What is it about?

Glyphosate is a wide spectrum herbicide and its distribution in the environment depends on how it is present in solution. Its different molecular groups can interact in diverse ways depending on the nature of the molecules that surrounds it. In this work we are evaluating the origins of the glyphosate protonation and deprotonation in water solutions and the fundamental aspects that control this phenomenon.

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Why is it important?

By understanding the origins of the effects that control glyphosate distribution in solution it is possible to understand the actual molecular state in which glyphosates interacts with the environment and to envision ways to cope with the glyphosate distribution in the environment.


This article opens the possibility to further study the deprotonation equilibrium of glyphosate, as there is still a debate on the last group to gets deprotonated when glyphosate is exposed to basic media as it highlights that the amino group protonation is intrinsic less favorable in the gas phase, but extensively stabilized in solution. It is also relevant in a broader context for our research group as it allow us to showcase the relevance of ion spectroscopy techniques coupled to mass spectrometry in diverse research areas.

Prof. Dr. Thiago Carita Correra
Instituto de Química da Universidade de São Paulo

Read the Original

This page is a summary of: Solvation Effects on Glyphosate Protonation and Deprotonation States Evaluated by Mass Spectrometry and Explicit Solvation Simulations, The Journal of Chemical Physics, January 2023, American Institute of Physics, DOI: 10.1063/5.0134003.
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