Magnetoelectric (ME) multiferroics (MFs), materials that can combine ferromagnetism and ferroelectricity, are strong candidates for a wide range of novel hybrid technological applications, such as sensing, energy harvesting, data storage, magnonics, and spintronics, to name a few. Most importantly, the ability to manipulate the magnetization by electric fields leads to simple, cost-effective and energetically sustainable technological strategies. Despite the great efforts of the MF scientific community, the origin of the ME coupling in a series of MF materials still remains ambiguous. Experimental findings may frequently be inconclusive and misinterpreted; therefore a solid theoretical approach is essential for developing further insights in the fundamental physics hidden behind magnetoelectricity. Ni3TeO6 champions both the static and dynamical ME effects among the single-phase MFs. In pursuit of new spin-induced MFs, resembling the celebrated Ni3TeO6, we propose the investigation of a series of compounds of the form M3TeO6 (M=Ni, Mn, Co), with a combination of mixed-valence transition metal anions on the M-site, by employing a combination of first principles calculations of spin dynamics together with experimental spectroscopic investigation. The researcher has experience in spectroscopic techniques for ME MFs, background in first principles calculations, and aims at training in the field of first principles calculations for spin dynamics. The supervisor Prof. Sanvito is an expert in ab initio predictions with atomistic spin dynamics. EMAGICS’ target is to unveil the underlying mechanisms that lead to the enhancement of the ME MF properties, as well as possibly increase the critical temperatures in favour of the applications. Thereafter, EMAGICS will be able to propose the synthesis of new compounds of the family M3TeO6, with a combination of mixed-valence transition metal anions on the M-site, and experimentally explore possible MF performance.

This proposal seeks to solve the high-resolution X-ray crystal structure of full-length Cystic Fibrosis Transmembrane Conductance Regulator (CFTR), an anion channel which regulates chloride ion concentration at the lumen-exposed surface of epithelial cells. Mutations of the CFTR gene cause cystic fibrosis (CF), a lethal disease which results in bowel obstruction, lung disease and premature death. CFTR is an ATPase and a member of the ATP-Binding Cassette (ABC) transporter family of proteins which has an allosteric Regulatory (R) domain not found in other ABC transporters. From the structure of CFTR, its mode of action will be revealed, focusing on the two sites of ATP hydrolysis and key residues for channel gating. CFTR will be crystallized alone and in the presence of the pharmacological agent Kalydeco, a small molecule from Vertex Pharmaceuticals that is used for the treatment of CF and reduces CF symptoms. The initial high-resolution X-ray crystal structure is a foundation from which personalized drug design work can begin. Therefore, the Kalydeco-CFTR complex structure will be used for ligand optimization of Kalydeco, an iterative process which will improve Kalydeco’s specificity and pharmacokinetics. The latest technology, including in meso in situ serial crystallography and X-ray free electron lasers for serial femtosecond crystallography will be used as well as traditional synchrotron X-ray sources. These Actions use an interdisciplinary mix of crystallography, chemistry, biochemistry, biophysics and computational structural determination programs. The work will take place in Ireland in the lab of Dr. Martin Caffrey at Trinity College Dublin, a distinguished researcher in the field of membrane structural and functional biology. The prestigious Marie Skłodowska-Curie fellowship will enable the candidate to actualize many objectives outlined in her career development plan in order to become an independent researcher.

The formation of the Archean lithosphere was a key event in Earth history, resulting in the construction of the first continents, or cratons. The lithosphere formed by extensive mantle melting, however, there are conflicting models for the environment in which melting took place. Efforts to understand the formation of the cratonic lithosphere are hampered by a lack of quantitative information on the depth of mantle melting and the original thickness of the Archean lithosphere. Exsolved orthopyroxenes within peridotite xenoliths and silicate inclusions in diamond hold the key to constraining these critical parameters. We will reconstruct the original compositions of an extensive collection of exsolved orthopyroxenes and use our recently published thermodynamic model to calculate their formation pressures and temperatures. This innovative approach will reveal the depth extent of Archean melting. We will provide the first constraints on the vertical extent of the lithosphere in the Archean using geothermal gradients calculated from dated diamond inclusions. To achieve this, we will perform cutting edge laser ablation U-Pb dating of garnet inclusions, this challenging application has yielded promising results for xenolithic garnet. Observations will be complemented by new experiments using fertile, depleted and silica-enriched compositions, coupled with with thermodynamic modelling, which will lead to a better understanding of phase relations during peridotite melting. The origin and significance of silica enrichment is poorly understood. We will conduct melt-rock reaction experiments to test the hypothesis that silica addition occurred via interaction with ascending komatiite melt. We will thus address several fundamental issues: the depth of Archean mantle melting; the origin of silica enrichment; and the link between cratonic peridotite and komatiite magma. LITHO3 will provide unprecedented insight into the formation and evolution of the cratonic lithosphere.

The genetic threads of goat, cattle and sheep ancestry have been woven by human breeding, environmental pressures, hybridisation and the chance effects of genetic drift. The ancestral weaves of these key animals intertwine with human creativity in the most profoundly innovative episodes of the human past. Three broad episodes of particular import were: initial domestications circa 11 kya in Southwest Asia; the intensification circa 6 kya of use of those animal products which are harvested without killing such as wool, milk and traction; and the development of exceptionally productive landraces, later formalized into breeds, in recent millennia. However, each of these is loosely defined in time and space, the key traits are often osteologically invisible, and the vectors of causality in their virtuous cycles of gene-economy innovation are completely unknown. A combination of high coverage ancient whole genome data coupled with new analysis methods that allow efficient computation of genomewide locus genealogies will be used to untangle the threads of ancestry in sheep, cattle and goat across the whole genome in these transformative phases. Combining these with additional low coverage genomes generated from less preserved samples will generate a total set of 1,000 ancient animal genomes. These data will be unprecedented and will allow tracking of selection at trait genes, in order to detect human agency in breeding and, in collaboration with archaeologist partners, asking are there periods and places where threads of innovation coalesce. The project will also use ancient epigenetics to explore archaeological variation in gene activation patterns and will seek to understand the problematic build up of harmful mutations that threaten livestock today. With cognate disciplines, it will compare signals of animal mobility identifying distinct genetic strata correlating with archaeological horizons and affording the prospect of DNA-dating in future excavation.