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LIFETimeS SIGNED

Light-Induced Function: from Excitation to Signal through Time and Space

Total Cost €

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EC-Contrib. €

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Partnership

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 LIFETimeS project word cloud

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

units    calls    breakthrough    inside    integration    reveal    organisms    electronic    function    scales    world    approximations    micro    silico    chemistry    molecular    biological    cascade    models    performance    completely    quantum    event    instrument    life    space    description    mechanisms    conformational    dynamics    converted    transforming    protein    strategies    completeness    milli    action    follow    domains    coarse    energy    particles    involve    initial    machinery    reproduce    travels    formidably    excitation    strategy    starting    cellular    give    time    manipulating    sensing    atomistic    accuracy    grained    multiple    forms    continuum    computing    computational    practical    nature    observation    spans    codes    light    chromophoric    ultrafast    functions    requiring    bioactivity    activation    reached    parts    techniques    principles    subnanoscale    govern    localized    seconds    laws    responding    diverse    bound    matrix    point    interactions    simulations    complete   

Project "LIFETimeS" data sheet

The following table provides information about the project.

Coordinator
UNIVERSITA DI PISA 

Organization address
address: LUNGARNO PACINOTTI 43/44
city: PISA
postcode: 56126
website: www.unipi.it

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Italy [IT]
 Total cost 2˙400˙000 €
 EC max contribution 2˙400˙000 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2017-ADG
 Funding Scheme ERC-ADG
 Starting year 2018
 Duration (year-month-day) from 2018-09-01   to  2023-08-31

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    UNIVERSITA DI PISA IT (PISA) coordinator 2˙400˙000.00

Map

 Project objective

Organisms of all domains of life are capable of sensing, using and responding to light. The molecular mechanisms used are diverse, but most commonly the starting event is an electronic excitation localized on a chromophoric unit bound to a protein matrix. The initial excitation rapidly “travels” across space to be converted in other forms of energy and finally used to complete the biological function. The whole machinery spans many different space and time scales: from the ultrafast electronic process localized at the subnanoscale of the chromophoric units, through conformational processes which involve large parts of the protein and are completed within micro- to milli-seconds, up to the activation of new protein-protein interactions requiring seconds or more. Theoretically addressing this cascade of processes calls for new models and computational strategies able to reproduce the dynamics across multiple space and time scales. Such a goal is formidably challenging as the interactions and the dynamics involved at each scale follow completely different laws, from those of the quantum world to those of classical particles. Only a strategy based upon the integration of quantum chemistry, classical atomistic and coarse-grained models up to continuum approximations, can achieve the required completeness of description. This project aims at developing such integration and transforming it into high-performance computing codes. The completeness and accuracy reached by the simulations will represent a breakthrough in our understanding of the mechanisms, which govern the light-driven bioactivity. Through this novel point of observation of the action from the “inside”, it will be possible not only to reveal the ‘design principles’ used by Nature but also to give a “practical” instrument to test “in silico” new techniques for the control of cellular processes by manipulating protein functions through light.

 Publications

year authors and title journal last update
List of publications.
2020 Veronica Macaluso, Lorenzo Cupellini, Giacomo Salvadori, Filippo Lipparini, Benedetta Mennucci
Elucidating the role of structural fluctuations, intermolecular & vibronic interactions in the spectroscopic response of a bacteriophytochrome
published pages: , ISSN: 1463-9076, DOI: 10.1039/D0CP00372G
Physical Chemistry Chemical Physics 2020-04-01
2019 Francesco Segatta, Lorenzo Cupellini, Marco Garavelli, Benedetta Mennucci
Quantum Chemical Modeling of the Photoinduced Activity of Multichromophoric Biosystems
published pages: 9361-9380, ISSN: 0009-2665, DOI: 10.1021/acs.chemrev.9b00135
Chemical Reviews 119/16 2020-03-05
2019 Benedetta Mennucci, Stefano Corni
Multiscale modelling of photoinduced processes in composite systems
published pages: 315-330, ISSN: 2397-3358, DOI: 10.1038/s41570-019-0092-4
Nature Reviews Chemistry 3/5 2020-03-05
2019 Lorenzo Cupellini, Mattia Bondanza, Michele Nottoli, Benedetta Mennucci
Successes & challenges in the atomistic modeling of light-harvesting and its photoregulation
published pages: 148049, ISSN: 0005-2728, DOI: 10.1016/j.bbabio.2019.07.004
Biochimica et Biophysica Acta (BBA) - Bioenergetics 2020-03-05
2020 Lorenzo Cupellini, Dario Calvani, Denis Jacquemin, Benedetta Mennucci
Charge transfer from the carotenoid can quench chlorophyll excitation in antenna complexes of plants
published pages: , ISSN: 2041-1723, DOI: 10.1038/s41467-020-14488-6
Nature Communications 11/1 2020-03-05
2020 Mattia Bondanza, Lorenzo Cupellini, Filippo Lipparini, Benedetta Mennucci
The Multiple Roles of the Protein in the Photoactivation of Orange Carotenoid Protein
published pages: 187-203, ISSN: 2451-9294, DOI: 10.1016/j.chempr.2019.10.014
Chem 6/1 2020-03-05
2019 Felipe Cardoso Ramos, Michele Nottoli, Lorenzo Cupellini, Benedetta Mennucci
The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modeling
published pages: 9650-9662, ISSN: 2041-6520, DOI: 10.1039/C9SC02886B
Chemical Science 10/42 2020-03-05
2019 Daniele Loco, Louis Lagardère, Gérardo A. Cisneros, Giovanni Scalmani, Michael Frisch, Filippo Lipparini, Benedetta Mennucci, Jean-Philip Piquemal
Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings
published pages: 7200-7211, ISSN: 2041-6520, DOI: 10.1039/c9sc01745c
Chemical Science 10/30 2020-03-05
2019 Riccardo Nifosì, Benedetta Mennucci, Claudia Filippi
The key to the yellow-to-cyan tuning in the green fluorescent protein family is polarisation
published pages: 18988-18998, ISSN: 1463-9076, DOI: 10.1039/c9cp03722e
Physical Chemistry Chemical Physics 21/35 2020-03-05

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

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