Data-Gouv-ML/pcri-actions-marie-curie-participations-et-projets-laureats huggingface dataset:
Projet GASIR (Horizon 2020, appel à projets 2020)
Action : Postdoctoral Fellowships - Global Fellowships
Panel : Chemistry
Statut du projet : SIGNED

The goal of the fellowship is to build an ultrasensitive two-dimensional infrared spectrometer and apply it to detection of complex mixtures of trace amounts of volatile organic compounds (VOCs). Third-order spectroscopies using ultrashort pulses, such as 2D IR spectroscopy, are powerful tools for studying both structure and dynamics. They probe the evolution of state-to-state coherences between quantum states and evolution of state populations on femtosecond to nanosecond timescales, in between excitation by ultrashort optical pulses. In terms of molecular properties, 2D IR spectroscopy probes correlations between molecular bonds, which strongly depend on the structure of the molecule as a whole. Compared to linear spectroscopy, which is more bond-specific, 2D IR spectroscopy provides much greater selectivity. Compared to mass spectrometry methods, it is applicable to both small inorganic molecules and to VOCs and easily lends itself to quantitative analysis. 2D IR spectroscopy has not been used for trace-gas analysis up to now because of insufficient sensitivity. This project overcomes this problem by building first of its kind cavity-enhanced 2D IR spectrometer, with up to four orders of magnitude better sensitivity than the previous state of the art, and applying it to vibrational spectroscopy of VOCs. The potential for exploitation of the project outcomes includes breath analysis diagnostics, detection of explosives, narcotics and other trace-gas analysis problems. There are also many potential applications of the outcomes in basic science, in the field of ultrafast dynamics of optically dilute samples (e.g. cold molecular jets or sub monolayer films). Two notable examples include the problem of intramolecular vibrational energy redistribution and the dynamics of hydrogen bond networks. The expertise and unique skills gained during the outgoing phase will be used to establish a new research program in the host institution.

Mots clés : cavity enhanced spectroscopy, frequency comb, 2d spectroscopy, ultrafast spectroscopy, trace gas detection, volatile organic compounds

Participants :
- Nicolaus Copernicus University (Pologne) — Coordinator, beneficiary, Enseignement supérieur ou secondaire, subvention : 192762.24 €
- Research Foundation for the State University of New York (Etats-Unis) — Partner, organization partner, Autres, subvention : 0.0 €
Projet G4-mtQSAR (Horizon 2020, appel à projets 2020)
Action : Postdoctoral Fellowships - European Fellowships
Panel : Chemistry
Statut du projet : SIGNED

The goal of the proposed research is to develop computational methodology which can screen out small ligand molecules having potential to selectively target G-quadruplex (G4) DNA which are associated with cancer pathology. Multiple oncogenes and telomerase activity are deregulated in various types of cancers. Ligand induced stabilization of G4s associated with the oncogenes (c-myc, c-kit, k-ras, etc.) and stabilization of telomeric G4s are efficient ways in targeted cancer therapy. Here, we intend to develop multi-target QSAR models that can aid in finding potential multi-target directed ligands (MTDLs) that can stabilize multiple G4s from different oncogenes simultaneously. It is the first computational study for identifying MTDLs against multiple G4s in Cancer treatment. Different multi-target QSAR approaches will be explored including ‘multiple regression and classification’ QSAR models, multi-target QSAR using Box-Jenkins moving average approach and multi-target QSAR using Perturbation approach. Several advanced machine learning techniques will be employed. A state-of-the-art software tool will be developed where all the successful multi-target QSAR models and in-house ADMET models will be incorporated as a knowledgebase. Notably, desirability-based multi-objective optimization approach will be used for identifying drug-like molecules. The software along with in-house KNIME workflows will then be used to screen potential MTDLs against multiple G4s. The selectivity and binding characteristics of the screened MTDLs towards G4s over duplex DNA will be analysed by performing molecular docking and molecular dynamics studies. The binding capacity of the screened MTDLs with intended G4s over duplex DNAs will then be confirmed using experiments such as isothermal fluorescence, UV-Vis, CD spectroscopies and FRET melting assay. The findings will aid in identifying new leads and reducing false positive outcomes in the crucial early stages of drug discovery and development.

Mots clés : multi target qsar, cancer, drug discovery, machine learning, computational simulations

Participants :
- Moldrug ai systems sl (Espagne) — Coordinator, beneficiary, Organismes privés (hors enseignement), subvention : 172932.48 €
Projet CMSHInBeauty (Horizon 2020, appel à projets 2014)
Action : Postdoctoral Fellowships - European Fellowships
Panel : Physics
Statut du projet : CLOSED

The goal of this proposal is to understand the behaviour of bottomonia, i.e., bound states of bottom quark pairs, in heavy-ion collisions. The dissociation of these states is directly linked to the temperature of the quark-gluon plasma (QGP) formed in these collisions. However, additional effects not related to the QGP formation, referred to as cold nuclear matter effects, are also thought to play a role, complicating the interpretation of present data. A new quantity is proposed to disentangle these effects and isolate the dissociation effect of the QGP: the ratio of the nuclear modification factors (a normalized comparison of heavy-ion and proton-proton collisions) of bottomonia and open beauty. This quantity is particularly powerful if measured over the entire cross section, down to low transverse momentum. The open beauty measurement, carried out via non-prompt J/psi identification, is challenging at low transverse momentum and the project will start by a technical development aiming at reaching transverse momentum = 0 GeV/c in the heavy-ion environment. The measurements of bottomonia and open beauty will then be carried out with the high luminosity data at increased centre-of-mass energy that will be provided by LHC at the end of 2015. The final piece of the bottomonia puzzle is the measurement of the Xb excited states, which have never been measured in heavy-ion collisions, but which give a significant feed-down contribution to the Y(1S) ground state. A feasibility study of this difficult measurement will conclude this proposal.

Mots clés : bottomonia, non prompt j, psi, heavy ion collisions, nuclear modification factor

Participants :
- Centre national de la recherche scientifique (France) — Coordinator, beneficiary, Recherche, subvention : 173076.0 €
Projet MCNANO (Horizon 2020, appel à projets 2015)
Action : Postdoctoral Fellowships - European Fellowships
Panel : Chemistry
Statut du projet : CLOSED

The main aim of this proposal is to synthesize a range of lanthanide containing nanoparticles with an upconverting core, that can be excited in the infrared region to yield emission in the visible range, as for MRI and optical imaging. The nanoparticles will be covered with a rare earth doped MRI active shell and decorated with targeting moieties, which offers a means of targeting cancer cells that greatly over express the receptors. Further we will develop “phototheranostic” agents by anchoring the photo active anti cancer drug in between the receptors and the surface of upconverting/MRI active nanoparticle. A platform for synthesis of water soluble, modular target specific bimodal agents based on nanoprobes will be developed that will exhibit efficient upconverted photoluminescence from the rare-earth ions (Er3+/Tm3+) doped into fluoride nanomatrix. Simultaneously, the Tb3+/Dy3+/Ho3+ present at the shell will make them suitable as T2 contrast agents for MRI. Specific tumor targeting strategies will be developed by attaching targeting components like folic acid, cholesterol or cyclic-RGD to the surface of the nanoparticles. Functionalization of nanoparticles with [Pt(N3)2(OH)2(NH2-R)(py)] drug, which can be photoactivated by the blue light emitted from the nanoparticle core upon excitation at 980, will result in a novel phototheranostic anti-cancer agent. This system may allow a large degree of control of the therapeutic efficacy and ultimately lead to simultaneous diagnosis and treatment in clinical applications. The unique multidisciplinary approach adopted here which combines areas of nano-chemistry, spectroscopy and bio-imaging, is expected to lead to a disruptive change in the area of cancer research. The combination of these areas would allow for the first time the development of biocompatible “phototheranostic” agents for the simultaneous detection by MRI/optical imaging and cure of the cancer- affected tissues.

Mots clés : bimodal contrast agents, active core, active shell  ac, as  nanoparticles, lanthanide luminescence, upconversion, magnetic resonance imaging  mri, phototheranostic anticancer agent

Participants :
- KU Leuven (Belgique) — Coordinator, beneficiary, Enseignement supérieur ou secondaire, subvention : 172800.0 €
Projet PARTIMPACT (Horizon 2020, appel à projets 2020)
Action : Postdoctoral Fellowships - European Fellowships
Panel : Information Science and Engineering
Statut du projet : SIGNED

The main focus of this proposal is to accurately model the damage to the wind turbine blades due to impacts by solid (e.g. hailstone) or liquid (e.g. rain droplet) "particles". The applicant will pioneer a new multi-physics computational framework to transform the current semi-empirical computational fluid dynamics (CFD)-based approaches. This new research tool will then be used to answer the main research question which is to understand the dynamical role of impinging particles – liquid or solid – in the erosion process, enabling quantitative prediction of the erosive impact of particles and mass removal rate from the surfaces. The main modeling challenge is to present both solid and liquid particles in a unified theoretical framework. Therefore, the applicant will develop a generalised peridynamics theory to predict the damage by both solid and liquid particles and implement it in a validated opensource Software platform. The applicant will collaborate with Strathclyde University (STRATH) and the Manufacturing Technology Centre (MTC) to deliver the objectives, expand his professional network, and exchange knowledge with industrial stakeholders. The impact of the project is far-reaching: from reducing the costs of wind energy by preventing catastrophic turbine failure to meet the EU target of 240-450 GW of wind energy by 2050, to increasing public awareness on the importance of wind energy and asset management of aging infrastructures. The host (University of Edinburgh), the supervisor, and the project partners STRATH and the MTC are dedicated to the research and will provide all the necessary equipment, software licenses, and office space so ensure the delivery of the objectives. Furthermore, they will provide training in the required technical and soft skills to prepare the applicant to become a leader in modeling erosion due to particle impact, particle-laden and multiphase flow systems, and more broadly in wind energy.

Mots clés : erosion modeling, peridynamics theory, fluid particle interaction, computational fluid dynamics, discrete element method

Participants :
- University of Edinburgh (Royaume-Uni) — Coordinator, beneficiary, Enseignement supérieur ou secondaire, subvention : 224933.76 €
Projet CrysPINs (Horizon 2020, appel à projets 2017)
Action : Postdoctoral Fellowships - European Fellowships
Panel : Life Sciences
Statut du projet : CLOSED

The main goal of the “CrysPINS” project is to derive a model for the structure of PIN1 protein, starting with a loopless version (PIN1loopless), and optionally other PIN proteins, using techniques of molecular biology, biochemistry and crystallography. Members of PIN family are plant-specific auxin transporters, which play crucial role in plant morphogenesis, development and responses to the environment. Although it is well known that PIN proteins drive polar auxin transport, till nowadays the auxin research community is missing detailed functional and mechanistic models of these enigmatic transporters. My considerable experience from studying auxin metabolism and transport on the cellular and plant level, combined with the expertise at the University of Warwick in auxin recognition and the structural biology of mammalian membrane transporter proteins, makes it timely to move the science forward by a project focussed on the structure of PINs. My vision is that we will be able to develop a detailed molecular map of PINs together with associated pharmacophoric map for their substrates and inhibitors, a goal that will offer me an ideal system for further research focused on PINs auxin substrate specificity and transport capacity. On the way I will expect to reveal how the PINs are energized, and create links with the auxin herbicide industries to explore opportunities for collaborations on agro-pharmaceutical compound design.

Mots clés : pin1 protein, crystal structure, computational model, auxin transport capacity, auxin substrate specificity

Participants :
- University of Warwick (Royaume-Uni) — Coordinator, beneficiary, Enseignement supérieur ou secondaire, subvention : 183454.8 €
Projet CF3-DIAZOMETHYLATOR (Horizon 2020, appel à projets 2017)
Action : Postdoctoral Fellowships - European Fellowships
Panel : Chemistry
Statut du projet : CLOSED

The main goal of this Marie Skłodowska-Curie (MSC) application is to develop a new photocatalytic C–H bond CF3-diazomethylation of aromatic rings with a new class of hypervalent iodine reagents. Our approach is enabled by the photocatalytic generation of a previously elusive electrophilic carbyne radical, which is able to induce C-H bond cleavage. Preliminary results suggest that the proposed transformation will be able to functionalize complex drug molecules and provide valuable CF3-diazomethylated drugs. The useful reactivity of the diazo functional group (C=N2) contained on these molecules will be exploited to develop: (i) a small library of novel tetracycline antibiotics; and (ii) a [18F] labelling process; we aim to provide a robust and simple strategy for the simple synthesis of 18F-fluorinated probes to impact positron emission tomography (PET) imaging. A key strength of this multidisciplinary proposal is the introduction of a secondment phase, in an academic group, to evaluate the [18F] labelling, and a collaboration with a pharmaceutical industry to discover new antibiotics. The development of this project will enable the Experienced Researcher (ER) to become a leader for the next generation in the field of chemical synthesis and (radio)fluorination techniques by using the C-H functionalization logic. The ER will be exposed to a wide range of cutting-edge chemistry and biomedical sciences in two Top European Institutions (ICIQ, CICbiomagune) that will aid the development of his future research programmes as independent researcher. The high impact results expected will be published only in top journals and presented in major international conferences. Ultimately, this MSC application will contribute to enhance EU scientific excellence and allow the applicant to become a leading scientist in synthetic chemistry to impact health care.

Mots clés : photoredox catalysis, radical species, c h functionalization

Participants :
- Institut Català d'Investigació Química (Espagne) — Coordinator, beneficiary, Recherche, subvention : 170121.6 €
Projet H2O-SPLIT (Horizon 2020, appel à projets 2017)
Action : Postdoctoral Fellowships - European Fellowships
Panel : Information Science and Engineering
Statut du projet : CLOSED

The main goal of this project, through which the Experienced Researcher will develop new scientific, entrepreneurial and transferable skills by advanced training, is to develop novel carbon-oxynitride coupled artificial photosynthesis system for solar water splitting beyond 600 nm. As a member of the 600 nm-class photocatalysts family, BaTaO2N has recently demonstrated the solar-to-hydrogen conversion efficiency of 0.7% at 1.0 VRHE. To further enhance the conversion efficiency and photostability of BaTaO2N for future application, the present project challenges the modern scientific-engineering concepts for coupling BaTaO2N with universal, inexpensive, and unique carbon allotropes. Can all carbon allotropes be integrated to form efficient, inexpensive, photostable, and scalable artificial photosynthesis system for solar water splitting beyond 600 nm? To give an answer, the this project has four scientific objectives: (i) to engineer the band structure of BaTaO2N by p-type doping for overall water splitting; (ii) to study the dimensional effect of carbon allotrope (0D-fullerene, 1D-nanotubes, 2D-graphene, and 3D-nanohorns) on solar water splitting of BaTaO2N; (iii) to evaluate solar water splitting efficiency, photo-stability, and scalability of the carbon-BaTaO2N composite; and (iv) to design a monolithically integrated photocatalyst module (device) based on the most suitable carbon allotrope and doped BaTaO2N. Having strong fundamental, applied, and multidisciplinary nature, this project has a potential capacity to raise the competitiveness and excellence of the European Photocatalysis Science and Technology. As today Europe continues to lead the world on climate action with its roadmap to moving to a competitive low-carbon economy by 2050, this project focusing on efficient, inexpensive and sustainable production of renewable hydrogen energy by solar water splitting is in line with EU’s climate action and will contribute to the knowledge-based economy of Europe.

Mots clés : photocatalysis, oxynitrides, carbon allotrope, water splitting, hydrogen generation, flux crystal growth, photocatalytic actvity, photoelectrochemical performance, solar energy conversion

Participants :
- Technische Universität Berlin (Allemagne) — Coordinator, beneficiary, Enseignement supérieur ou secondaire, subvention : 171460.8 €
Projet MCAPEFA (Horizon 2020, appel à projets 2020)
Action : Postdoctoral Fellowships - European Fellowships
Panel : Information Science and Engineering
Statut du projet : SIGNED

The main goal of this proposal is improving the adoption of precision farming in small farms. Small farms share 67% of all farms in the EU, and small farmers need to adopt digital technology to get efficient and resource-friendly sustainable farming. Unfortunately, adoption of that technology is relatively low, especially with small filed sizes, due to large initial cost of necessary equipment. This research will overcome the financial barrier with the development of a new low-cost multispectral camera. The main hypothesis is that, contrary to the common commercial solution, the multispectral camera can be achieved using combinations of camera's spectral response and spectral response of the triple-band filter. This idea is a new approach to multispectral imaging. Designed low-cost multispectral camera together will thermal imaginer will be mounted on a drone and a few farms will be monitored during one agricultural season. Acquired data will be the basis for developing an algorithm for classifying the state of the plants. After classification, a designed decision support system will suggest appropriate agricultural activity in the field. All previous results will be unified in smartphone applications with a friendly user interface. This research will provide infrastructure for wider adoption of precision farming, which is crucial for maximizing production and quality, the efficiency of nitrogen use and minimizing environmental pollution, especially due to nitrate contamination of drinking water and aquatic ecosystems.

Mots clés : multispectral camera, precision farming, machine vision, agricultural monitoring, optical filters, spectral, response estimation, thermal camera, multitemporal data analysis, smartphone apps

Participants :
- University of Trento (Italie) — Coordinator, beneficiary, Enseignement supérieur ou secondaire, subvention : 183473.28 €
Projet Tuning COPs (Horizon 2020, appel à projets 2016)
Action : Postdoctoral Fellowships - European Fellowships
Panel : Chemistry
Statut du projet : CLOSED

The main goal of this proposed project is the synthesis of new hybrid π-conjugated polymers for industrial use, which conductive and optical properties could be fine tuneable by the proper anionic metallacarboranes as doping agents. To achieve our goals two directions were chosen. In the first part we would like to investigate the effect of different boron clusters ([Co(C2B9HnX11-n)2]- X=Cl, Br, I) as doping agents on the conductive and photoluminescence properties of the poly(3,4-ethylenedioxythiophene) (PEDOT). Preliminary results suggest that the earlier used [Co(C2B9H11)2]- doping anion is redoxactive, thus it has a big influence on the formation and the properties of the polymer. Our expectation is that the halogen analogues ([Co(C2B9HnX11-n)2]-=Cl, Br, I) cover a wide range of redoxpotential, thus we can easily modify the properties of the new materials. During the second part we would like to tune both the conductive and photoluminescence properties of the poly(p-phenylene vinylene) (PPV). For this purpose different co-polymer planed to synthetized, which containing different amount of non-doped and self-doped monomer units. (In case of the self-doped polymer the doping anion is covalently linked to the monomer unit). We expect that the ratio of the non-doped and the self-doped has a strong influence both the conductive and photoluminescent properties, moreover the two different properties will be altered by the inclusion of functional side groups.

Mots clés : conductive organic polymers, doping agents, photoluminescence material

Participants :
- Spanish National Research Council (Espagne) — Coordinator, beneficiary, Recherche, subvention : 170121.6 €