Data-Gouv-ML/pcri-informations-sur-les-projets-laureats huggingface dataset:
VASPT2: a method for targeted quantum dynamics of hydrogen transfer reactions (VASPT2)

Framework: FP7 — People
Programme: Marie-Curie Actions
Theme: Marie Skłodowska-Curie
Destination: International Incoming Fellowships
Action type: Support for training and career development of researchers (Marie Curie)
Countries involved: United Kingdom
Call:  (FP7-PEOPLE-2011-IIF, 2011)
Start date: 2012-05-01
End date: 2014-04-30
Duration (months): 24.0
Total project cost (EUR): 200371.8
EU funding (EUR): 200371.8
Participants: 1
Project status: CLOSED

In this proposal, we develop a cutting-edge computational tool for simulating molecular dynamics at the quantum level that will be applied to understand the dynamics of various chemical phenomena, especially for hydrogen-transfer reactions. Hydrogen-transfer reactions are one of the most basic elementary chemical reactions, and play vital roles in a number of industrially or biologically intriguing systems. Despite their importance, experimental studies of hydrogen-transfer reactions have faced several difficulties. Experimentally, it is difficult to observe hydrogen-transfer reactions directly, owing to their short time scale. In addition, the analysis of experimental results is often challenging, because the current interesting systems are usually large systems (e.g., enzymes). There is thus a strong demand for computational software that can accurately simulate hydrogen-transfer reactions. At this moment, all existing molecular dynamics methods do not satisfy this demand. The methods that can precisely describe hydrogen-transfer reactions are only applicable for small systems. Others suffer from unreliability owing to neglected or approximated quantum effects. In this context, we propose a novel ab initio vibrational wave-function theory to describe general chemical reactions in large molecules with a conclusive accuracy. We call this the Vibrational Active Space Second-order Perturbation Theory (VASPT2). This method exploits a variational method for strong quantum effects among small degrees of freedom, and employs a perturbative method for weak quantum effects in a whole system to achieve quantitative results. The proposed method compromises the applicability and reliability (accuracy) by a well-balanced manner. As an application of this method, we will describe the hydrogen-transfer reaction of AADH (aromatic amine dehydrogenase) to answer the question how quantum tunneling effects are important in enzymes.

Keywords: physical sciences,chemistry,computational chemistry,enzimology,biochemistry,biological sciences,quantum chemistry,reaction mechanisms ands dynamics,chemical physics
Non-Additive Axiomatic Models of Strategic Interaction (NAAMSI)

Framework: FP7 — People
Programme: Marie-Curie Actions
Theme: Marie Skłodowska-Curie
Destination: Intra-European Fellowships
Action type: Support for training and career development of researchers (Marie Curie)
Countries involved: France
Call:  (FP7-PEOPLE-2011-IEF, 2011)
Start date: 2012-09-01
End date: 2014-08-31
Duration (months): 24.0
Total project cost (EUR): 201932.4
EU funding (EUR): 201932.4
Participants: 1
Project status: CLOSED

The aim of this project is twofold: (1) to provide an in-depth logical and axiomatic study of notions of expected utility based on non-additive measures of uncertainty, and (2) to apply this study to the investigation of alternative theories of non-cooperative games. Probability Theory is the most common model in the formalization of approximate reasoning in Computer Science and Artificial Intelligence, and offers the formal basis for a theory of decision and games through the concept of expected utility. However, many situations in which inference under uncertainty is required cannot be properly formalized within the probabilistic framework. For this reason, other measures of uncertainty have been introduced, the most notable ones being non-additive measures such as imprecise probabilities, belief functions, and possibility and necessity measures. The first part of this research aims at introducing many-valued logical systems to axiomatize, represent and reason about notions of expected utility based on non-additive uncertainty measures. This novel approach will allow to encode measure-theoretic and computational properties of non-probabilistic theories of decision in a purely logical framework. The second part aims at investigating the fundamental notions of a theory of games based on the above characterizations of non-probabilistic notions of expected utility. The goal is to define the basic concepts and investigate the main mathematical properties of n-person non-cooperative games with complete and incomplete information, relying on forms of expected utility based on non-additive plausibility measures. This research aims at developing cutting-edge investigation in the formalization of reasoning and decisions with uncertain information, by using uncertainty models alternative to probability theory. This will provide new foundations to theories of decision and strategic interaction that will have significant impact on other fields of research.

Keywords: non-additive measures,many-valued logics,expected utility,game theory
The role of the basal forebrain in attention and learning (NBATTENTION)

Framework: FP7 — People
Programme: Marie-Curie Actions
Theme: Marie Skłodowska-Curie
Destination: International Outgoing Fellowships
Action type: Support for training and career development of researchers (Marie Curie)
Countries involved: Hungary
Call:  (FP7-PEOPLE-2011-IOF, 2011)
Start date: 2013-01-01
End date: 2015-12-31
Duration (months): 36.0
Total project cost (EUR): 253191.6
EU funding (EUR): 253191.6
Participants: 1
Project status: CLOSED

The basal forebrain (BF) constitutes a major neuromodulatory center, providing extensive projections to the entire forebrain, including all of cortex. Mounting evidence demonstrates that these projections play a key role in cognitive functions, including learning and attention. Damage or deterioration of BF in humans leads to severe cognitive impairments, such as dementia and executive dysfunction. Given the association of BF with higher cognitive functions and a host of disease states, surprisingly little is known about how it accomplishes these intricate tasks. This is largely due to technical challenges because BF neurons expressing the neuromodulatory transmitter acetylcholine are intermingled with a parallel inhibitory (GABAergic) projection system within a confined anatomical area and traditional techniques do not allow separating these two projection systems in behaving animals. The Kepecs group at CSHL have two techniques that are uniquely suitable to tackle this challenge. First, they successfully adapted the quantitative psychophysical methods of primate neuroscience—the current gold standard in research on the neural mechanisms of cognition—for use in mice, enabling us to employ molecular-genetic tools. Second, they developed an “optogenetic tagging” technique to selectively record from and control genetically identified neurons. With these methods I propose to study how different BF subsystems support sustained attention and spatial learning. I will record from identified BF neurons to establish the moment-to-moment correlation between neural activity and behavioral measures (e.g. reaction time). Gaining control over identified neurons at high temporal precision will also enable me to establish their necessity and sufficiency for behavioral functions on a trial-to-trial basis. Learning and transferring these cutting-edge techniques to Hungary will benefit both my return host laboratory and enable me to transition to an independent researcher position.

Keywords: neurophysiology,brain research,cognitive functions,attention,basal forebrain,cholinergic system,alzheimer's disease
Intrinsic Catalytic Kinetics Analyzed and Reconciled with Industrial Conditions (ICKARUS)

Framework: FP7 — People
Programme: Marie-Curie Actions
Theme: Marie Skłodowska-Curie
Destination: International Incoming Fellowships
Action type: Support for training and career development of researchers (Marie Curie)
Countries involved: Belgium
Call:  (FP7-PEOPLE-2011-IIF, 2011)
Start date: 2012-03-01
End date: 2014-02-28
Duration (months): 24.0
Total project cost (EUR): 169800.0
EU funding (EUR): 169800.0
Participants: 1
Project status: CLOSED

Catalytic propane dehydrogenation is the most important alternative route to propylene, the world’s second largest petrochemical commodity. We will study this reaction over novel bimetallic Pt-Ga catalysts which demonstrate improved resistance to coking. Specific research objectives of the project are: 1) perform a comprehensive investigation of propane dehydrogenation over the Pt-Ga catalysts, including the main catalytic cycle, side-reactions, and deactivation pathways, 2) determine how gallium doping and its method of introduction to platinum control catalytic properties, and 3) formulate and validate a microkinetic model suitable for describing the propane dehydrogenation reaction over the Pt-Ga catalysts under realistic operating conditions. We will employ advanced experimental techniques of transient kinetics and operando spectroscopies to study intrinsic reaction kinetics over a wide pressure range, linking detailed molecular mechanisms elucidated at low pressure to catalyst performance at industrially relevant atmospheric pressure. The project will include development of an extended Temporal Analysis of Products (exTAP) methodology for a systematic kinetic characterization of both technical and model catalysts which will have a broad scientific impact by providing a general strategy for bridging the 'pressure gap' in catalytic research.

Keywords: catalysis,reaction engineering,propane dehydrogenation,transient kinetic characterization,operando spectroscopy,reaction mechanism,bridging the 'pressure gap'
Functional connectivity and the role of hub neurons in epilepsy (HUBS IN EPILEPSY)

Framework: FP7 — People
Programme: Marie-Curie Actions
Theme: Marie Skłodowska-Curie
Destination: International Incoming Fellowships
Action type: Support for training and career development of researchers (Marie Curie)
Countries involved: France
Call:  (FP7-PEOPLE-2011-IIF, 2011)
Start date: 2012-03-01
End date: 2014-02-28
Duration (months): 24.0
Total project cost (EUR): 201932.4
EU funding (EUR): 201932.4
Participants: 1
Project status: CLOSED

Determining the functional structure of neuronal networks has become an increasingly important tool to link functional and anatomical network structure. Recently, the analysis of functional network structure in the developing rodent hippocampus revealed the presence of highly connected, functional “hub neurons” with the ability to greatly influence synchronous network activity. Additionally, these developmental hub neurons were shown to be early born neurons with an impressive anatomical structure which is conserved in adulthood. Furthermore, computational modeling has predicted the importance of anatomical hub neurons in the development of synchronous epileptiform activity. Here, we therefore propose to study the relationship between functional and anatomical network structure in a chronic model of temporal lobe epilepsy in order to link changes in network structure with the development of synchronous epileptiform neuronal dynamics. Specifically, we plan to use multi-beam two-photon imaging to study acute slices under healthy and pathological conditions using the pilocarpine mouse model of temporal lobe epilepsy. To achieve this goal, we propose two complimentary methods to determine the role of network structure and hub neurons in the development of pathological neuronal activity: 1) The construction and analysis of functional network structure from imaged calcium dynamics of the dentate gyrus in both healthy and pathological tissue, and 2) The direct observation of the impact of developmental hub neurons on network dynamics in epileptic tissue obtained from transgenic mice whose early born hub neurons have been labeled with GFP.

Keywords: neurosciences,network structure,epilepsy
Migration and Temporary Agency Work in the EU welfare, tourist and agricultural sectors (JOBS TO RENT)

Framework: FP7 — People
Programme: Marie-Curie Actions
Theme: Marie Skłodowska-Curie
Destination: Intra-European Fellowships
Action type: Support for training and career development of researchers (Marie Curie)
Countries involved: United Kingdom
Call:  (FP7-PEOPLE-2011-IEF, 2011)
Start date: 2012-10-01
End date: 2014-10-22
Duration (months): 24.0
Total project cost (EUR): 209033.4
EU funding (EUR): 209033.4
Participants: 1
Project status: CLOSED

Migrants constitute the most significant pool of workers at the disposal of the EU member states that wish to expand flexible forms of labour in order to meet the demands of their increasingly ageing and diverse population. They usually fit best the profile of the poor and vulnerable segments of society that would readily take the low status, low pay jobs, yet their freedom of movement towards (and within) the EU labour markets is restricted by inflexible migration policy regimes leaving the space open to a wide array of social networks to construct pathways of entry. Interdisciplinary research touching on the issue of the migrants’ integration in host societies has indicated so far that the ways migrants enter the host country are somehow related with the work opportunities and conditions they experience. This project aims to systematically investigate the factors determining the forms of temporary agency work in specific economic sectors. The key contribution of the proposed study from a conceptual perspective is that it tackles issues having to do with the socioeconomic context of work and its organisation as well as questions related to the socio-political framing of the (migrant) worker’s mobility. From an empirical and policy-related perspective, the significance of this research project consists in addressing the question of temporary agency work in a comparative setting across labour markets with different settings of work and across two EU countries experiencing different and managing differently migration flows.

Keywords: sociology of labour,migration studies,policy studies,labour market studies
Solid-state Nuclear Magnetic Resonance (NMR) Spectroscopy studies of silicon anodes for Lithium-ion batteries (NMRSILION)

Framework: FP7 — People
Programme: Marie-Curie Actions
Theme: Marie Skłodowska-Curie
Destination: Intra-European Fellowships
Action type: Support for training and career development of researchers (Marie Curie)
Countries involved: United Kingdom
Call:  (FP7-PEOPLE-2011-IEF, 2011)
Start date: 2012-03-01
End date: 2014-02-28
Duration (months): 24.0
Total project cost (EUR): 209033.4
EU funding (EUR): 209033.4
Participants: 1
Project status: CLOSED

The dwindling sources of fossil fuels and rapidly rising CO2 levels necessitate a much more efficient use of energy. Better energy storage technology is especially needed if renewable sources of energy are to be used widely. Lithium-ion batteries are the most promising answer so far, but more demanding applications such as electrical vehicles or home powering require substantial increase in storage capacity and charge rates. Characterisation of actual and promising novel materials is of critical importance towards this goal, as better understanding of their mechanism will have direct impact on the optimisation and development of such materials for energy storage. I propose to work on one of the most promising material for negative electrodes in lithium-ion batteries, silicon. The goal is to determine the structural changes that occur inside the electrode and to study the reactions arising on the surface. The studies will be performed using a combination of sophisticated solid-state Nuclear Magnetic Resonance (NMR) methods and state-of-the-art periodic DFT calculations. New methods will be developed for ex-situ NMR initially, with the long-term objective of adapting them to the in-situ NMR design in the world-specialist laboratory (host laboratory). The in-situ setup makes it possible to study batteries in real time during charge and discharge by NMR, thereby capturing transient transformations that can be missed by ex-situ studies. Via the proposed research programme, I will bring expertise in new NMR methodologies to the Cambridge laboratory and I will at the same time learn new skills in the area of materials chemistry and battery technology.

Keywords: physical sciences,analytical chemistry,spectrochemistry,solid-state nuclear magnetic resonance,inorganic chemistry,electrochemistry,lithium-ion battery,silicon anode,chemical physics
Controls on Megathrust Earthquake Segmentation (QUAKESEG)

Framework: FP7 — People
Programme: Marie-Curie Actions
Theme: Marie Skłodowska-Curie
Destination: Intra-European Fellowships
Action type: Support for training and career development of researchers (Marie Curie)
Countries involved: United Kingdom
Call:  (FP7-PEOPLE-2011-IEF, 2011)
Start date: 2012-05-01
End date: 2014-04-30
Duration (months): 24.0
Total project cost (EUR): 200371.8
EU funding (EUR): 200371.8
Participants: 1
Project status: CLOSED

Great subduction earthquakes (with a moment Magnitude of Mw >8) rupture an area of a few thousand square kilometres along a convergent continental margin with coseismic slip up to some tens of meters. However, at certain locations along the continental margin earthquake rupture is suddenly arrested. The spatial extent of the rupture area controls the magnitude of the earthquake and therefore its destructiveness. The recent powerful megathrust earthquakes in Sumatra (2004, 2005), Chile (2010) and Japan (2011) showed that the factors that control extent and limitations of rupture during such earthquakes are highly complex and thus only poorly understood at the moment. This holds true, although the phenomenon of earthquake segmentation has been observed for decades and in spite of the socio-economic impact of this type of earthquake and their associated tsunamis. The overall aim of this project is to increase the understanding of factors that control the area and extent of earthquake rupture and by this also the magnitude of the earthquake. Marine seismic and bathymetry data across earthquake segment boundaries worldwide will be analyzed in order to document structural and morphological variations of the upper overriding and the lower subducting plate which impact on or reflect changes in the physical properties of the plate interface and thus control earthquake segmentation. The output will be an improved understanding of earthquake segmentation at active continental margins. This, in turn, is beneficial for global hazard assessment and mitigation efforts in regions that expect powerful subduction earthquakes in the future.

Keywords: tectonics,earthquakes,geophysics,subduction zones,seismic segmentation
Fluid Management component improvement for Back up fuel cell systems (FLUMABACK)

Framework: FP7 — Cooperation
Programme: Joint Technology Initiatives (Annex IV-SP1)
Theme: Public-private partnerships
Destination: Fuel Cells and Hydrogen
Action type: Collaborative project
Partnership: FCH (Art-185)
Countries involved: Slovenia,Italy,Spain,Netherlands,European organisations area,Italy
Call:  (FCH-JU-2011-1, 2011)
Start date: 2012-07-01
End date: 2015-06-30
Duration (months): 36.0
Total project cost (EUR): 3999005.8
EU funding (EUR): 2482969.2
Participants: 10
Project status: CLOSED

The FluMaBack (Fluid Management component improvement for Back up fuel cell systems) project aims at improving the performance, life time and cost of balance of plant (BOP) components of back up fuel cell systems specifically developed to face back-out periods of around 1,000h/year for specific markets: USA, Africa and North Europe where hard operative conditions are present (high and low temperatures). The improvement of system components addressed in this project will benefit both back-up and CHP applications. The project focuses on new design and improvement of BOP components for utilization in PEMFC based stationary power applications, aimed at: - improving BOP components performance, in terms of reliability; - improving the lifetime of BOP component both at component and at a system level; - reducing cost in a mass production perspective; - simplifying the manufacturing/assembly process of the entire fuel cell system. While in recent years the performance and durability of the PEMFC have increased and the cost has decreased at the same time, performance, durability and costs of BOP components have basically stayed the same. So, for improvements on performance, durability and cost of the fuel cell system, R&D dedicated on BOP components have become essential. The project is focussed on the most critical BOP components with the largest potential for performance improvement and cost reductions: - Air and fluid flow equipments, including subcomponents and more specifically blower and recirculation pumps - Humidifier - Heat exchanger Specific targets in terms of efficiency, lifetime and cost have been pointed out for each BOP component to be developed. The project will have a duration of 3 years to guarantee the achievement of all project targets. The consortium consists of large and small entities which are R&D centres, BoP components developers and manufacturers, fuel cells stack and fuel cell system developers and manufacturers. Partners are located throughout the EU: Italy, Spain, The Netherland and Slovenia.

Keywords: bop components,fluid management system,fuel cell system
Protecting against obesity-induced chronic kidney disease using pro-resolving lipids (SOLVING CKD)

Framework: FP7 — People
Programme: Marie-Curie Actions
Theme: Marie Skłodowska-Curie
Destination: International Outgoing Fellowships
Action type: Support for training and career development of researchers (Marie Curie)
Countries involved: Ireland
Call:  (FP7-PEOPLE-2011-IOF, 2011)
Start date: 2012-07-01
End date: 2015-06-30
Duration (months): 36.0
Total project cost (EUR): 267726.9
EU funding (EUR): 267726.9
Participants: 1
Project status: CLOSED

This project will explore the therapeutic potential of pro-resolving lipids in obesity-induced chronic kidney disease (CKD). The experienced researcher is Dr. Emma Börgeson and the mentors are Prof. Kumar Sharma (outgoing, University of California San Diego, USA) and Prof. Catherine Godson (return, University College Dublin, Ireland). ‘The epidemic of obesity poses one of the most serious public health challenges in the WHO European Region’ (WHO, 2006). Obesity is associated with chronic systemic low-grade inflammation. Failure to resolve this inflammation leads to development of associated complications such as CKD. The resolution of inflammation is actively regulated by endogenous pro-resolving lipid mediators, e.g. lipoxins (LXs) and resolvins (Rvs). We hypothesise that 1) Pro-resolving lipids prevent obesity-induced adipose inflammation and thereby subvert kidney disease, 2) Humans developing obesity-related pathologies have impaired endogenous production of pro-resolving lipids. To investigate this we will assess the protective effects of pro-resolving lipids in animal models of obesity-induced kidney disease and elucidate the cellular signalling pathways involved (outgoing phase). We will correlate our findings to human obesity and investigate if development of obesity-related pathologies reflects an impairment of endogenous production of LXs and Rvs (return phase). The synergy between Prof Sharma (expertise; obesity, CKD) and Prof Godson (expertise; inflammation, CKD) will provide a unique research opportunity to combine state of the art facilities and innovative research methodology. Dr. Börgeson will acquire significant technical skills, an international network as well as management, teaching and outreach experience. The fellowship will enhance her ability to secure a future career in European biomedical research.

Keywords: obesity,chronic diseases,kidney disease,resolution of inflammation,immunology,lipoxin,resolvins,health sciences