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NuMagLongRx SIGNED

Nuclear magnetic long-lived state relaxation

Total Cost €

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EC-Contrib. €

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Partnership

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 NuMagLongRx project word cloud

Explore the words cloud of the NuMagLongRx project. It provides you a very rough idea of what is the project "NuMagLongRx" about.

remote    investigations    molecular    propagators    computational    reliably    theoretical    physicochemical    spin    chemical    free    hours    spectroscopic    media    predicts    signals    magnetic    latter    predict    enhanced    tools    enormously    electronic    educated    govern    documentation    lifetimes    exists    pushing    few    workshops    stimulus    special    combines    relaxation    sciences    dynamics    minutes    optimized    presently    purpose    structure    extend    chemistry    mrb    extended    generate    lifetime    inclusion    times    instructional    resonance    experimentally    fact    sustain    biochemical    imaging    science    examples    interaction    record    calculations    quantum    nmr    hyperpolarized    found    nuclear    accurately    experts    critical    beacons    molecules    simulations    guess    lived    online    lls    social    algorithm    place    disseminated    videos    software    magnetization    transported    function    site    mechanisms    multiscale    posts   

Project "NuMagLongRx" data sheet

The following table provides information about the project.

Coordinator
UNIVERSITY OF SOUTHAMPTON 

Organization address
address: Highfield
city: SOUTHAMPTON
postcode: SO17 1BJ
website: http://www.southampton.ac.uk

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
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 Coordinator Country United Kingdom [UK]
 Total cost 212˙933 €
 EC max contribution 212˙933 € (100%)
 Programme 1. H2020-EU.1.3.2. (Nurturing excellence by means of cross-border and cross-sector mobility)
 Code Call H2020-MSCA-IF-2019
 Funding Scheme MSCA-IF-EF-ST
 Starting year 2020
 Duration (year-month-day) from 2020-07-01   to  2022-06-30

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    UNIVERSITY OF SOUTHAMPTON UK (SOUTHAMPTON) coordinator 212˙933.00

Map

 Project objective

This project will develop computational tools that are critical in pushing forward the science of long-lived states (LLS) and their utilization as magnetic resonance beacons (MRB). The MRB support hyperpolarized nuclear spin order for long times (from few minutes to hours) and can generate enormously enhanced nuclear magnetic resonance (NMR) signals under a specific biochemical or physicochemical stimulus. Presently, no method exists to reliably predict the LLS lifetimes and the molecules that can function as MRB have been found based only on an educated guess. An algorithm that accurately predicts LLS lifetimes will allow the design of MRB with a specific purpose, and to extend the present record of LLS lifetime to the scale of many hours. The latter will allow MRB to be hyperpolarized in a remote site and transported to the place of use for spectroscopic and imaging investigations. The computational tools will be disseminated as a free-to-use software package, supported by documentation, workshops, instructional videos, social media posts, and online examples. The package is developed with special attention given to the fact that most of the users will not be experts in computational sciences or theoretical chemistry. The software combines molecular dynamics simulations and quantum chemical calculations in multiscale to produce propagators of the magnetization dynamics. Also, new electronic structure method will be developed to allow the inclusion of all relevant interaction mechanisms. It will include analysis tools to determine the processes and interaction mechanisms that govern LLS relaxation. The software will be experimentally optimized and applied to design MRB that are able to sustain extended LLS lifetimes.

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The information about "NUMAGLONGRX" are provided by the European Opendata Portal: CORDIS opendata.

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