ZeroPM pieces #19: Transformation products of persistent and mobile substances
In ZeroPM piece #19 Emma Palm, a Doctoral Researcher at the University of Luxembourg, presents state-of-the-art strategies to tackling the challenge of transformation products. Transformation products tend to be more mobile than their precursors, but are they necessarily more persistent?
Emma’s amazing research includes the development of a new app, ShinyTP, that can be used to text mine for transformation reactions, for curation and addition to transformation chemical libraries (see https://pubs.acs.org/doi/full/10.1021/acs.estlett.3c00537). A central aspect for persistence is to identify common “dead end” transformation products, which can be identified across these libraries for improving transformation predictino models. As Emma presents, Cheminformatics and text mining can get us far, but still manual curation is needed to develop effective transformation reaction databases, to better make transformation model predictions in future.
So are transformation products more persistent and mobile than their precursors? More mobile – yes! More persistent— sometimes…
Slides can be found here: https://zenodo.org/records/10716219
In the ZeroPM pieces video series, individual researchers in the project will tell you about one piece of the ZeroPM puzzle they are working on. These were filmed as mini-lunch time seminars within the ZeroPM project, and are being released in different seasons via this youtube channel.
For more info on ZeroPM, please visit our website at http://www.zeropm.eu.
#PFAS #PMT #transformationproducts #zeropollution #environmentalchemistry #cheminformatics #bigdata
ZeroPM has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 101036756