PhD offer: Revisiting the Amidation Reaction by Flow Mechanochemistry and Machine Learning (copie)
Context and objectives:
Mechanochemistry and flow chemistry have been recognized in 2019 by the International Union for Pure and Applied Chemistry (IUPAC) as two of the emerging technologies that could contribute to the sustainable development of our planet by reducing the carbon footprint.1 By merging both areas, reactive extrusion known also as flow mechanochemistry provides a continuous and sustainable approach for synthesis, mainly by drastically reducing the amount of solvent used. Applications in the field of organic synthesis have been limited so far to a few examples2 including some developed in our team.3 The FlowRex project, supervised by Frédéric Lamaty and Xavier Bantreil will aim at developing innovative solutions to make an amide bond, present in many molecules of interest, by combining mechanochemistry and reactive extrusion with other activation methods (catalysis, photocatalysis). This will also imply new necessary developments, both in reactive extrusion technology and in a machine learning-based optimization approach. Preliminary work in a ball-mill will be also carried out. With these tools in hands, target molecules such as active pharmaceutical ingredients will be synthesized.
References :
- Gomolloń-Bel, F. Chem. Int. 2019, 41, 12−17.
- Bolt, R. R. A.; Leitch, J. A.; Jones, A. C.; Nicholson, W. I.; Browne, D. L. Chem. Soc. Rev. 2022, 51, 4243-4260
- a. Yeboue, Y.; Gallard, B.; Le Moigne, N.; Jean, M.; Lamaty, F.; Martinez, J.; Métro, T.-X. ACS Sustain. Chem. Eng. 2018, 6, 16001 b. Lavayssiere, M.; Lamaty, F. Chem. Commun. 2023, 59, 3439 c. Mohy El-Dine, T.; Lavayssiere, M.; Adihou, H.; Subra, G.; Métro, T.-X.; Ludemann-Hombourger, O.; Lamaty, F. Synthesis of Peptides by Reactive Extrusion. ChemistryEurope 2024, 2, e202400007. d. Lavayssiere, M.; Bantreil, X.; Lamaty, F. ChemRxiv 2025, 10.26434/chemrxiv-22025-zgpnz.
Location:
Green Chemistry and Enabling Technologies team (https://greenchem.cnrs.fr) , Institute of Biomolecules max Mousseron (https://ibmm.umontpellier.fr), Montpellier, France in the brand new Balard Building.
Profile:
Engineering school or Master student in Chemistry graduate with good knowledge and skills in organic chemistry, a strong interest/skills in mechanics, prototyping and 3D-printing, skills in programming/machine learning.
Ideal start of the PhD:
October-December 2025
Application procedure:
Via the CNRS Portal: https://emploi.cnrs.fr/Offres/Doctorant/UMR5247-FRELAM-003/Default.aspx