Results 81 to 90 of about 21,938,013 (329)
Acta Chimica Slovenica, 2022 Cerium carbonate crystal morphology is predicted using density functional theory (DFT) simulations in this paper. In the nucleation phase, the ketone group in polyvinylpyrrolidone (PVP) will preferentially bind to Ce3+ to form complexes and provide ...
Deyun Sun +6 more
doaj +1 more source
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
First Principles Theories of Piezoelectric Materials
, 2007 Piezoelectrics have long been studied using parameterized models fit to experimental data, starting with the work of Devonshire in 1954. Much has been learned using such approaches, but they can also miss major phenomena if the materials properties are ...
Cohen, R. E.
core +1 more source
First-principles analysis of cross-resonance gate operation [PDF]
, 2020 We present a comprehensive theoretical study of the cross-resonance gate operation covering estimates for gate parameters and gate error as well as analyzing spectator qubits and multi-qubit frequency collisions.
Moein Malekakhlagh, E. Magesan, D. McKay
semanticscholar +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
First-Principles Assessment: Physicalism and Idealism at First Principles
Abstract: Physicalism and analytic idealism are compared at the level of first principles — not theory maturity, not evidential closure, not institutional success — using five symmetric criteria that both frameworks accept: epistemic direction, brute-fact placement, handling of the hard problem, parsimony of ontological categories, and self-referential
+10 more sources
Electromechanical behavior of BaTiO3 from first principles
, 1997 Using an effective Hamiltonian parametrized from first principles, Monte Carlo simulations are performed in order to study the piezoelectric response of BaTiO3 in the ferroelectric tetragonal phase as a function of temperature.
Garcia, Alberto, Vanderbilt, David
core +1 more source
Diversity and complexity in neural organoids
FEBS Letters, EarlyView.Neural organoid research aims to expand genetic diversity on one side and increase tissue complexity on the other. Chimeroids integrate multiple donor genomes within single organoids. Self‐organising multi‐identity organoids, exogenous cell seeding, or enforced assembly of region‐specific organoids contribute to tissue complexity.
Ilaria Chiaradia, Madeline A. Lancaster
wiley +1 more source
First principles calculations for the electronic and optical properties of CrN
四川大学学报. 自然科学版, 2017 In this paper, we investigate the structure，electronic and optical properties of cubic phase CrN using the plane wave pseudopotential density functional theory method. The results coincide well with the experimental and theoretical values.
WANG Jing-Nan, YANG Kun
doaj
First Principles Study of Zn-Sb Thermoelectrics
, 1997 We report first principles LDA calculations of the electronic structure and thermoelectric properties of $\beta $-Zn$_{4}$Sb$_{3}$. The material is found to be a low carrier density metal with a complex Fermi surface topology and non-trivial dependence ...
A. E. Karakosov +19 more
core +1 more source