Project description
How to optimise chemical reactions
The study of chemical reactions is crucial to scientific progress and the discovery of new molecules. Describing these reactions is a key aspect of research, and nuclear magnetic resonance (NMR) plays a central role for this. Despite advancements in the field and in NMR technology, current equipment and methodologies cannot reliably identify compounds within reaction mixtures. The ERC-funded UNMIX project aims to overcome this limitation by developing a novel approach: unmixing compound-specific data using time-resolved diffusion NMR in continuous flow. This breakthrough could lead to unprecedented advances in discovering, understanding, and optimising chemical reactions.
Objective
Chemical reactions are the universal path to new molecules, and are of central importance in science. The description of reactions is largely obtained once they are completed, with a key role of nuclear magnetic resonance (NMR), through the structural information found in the spectra of purified products. Structural information is, however, elusive for ongoing reactions. While time-resolved NMR provides kinetics for known compounds, compound identification from a reaction mixture is not generally feasible today. Such identification would be transformative for the discovery, understanding and optimisation of reactions.
The UNMIX project aims at providing unprecedented levels of structural and quantitative information from ongoing reactions in experimentally relevant conditions. Its central, novel concept is the unmixing of compound-specific data by time-resolved diffusion NMR in continuous flow.
Diffusion NMR is a method with the potential to separate the spectra of mixture components. Until recently, diffusion NMR was limited to reactions performed in an NMR tube, a setup that often fails to replicate experimental conditions of interest. In contrast, emerging continuous-flow approaches give real-time monitoring in relevant conditions.
In 2022, the PI has shown the possibility to obtain high-quality diffusion NMR data for flowing samples. This opens the path to the UNMIX project, and its specific aims to:
1) develop novel accurate, fast, sensitive and flow-compatible diffusion NMR methods;
2) develop an original and broadly applicable data-analysis workflow to yield compound-specific 1D/2D spectra and concentration time curves from ongoing reactions;
3) address challenging applications such as the identification of intermediates in multi-step batch reactions, and reaction discovery with an autonomous flow reactor.
We expect these general methods will unravel transformative information on reactions and have broad impact in (bio)chemical science and engineering.
Keywords
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Programme(s)
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
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HORIZON.1.1 - European Research Council (ERC)
MAIN PROGRAMME
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Topic(s)
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Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Funding Scheme
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
HORIZON-ERC - HORIZON ERC Grants
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Call for proposal
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
(opens in new window) ERC-2023-COG
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Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.
75794 PARIS
France
The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.