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Computational characterisation of radiosensitising nanoparticles and their properties

Objective

Coated metal nanoparticles (NPs) in molecular environments are widely studied for applications in nanobiotechnology and nanomedicine. Understanding of the nanoscale phenomena (formation and transport of secondary electrons, free radicals and their chemical interactions) induced by NP irradiation with ion beams is crucial for enhancing the potential of novel radiotherapy techniques. The Radio-NP project aims at the atomistic computational analysis of (i) structural properties of coated metal NPs in biological environments and (ii) the impact of these properties on the formation and transport of secondary electrons and radicals in the vicinity of NPs irradiated with ions. The realised approach will combine (i) the ab initio framework to evaluate parameters of quantum transformations of system constituent molecules, (ii) classical molecular dynamics (MD) employed in the advanced scientific software MBN Explorer to characterise NPs and study their interaction with molecular media, and (iii) irradiation-driven MD - the novel and unique implementation in MBN Explorer, to model random interactions of the medium with secondary electrons emitted from the NPs, with account for possible chemical transformations. The recently developed IDMD approach will be applied for the first time to model irradiation-induced chemistry in the vicinity of complex NPs. This methodology will go beyond the physics of the Monte Carlo approach widely used to study nanoscale mechanisms of energy deposition under NP irradiation. The interdisciplinary research program of Radio-NP will be carried out at MBN Research Center - an SME that develops MBN Explorer software. Radio-NP will combine applicant’s knowledge in radiation physics and chemistry with strong expertise of the host in professional software development. The applicant will thus gain a broad set of scientific, technical, complementary and entrepreneurial skills that are highly demanded for his further career as a professional researcher.

Fields of science (EuroSciVoc)

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Programme(s)

Multi-annual funding programmes that define the EU’s priorities for research and innovation.

Topic(s)

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.

MSCA-IF-EF-SE - Society and Enterprise panel

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Call for proposal

Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.

(opens in new window) H2020-MSCA-IF-2017

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Coordinator

MBN RESEARCH CENTER GGMBH
Net EU contribution

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.

€ 171 460,80
Address
AM STEINCHEN 3C
61479 Glashuetten
Germany

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SME

The organization defined itself as SME (small and medium-sized enterprise) at the time the Grant Agreement was signed.

Yes
Region
Hessen Darmstadt Hochtaunuskreis
Activity type
Private for-profit entities (excluding Higher or Secondary Education Establishments)
Links
Total cost

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.

€ 171 460,80
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