Results 71 to 80 of about 1,211,974 (260)
Two-dimensional antiferromagnetic boron form first principles
AIP Advances, 2019 A new two-dimensional (2D) antiferromagnetic semiconducting boron structure, named as M-B28, is predicted using ab initio evolutionary structure searching.
Chengguang Yue, Kun Luo, Bo Xu
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Generalized Stacking Fault Energy of Al-Doped CrMnFeCoNi High-Entropy Alloy
Nanomaterials, 2019 Using first-principles methods, we investigate the effect of Al on the generalized stacking fault energy of face-centered cubic (fcc) CrMnFeCoNi high-entropy alloy as a function of temperature.
Xun Sun +5 more
doaj +1 more source
First principles characterization of reversible martensitic transformations
, 2018 Reversible martensitic transformations (MTs) are the origin of many fascinating phenomena, including the famous shape memory effect. In this work, we present a fully ab initio procedure to characterize MTs in alloys and to assess their reversibility ...
Drautz, Ralf +3 more
core +1 more source
FEBS Letters, EarlyView.We identified a systemic, progressive loss of protein S‐glutathionylation—detected by nonreducing western blotting—alongside dysregulation of glutathione‐cycle enzymes in both neuronal and peripheral tissues of Taiwanese SMA mice. These alterations were partially rescued by SMN antisense oligonucleotide therapy, revealing persistent redox imbalance as ...
Sofia Vrettou, Brunhilde Wirth
wiley +1 more source
Circuit quantization from first principles
Physical Review ResearchSuperconducting circuit quantization conventionally starts from classical Euler-Lagrange circuit equations of motion. Invoking the correspondence principle yields a canonically quantized description of circuit dynamics over a bosonic Hilbert space.
Yun-Chih Liao +2 more
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DFT Simulations of the Vibrational Spectrum and Hydrogen Bonds of Ice XIV
Molecules, 2018 It is always a difficult task to assign the peaks recorded from a vibrational spectrum. Herein, we explored a new pathway of density functional theory (DFT) simulation to present three kinds of spectra of ice XIV that can be referenced as inelastic ...
Kai Zhang +6 more
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Calpain small subunit homodimerization is robust and calcium‐independent
FEBS Letters, EarlyView.Calpains dimerize via penta‐EF‐hand (PEF) domains. Using single‐molecule force spectroscopy, we measured the strength and kinetics of PEF–PEF homodimer binding. The interaction is robust, shows a transient conformational step before dissociation, and remains largely insensitive to Ca2+.
Nesha May O. Andoy +4 more
wiley +1 more source
Condensed Matter Physics, 2016 Through first-principles calculation based on the density functional theory (DFT) within the pseudo potential-plane wave (PP-PW) approach, we studied the structural, mechanical and thermal properties of Cu2CdSnSe4 and Cu2HgSnSe4 adamantine materials. The
S. Bensalem +2 more
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First-principles, atomistic thermodynamics for oxidation catalysis
, 2002 Present knowledge of the function of materials is largely based on studies (experimental and theoretical) that are performed at low temperatures and ultra-low pressures. However, the majority of everyday applications, like e.g.
C. H. F. Peden +6 more
core +1 more source
FEBS Letters, EarlyView.Biomolecular condensates formed by fused in sarcoma (FUS) are dissolved by high ATP concentrations yet persist in cells. Using a reconstituted system, we demonstrate that valosin‐containing protein (VCP), an AAA+ ATPase, counteracts ATP‐driven dissolution of FUS condensates through its D2 ATPase activity.
Hitomi Kimura +2 more
wiley +1 more source