Intertwined Rashba, Dirac and Weyl Fermions in Hexagonal Hyperferroelectrics

By means of density functional theory based calculations, we study the role of spin-orbit coupling in the new family of ABC hyperferroelectrics [Phys. Rev. Lett. 112, 127601 (2014)]. We unveil an extremely rich physics strongly linked to ferroelectric properties, ranging from the electric control of bulk Rashba effect to the existence of a three dimensional topological insulator phase, with concomitant topological surface states even in the ultrathin film limit. Moreover, we predict that the topological transition, as induced by alloying, is followed by a Weyl semi-metal phase of finite concentration extension, which is robust against disorder, putting forward hyperferroelectrics as promising candidates for spin-orbitronic applications.Comment: 5 pages, 3 figure

Application of effect-based methods (EBMs) in a river basin: a preliminary study in Central Italy

Introduction. Effect-based methods (EBMs), i.e. in vitro and in vivo bioassays, represent innovative tools for the effect detection of environmental chemical pollutants on living organisms. The aim of this study was to evaluate the water quality of a river ecosystem implementing two in vivo bioassays on target freshwater animal species: the crustacean Daphnia magna and the small fish Danio rerio, also known as zebrafish.Materials and methods. The methods applied in this study, i.e. the Daphnia sp. Acute Immobilisation assay and the Fish Embryo Acute Toxicity (FET) test, are commonly used in water quality research and their application in short-term ecotoxicity detection is suggested by recent European projects. Two sampling sites were chosen in the urban part of the Tiber River in Rome, while a third one was chosen as a reference site in the Farfa River, a tributary upstream of the city. The sites in the Tiber River are potentially affected by different pollution sources, including urban and industrial wastewater discharges, the pesticide release, livestock waste products, and waste dumps.Results and discussion. The results of the study showed wide differences between the two applied bioassays. The FET test was generally more sensitive in detecting even low effects in all the water samples, but the strongest statistically results were observed with the D. magna Acute Immobilisation test. The results of this research confirm the effectiveness of EBMs in investigating and monitoring water chemical pollution, and stress the need for performing further studies, e.g. chemical analyses and other bioassays, to improve the knowledge of the health status of the Tiber River basin.Conclusions. Further results will aim to support the local authorities in adopting measures to reduce and to eliminate the sources of chemical pollution in the study area

Momentum for Catalysis: How Surface Reactions Shape the RuO2 Flat Surface State

The active (110) surface of the benchmark oxygen evolution catalyst RuO2 spans a flat-band surface state (FBSS) between the surface projections of its Dirac nodal lines (DNLs) that define the electronic properties of this functional semimetal. Monitoring well-known surface adsorption processes of H2, O2, NO, and CO by in operando angle-resolved photoemission spectroscopy, we selectively modify the oxidation state of individual Ru surface sites and identify the electronic nature of the FBSS: stabilized by bridging oxygen Obr pz, the FBSS disperses along ⟨001⟩ oriented chains of bridging Rubr 4dz2 orbitals, collapses upon Obr removal, yet remains surprisingly unaffected by the oxidation state of the undercoordinated 1f-cus-Ru species. This directly reflects in the ability of RuO2(110) to oxidize CO and H2 along with its inability to oxidize NO, demonstrating the FBSS’s active role in catalytic charge transfer processes at the oxygen bridge sites. Our synergetic approach provides momentum-resolved insights to the interplay of a catalyst’s delocalized electronic band structure and the localized orbitals of its surface reactantsa route toward a microscopic understanding of heterogeneous catalysis

Empirical experiments on intrinsic motivations and action acquisition: results, evaluation, and redefinition

This document presents Deliverable D3.2 of the EU-funded Integrated Project "IM-CLeVeR - Intrinsically Motivated Cumulative Learning Versatile Robots", contract n. FP7-ICT-IP-231722.The aims of the deliverable, as given in the original IM-CLEVER proposal were to identify new key empirical phenomena and processes, allowing the design of a second set of experiments. This report covers: (1) novelty detection and discovery of when/what/how of agency in experiments with humans ("joystick experiment") and Parkinson patients. (2) how object properties that stimulate intrinsically motivated interaction and facilitate the acquisition of adaptive knowledge and skills in monkeys and children ("board experiment")

An expanded evaluation of protein function prediction methods shows an improvement in accuracy

Background: A major bottleneck in our understanding of the molecular underpinnings of life is the assignment of function to proteins. While molecular experiments provide the most reliable annotation of proteins, their relatively low throughput and restricted purview have led to an increasing role for computational function prediction. However, assessing methods for protein function prediction and tracking progress in the field remain challenging. Results: We conducted the second critical assessment of functional annotation (CAFA), a timed challenge to assess computational methods that automatically assign protein function. We evaluated 126 methods from 56 research groups for their ability to predict biological functions using Gene Ontology and gene-disease associations using Human Phenotype Ontology on a set of 3681 proteins from 18 species. CAFA2 featured expanded analysis compared with CAFA1, with regards to data set size, variety, and assessment metrics. To review progress in the field, the analysis compared the best methods from CAFA1 to those of CAFA2. Conclusions: The top-performing methods in CAFA2 outperformed those from CAFA1. This increased accuracy can be attributed to a combination of the growing number of experimental annotations and improved methods for function prediction. The assessment also revealed that the definition of top-performing algorithms is ontology specific, that different performance metrics can be used to probe the nature of accurate predictions, and the relative diversity of predictions in the biological process and human phenotype ontologies. While there was methodological improvement between CAFA1 and CAFA2, the interpretation of results and usefulness of individual methods remain context-dependent. Keywords: Protein function prediction, Disease gene prioritizationpublishedVersio

An Expanded Evaluation of Protein Function Prediction Methods Shows an Improvement In Accuracy

Background: A major bottleneck in our understanding of the molecular underpinnings of life is the assignment of function to proteins. While molecular experiments provide the most reliable annotation of proteins, their relatively low throughput and restricted purview have led to an increasing role for computational function prediction. However, assessing methods for protein function prediction and tracking progress in the field remain challenging. Results: We conducted the second critical assessment of functional annotation (CAFA), a timed challenge to assess computational methods that automatically assign protein function. We evaluated 126 methods from 56 research groups for their ability to predict biological functions using Gene Ontology and gene-disease associations using Human Phenotype Ontology on a set of 3681 proteins from 18 species. CAFA2 featured expanded analysis compared with CAFA1, with regards to data set size, variety, and assessment metrics. To review progress in the field, the analysis compared the best methods from CAFA1 to those of CAFA2. Conclusions: The top-performing methods in CAFA2 outperformed those from CAFA1. This increased accuracy can be attributed to a combination of the growing number of experimental annotations and improved methods for function prediction. The assessment also revealed that the definition of top-performing algorithms is ontology specific, that different performance metrics can be used to probe the nature of accurate predictions, and the relative diversity of predictions in the biological process and human phenotype ontologies. While there was methodological improvement between CAFA1 and CAFA2, the interpretation of results and usefulness of individual methods remain context-dependent