Results 41 to 50 of about 82,519 (298)
Localized versus itinerant states created by multiple oxygen vacancies in SrTiO3
New Journal of Physics, 2015 Oxygen vacancies in strontium titanate surfaces (SrTiO _3 ) have been linked to the presence of a two-dimensional electron gas with unique behavior. We perform a detailed density functional theory study of the lattice and electronic structure of SrTiO _3
Harald O Jeschke +2 more
doaj +1 more source
Nuclear Materials and Energy, 2023 First-principles calculations related to defect complexes formed from a monovacancy and multiple interstitial impurity atoms (hydrogen, carbon, nitrogen, and oxygen atoms) in tungsten were performed.
Atsushi Yabuuchi
doaj +1 more source
, 2012 The incorporation of oxygen atoms has been simulated into either nitrogen or uranium vacancy at the UN(001) surface, sub-surface or central layers. For calculations on the corresponding slab models both the relativistic pseudopotentials and the method of
Arai +39 more
core +1 more source
Impact of the clusterization on the solubility of oxygen and vacancy concentration in nickel: A multi-scale approach [PDF]
, 2017 Combining thermodynamic concepts with first-principles calculations, we study the solubility of oxygen atoms (O) in nickel. In our approach, we include the possible formation of oxygen clusters (On) and vacancies-oxygens clusters (VOn and V2On).
Connétable, Damien +4 more
core +3 more sources
Sequence determinants of RNA G‐quadruplex unfolding by Arg‐rich regions
FEBS Letters, EarlyView.We show that Arg‐rich peptides selectively unfold RNA G‐quadruplexes, but not RNA stem‐loops or DNA/RNA duplexes. This length‐dependent activity is inhibited by acidic residues and is conserved among SR and SR‐related proteins (SRSF1, SRSF3, SRSF9, U1‐70K, and U2AF1).
Naiduwadura Ivon Upekala De Silva +10 more
wiley +1 more source
Molecules, 2023 Defect engineering is considered an effective method to adjust the photocatalytic properties of materials. In this work, we synthesized the vacancy-rich ZnO rods with (100) planes via the melamine-assisted thermal activation method.
Weiwei Wang +3 more
doaj +1 more source
Self-passivation of vacancies in \alpha-PbO
, 2013 We introduce a self-passivation of single lead (Pb) and oxygen (O) vacancies in the \alpha-PbO compound through formation of a Pb-O vacancy pair. The preferential mechanism for pair formation involves initial development of the single Pb vacancy which ...
Berashevich, J. +2 more
core +1 more source
First-principle calculation of monovacancy and divacancy interactions with atomic oxygen in nickel: thermal expansion effects [PDF]
, 2009 The insertion and diffusion energies of oxygen in presence of vacancies in nickel are studied by using the first-principle projector augmented waves (PAW).
Andrieu, Eric +3 more
core +1 more source
Cell wall target fragment discovery using a low‐cost, minimal fragment library
FEBS Letters, EarlyView.LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan +5 more
wiley +1 more source
Peroxidasin enables melanoma immune escape by inhibiting natural killer cell cytotoxicity
Molecular Oncology, EarlyView.Peroxidasin (PXDN) is secreted by melanoma cells and binds the NK cell receptor NKG2D, thereby suppressing NK cell activation and cytotoxicity. PXDN depletion restores NKG2D signaling and enables effective NK cell–mediated melanoma killing. These findings identify PXDN as a previously unrecognized immune evasion factor and a potential target to improve
Hsu‐Min Sung +17 more
wiley +1 more source