Search results for "methods"
showing 10 items of 4526 documents
AB Initio Calculations of CUN@Graphene (0001) Nanostructures for Electrocatalytic Applications
2018
Funding from European Union’s Horizon 2020 Research and Innovation Programme project under grant agreement No. 768789 is greatly acknowledged.
Titania nanotubes modeled from 3- and 6-layered (101) anatase sheets: Line group symmetry and comparative ab initio LCAO calculations
2010
Abstract The formalism of line groups for one-periodic (1D) nanostructures with rotohelical symmetry has been applied for construction of TiO 2 nanotubes (NTs). They are formed by rolling up the stoichiometric two-periodic (2D) sheets cut from the energetically stable (1 0 1) anatase surface, which contains either six (O–Ti–O_O–Ti–O) or three (O–Ti–O) layers. After optimization of geometry the former keeps the centered rectangular symmetry of initial slab while the latter is spontaneously reconstructed to the hexagonal fluorite-type (1 1 1) sheet. We have considered the four sets of TiO 2 NTs with optimized 6- and 3-layered structures, which possess the two pairs of either anatase (− n , n …
Ab initio calculations of doped TiO2 anatase (101) nanotubes for photocatalytical water splitting applications
2016
Abstract TiO 2 (titania) is one of the promising materials for photocatalytic applications. In this paper we report on recently obtained theoretical results for N and S doped, as well as N+S co-doped 6-layer (101) anatase nanotube (NT). First principles calculations in our study have been performed using a modified B3LYP hybrid exchange-correlation functional within density functional theory (DFT). Here we discuss the energy of defect formation mechanism and electronic band structure for nanotubes under study. We also report on influence of dopant concentration on the NT's band structure and discuss the defect–defect interactions.
Invagination of the Sphenoid Sinus Mucosa after Endoscopic Endonasal Transsphenoidal Approach and Its Significance
2016
Objective To describe the clinical features of invagination of the sphenoid sinus mucosa (ISM) and compare them with other similar cases using a visual analog scale (VAS) to assess the various nasal symptoms and to discuss its clinical significance and means of prevention. Study design Retrospective chart review at a tertiary referral center. Methods Between 2010 and 2015, 8 patients who had undergone EETSA surgery displayed postoperative ISM. The comparison group consisted of 147 patients who underwent the same surgical procedures and were diagnosed with the same diseases. Pre- or postoperative paranasal sinus computed tomography (PNS CT) and VAS were performed and subsequently analyzed. R…
The Relationship between Patent and Second Tier Patent Protection: The Case of the Dutch Short-Term Patent System Abolition
2017
While the effect of changes in patent protection strength on innovative activity has been studied extensively, the role of second tier patent protection in national innovation systems has been a neglected research topic. Empirical evidence on the interaction between patent and second tier patent protection, especially in advanced economies, remains very scarce. This paper studies how the abolition of Dutch short-term patent system affected the level of domestic patent filing activity in the short and medium run. Synthetic control method is implemented to investigate the effect. The results indicate that the abolition of the short-term patent institution did not affect the level of domestic …
Dynamics of ionized and neutral gas in M8
2017
We present a spectroscopic study of the dynamics of the ionized and neutral gas throughout the Lagoon nebula (M8), using VLT/FLAMES data from the Gaia-ESO Survey. We explore the connections between the nebular gas and the stellar population of the associated star cluster NGC6530. We characterize through spectral fitting emission lines of H{alpha}, [NII] and [SII] doublets, [OIII], and absorption lines of sodium D doublet, using data from the FLAMES/Giraffe and UVES spectrographs, on more than 1000 sightlines towards the entire face of the Lagoon nebula. Gas temperatures are derived from line-width comparisons, densities from the [SII] doublet ratio, and ionization parameter from H{alpha}/[N…
Comparison of HapMap and 1000 genomes reference panels in a large-scale genome-wide association study
2017
An increasing number of genome-wide association (GWA) studies are now using the higher resolution 1000 Genomes Project reference panel (1000G) for imputation, with the expectation that 1000G imputation will lead to the discovery of additional associated loci when compared to HapMap imputation. In order to assess the improvement of 1000G over HapMap imputation in identifying associated loci, we compared the results of GWA studies of circulating fibrinogen based on the two reference panels. Using both HapMap and 1000G imputation we performed a meta-analysis of 22 studies comprising the same 91,953 individuals. We identified six additional signals using 1000G imputation, while 29 loci were ass…
Defining the role of common variation in the genomic and biological architecture of adult human height
2014
Item does not contain fulltext Using genome-wide data from 253,288 individuals, we identified 697 variants at genome-wide significance that together explained one-fifth of the heritability for adult height. By testing different numbers of variants in independent studies, we show that the most strongly associated approximately 2,000, approximately 3,700 and approximately 9,500 SNPs explained approximately 21%, approximately 24% and approximately 29% of phenotypic variance. Furthermore, all common variants together captured 60% of heritability. The 697 variants clustered in 423 loci were enriched for genes, pathways and tissue types known to be involved in growth and together implicated genes…
Psychiatric genome-wide association study analyses implicate neuronal, immune and histone pathways
2015
G.B. and S.N. acknowledge funding support for this work from the National Institute for Health Research (NIHR) Mental Health Biomedical Research Centre at South London and Maudsley NHS Foundation Trust and King's College London. P.H.L. is supported by US National Institute of Mental Health (NIMH) grant K99MH101367. Genome-wide association studies (GWAS) of psychiatric disorders have identified multiple genetic associations with such disorders, but better methods are needed to derive the underlying biological mechanisms that these signals indicate. We sought to identify biological pathways in GWAS data from over 60,000 participants from the Psychiatric Genomics Consortium. We developed an an…
Analysing the mediating role of a network: a Bayesian latent space approach
2020
The use of network analysis for the investigation of social structures has recently seen a rise, due both to the high availability of data and to the numerous insights it can provide into different fields. Most analyses focus on the topological characteristics of networks and the estimation of relationships between the nodes. We adopt a different point of view, by considering the whole network as a random variable conveying the effect of an exposure on a response. This point of view represents a classical mediation setting, where the interest lies in the estimation of the indirect effect, that is, the effect propagated through the mediating variable. We introduce a latent space model mappin…