5, p2623-2630, 8p