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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.

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

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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