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Macromolecular ab initio phasing enforcing secondary and tertiary structure.
Ab initio phasing of macromolecular structures, from the native intensities alone with no experimental phase information or previous particular structural knowledge, has been the object of a long quest, limited by two main...
Oxidation of GaN
GaN is a wide-band-gap semiconductor used in high-efficiency light-emitting diodes and solar cells. The solid is produced industrially at high chemical purities by deposition from a vapor phase, and oxygen may be included at...
Oxidation of GaN
GaN is a wide-band-gap semiconductor used in high-efficiency light-emitting diodes and solar cells. The solid is produced industrially at high chemical purities by deposition from a vapor phase, and oxygen may be included at...
Ab Initio Approach and Its Impact on Superconductivity
One of the main motivations for studying superconductivity is to search for high temperature superconductors, especially, room temperature superconductors. During the long history of more than 100 years since the discovery of...
Two-dimensional electron gas at the PbTi O3/SrTi O3 interface
In the polar catastrophe scenario, polar discontinuity accounts for the driving force of the formation of a two-dimensional electron gas (2DEG) at the interface between polar and nonpolar insulators. In this paper, we substitute...
Ab initio molecular-dynamics simulation of neuromorphic computing in phase-change memory materials
We present an in silico study of the neuromorphic-computing behavior of the prototypical phase-change material, Ge2Sb2Te5, using ab initio molecular-dynamics simulations. Stepwise changes in structural order in response to...
Ab initio molecular-dynamics simulation of neuromorphic computing in phase-change memory materials
We present an in silico study of the neuromorphic-computing behavior of the prototypical phase-change material, Ge2Sb2Te5, using ab initio molecular-dynamics simulations. Stepwise changes in structural order in response to...
Ab initio derivation of Hubbard models for cold atoms in optical lattices
We derive ab initio local Hubbard models for several optical lattice potentials of current interest, including the honeycomb and Kagom\'{e} lattices, verifying their accuracy on each occasion by comparing the interpolated band...
Ab initio derivation of Hubbard models for cold atoms in optical lattices
We derive ab initio local Hubbard models for several optical lattice potentials of current interest, including the honeycomb and Kagom\'{e} lattices, verifying their accuracy on each occasion by comparing the interpolated band...
Sexual and physical abuse and depressive symptoms in the UK Biobank
Abstract: Background: The association between sexual and physical abuse and subsequent depression is well-established, but the associations with specific depressive symptoms and sex differences remain relatively understudied. We...
Genomics, Computational Biology and Drug Discovery for Mycobacterial Infections
Tuberculosis (TB) and leprosy are mycobacterial infections caused by Mycobacterium tuberculosis and Mycobacterium leprae respectively. These diseases continue to be endemic in developing countries where the cost of new medicines...
A monoclonal antibody specific for mouse dendritic cells
Dendritic cells (DC) are a small subpopulation of lymphoid cells with distinctive cytologic features, surface properties, and functions. This report describes the DC-specific antibody (Ab) secreted by clone 33D1. Rat spleen...
Published by: Rockefeller University
Association between common early-childhood infection and subsequent depressive symptoms and psychotic experiences in adolescence
BACKGROUND: Childhood infections are associated with adult psychosis and depression, but studies of psychotic experiences (PEs) and depressive symptoms in childhood, adolescence, and early-adulthood are scarce. Previous studies...
Structural biology of multicomponent assemblies in DNA double-strand-break repair through non-homologous end joining.
Direction of association between Cardiovascular risk and depressive symptoms during the first 18 years of life
Sexual and physical abuse and depressive symptoms in the UK Biobank.
Background
The association between sexual and physical abuse and subsequent depression is well-established, but the associations with specific depressive symptoms and sex differences remain relatively understudied. We...
sexual abuse Physical Abuse Depressive symptoms Observational study UK Biobank Humans Depression Sex Offenses Child Abuse Adult Child Biological Specimen Banks Female Male United Kingdom
Published by: BMC psychiatry
Investigating the efficacy of attention bias modification in reducing high spider fear
Attention Bias Modification (ABM) targets attention bias (AB) towards threat and is a potential therapeutic intervention for anxiety. The current study investigated whether initial AB (towards or away from spider images)...
Investigating the efficacy of attention bias modification in reducing high spider fear
Attention Bias Modification (ABM) targets attention bias (AB) towards threat and is a potential therapeutic intervention for anxiety. The current study investigated whether initial AB (towards or away from spider images)...
Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis.
Asma Munir, Michael T Wilson, Steven W Hardwick, Dimitri Y Chirgadze, Jonathan AR Worrall, Tom L Blundell, Amanda K Chaplin
Dec 17, 2020
Mycobacterium tuberculosis Catalase cryo-EM DISORDER drug binding Heme hydrogen-peroxide Peroxidase resistance mutations Bacterial Proteins Binding Sites Catalase Cryoelectron Microscopy Crystallography X-Ray Drug Resistance Bacterial genetic variation Isoniazid Models Molecular Mycobacterium tuberculosis Protein Conformation
Time dependent decomposition of ammonia borane for the controlled production of 2D hexagonal boron nitride.
Vitaliy Babenko, George Lane, Antal A Koos, Adrian T Murdock, Karwei So, Jude Britton, Seyyed Shayan Meysami, Jonathan Moffat, Nicole Grobert
Jan 24, 2018
Ammonia borane (AB) is among the most promising precursors for the large-scale synthesis of hexagonal boron nitride (h-BN) by chemical vapour deposition (CVD). Its non-toxic and non-flammable properties make AB particularly...
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