Spin-dependent beating patterns in thermoelectric properties: Filtering the carriers of the heat flux in a Kondo adatom system

We theoretically investigate the thermoelectric properties of a spin-polarized two-dimensional electron gas hosting a Kondo adatom hybridized with an STM tip. Such a setup is treated within the single-impurity Anderson model in combination with the atomic approach for the Green's functions. Due to the spin dependence of the Fermi wavenumbers the electrical and thermal conductances, together with thermopower and Lorenz number reveal beating patterns as function of the STM tip position in the Kondo regime. In particular, by tuning the lateral displacement of the tip with respect to the adatom vicinity, the temperature and the position of the adatom level, one can change the sign of the Seebeck coefficient through charge and spin. This opens a possibility of the microscopic control of the heat flux analogously to that established for the electrical current

Ultrafast charge transfer and vibronic coupling in a laser-excited hybrid inorganic/organic interface

Hybrid interfaces formed by inorganic semiconductors and organic molecules are intriguing materials for opto-electronics. Interfacial charge transfer is primarily responsible for their peculiar electronic structure and optical response. Hence, it is essential to gain insight into this fundamental process also beyond the static picture. Ab initio methods based on real-time time-dependent density-functional theory coupled to the Ehrenfest molecular dynamics scheme are ideally suited for this problem. We investigate a laser-excited hybrid inorganic/organic interface formed by the electron acceptor molecule 2,3,5,6-tetrafluoro-7,7,8,8-tetracyano-quinodimethane (F4TCNQ) physisorbed on a hydrogenated silicon cluster, and we discuss the fundamental mechanisms of charge transfer in the ultrashort time window following the impulsive excitation. The considered interface is p-doped and exhibits charge transfer in the ground state. When it is excited by a resonant laser pulse, the charge transfer across the interface is additionally increased, but contrary to previous observations in all-organic donor/acceptor complexes, it is not further promoted by vibronic coupling. In the considered time window of 100 fs, the molecular vibrations are coupled to the electron dynamics and enhance intramolecular charge transfer. Our results highlight the complexity of the physics involved and demonstrate the ability of the adopted formalism to achieve a comprehensive understanding of ultrafast charge transfer in hybrid materials

An integrated approach to the interpretation of Single Amino Acid Polymorphisms within the framework of CATH and Gene3D

Background: The phenotypic effects of sequence variations in protein-coding regions come about primarily via their effects on the resulting structures, for example by disrupting active sites or affecting structural stability. In order better to understand the mechanisms behind known mutant phenotypes, and predict the effects of novel variations, biologists need tools to gauge the impacts of DNA mutations in terms of their structural manifestation. Although many mutations occur within domains whose structure has been solved, many more occur within genes whose protein products have not been structurally characterized.Results: Here we present 3DSim (3D Structural Implication of Mutations), a database and web application facilitating the localization and visualization of single amino acid polymorphisms (SAAPs) mapped to protein structures even where the structure of the protein of interest is unknown. The server displays information on 6514 point mutations, 4865 of them known to be associated with disease. These polymorphisms are drawn from SAAPdb, which aggregates data from various sources including dbSNP and several pathogenic mutation databases. While the SAAPdb interface displays mutations on known structures, 3DSim projects mutations onto known sequence domains in Gene3D. This resource contains sequences annotated with domains predicted to belong to structural families in the CATH database. Mappings between domain sequences in Gene3D and known structures in CATH are obtained using a MUSCLE alignment. 1210 three-dimensional structures corresponding to CATH structural domains are currently included in 3DSim; these domains are distributed across 396 CATH superfamilies, and provide a comprehensive overview of the distribution of mutations in structural space.Conclusion: The server is publicly available at http://3DSim.bioinfo.cnio.es/. In addition, the database containing the mapping between SAAPdb, Gene3D and CATH is available on request and most of the functionality is available through programmatic web service access

Hyphessobrycon ocasoensis sp. n. (Teleostei, Characidae) una nueva especie para el Alto Cauca, Colombia

Hyphessobrycon ocasoensis n. sp. (Teleostei, Characidae) a new species from the Alto Cauca, Colombia Hyphessobrycon ocasoensis n. sp. (Characiformes, Characidae) from heterorhabdus group (Gery, 1977) is described from the upper Cauca River in Colombia. The new species is distinguished from all other known species by the following combination of characters: three unbranched and eight branched fins in the dorsal fin; short maxillary bone with one or no teeth; four small foramens in the maxillary bone, and five in the premaxillary; 5-17 scales with pores in the lateral line, six between the lateral line and anal-fin origin, six between the lateral line and pelvic-fin origin, and nine predorsals; depth of the caudal peduncle has a mean of 16.7% in standard length; interorbital width 50.6% in head; a dark spot on caudal peduncle and a dark lateral band that extends vertically from the dorsal–fin origin to the tips of the middle caudal fin rays. Physical and chemical data of their habitat are included

A low-luminosity type-1 QSO sample; III. Optical spectroscopic properties and activity classification

We report on the optical spectroscopic analysis of a sample of 99 low-luminosity quasi-stellar objects (LLQSOs) at $z\leq 0.06$ base the Hamburg/ESO QSO survey (HES). The LLQSOs presented here offer the possibility of studying the faint end of the QSO population at smaller cosmological distances and, therefore, in greater detail. A small number of our LLQSO present no broad component. Two sources show double broad components, whereas six comply with the classic NLS1 requirements. As expected in NLR of broad line AGNs, the [S{\sc{ii}}]$-$based electron density values range between 100 and 1000 N$_{e}$/cm$^{3}$. Using the optical characteristics of Populations A and B, we find that 50\% of our sources with H$\beta$ broad emission are consistent with the radio-quiet sources definition. The remaining sources could be interpreted as low-luminosity radio-loud quasar. The BPT-based classification renders an AGN/Seyfert activity between 50 to 60\%. For the remaining sources, the possible star burst contribution might control the LINER and HII classification. Finally, we discuss the aperture effect as responsible for the differences found between data sets, although variability in the BLR could play a significant role as well.Comment: 22 pages; 5 tables; 17 figures; in press with A&

Neighborhood and community interactions determine the spatial pattern of tropical tree seedling survival

Factors affecting survival and recruitment of 3531 individually mapped seedlings of Myristicaceae were examined over three years in a highly diverse neotropical rain forest, at spatial scales of 1–9 m and 25 ha. We found convincing evidence of a community compensatory trend (CCT) in seedling survival (i.e., more abundant species had higher seedling mortality at the 25-ha scale), which suggests that density-dependent mortality may contribute to the spatial dynamics of seedling recruitment. Unlike previous studies, we demonstrate that the CCT was not caused by differences in microhabitat preferences or life history strategy among the study species. In local neighborhood analyses, the spatial autocorrelation of seedling survival was important at small spatial scales (1–5 m) but decayed rapidly with increasing distance. Relative seedling height had the greatest effect on seedling survival. Conspecific seedling density had a more negative effect on survival than heterospecific seedling density and was stronger and extended farther in rare species than in common species. Taken together, the CCT and neighborhood analyses suggest that seedling mortality is coupled more strongly to the landscape-scale abundance of conspecific large trees in common species and the local density of conspecific seedlings in rare species. We conclude that negative density dependence could promote species coexistence in this rain forest community but that the scale dependence of interactions differs between rare and common species

Energy Efficiency of Hybrid-Power HetNets: A Population-like Games Approach

In this paper, a distributed control scheme based on population games is proposed. The controller is in charge of dealing with the energy consumption problem in a Heterogeneous Cellular Network (HetNet) powered by hybrid energy sources (grid and renewable energy) while guaranteeing appropriate quality of service (QoS) level at the same time. Unlike the conventional approach in population games, it considers both atomicity and non-anonymity. Simulation results show that the proposed population-games approach reduces grid consumption by up to about 12% compared to the traditional best-signal level association policy.U.S. Air Force Office of Scientific Research FA9550-17-1-0259Ministerio de Cultura y Deporte DPI2016-76493-C3-3-RMinisterio de Economía y Empresa DPI2017-86918-