Results 41 to 50 of about 2,071,992 (274)

Deuteration of ammonia in the starless core Ophiuchus/ H-MM1 [PDF]

open access: yes, 2017
Context. Ammonia and its deuterated isotopologues probe physical conditions in dense molecular cloud cores. The time-dependence of deuterium fractionation and the relative abundances of different nuclear spin modifications are supposed to provide a means
Caselli, P.   +15 more
core   +2 more sources

Crystal Structure and Chemistry of Topological Insulators

open access: yes, 2013
Topological surface states, a new kind of electronic state of matter, have recently been observed on the cleaved surfaces of crystals of a handful of small band gap semiconductors.
Cava, R. J.   +4 more
core   +1 more source

Simulation of Heme using DFT+U: a step toward accurate spin-state energetics [PDF]

open access: yes, 2007
We investigate the DFT+U approach as a viable solution to describe the low-lying states of ligated and unligated iron heme complexes. Besides their central role in organometallic chemistry, these compounds represent a paradigmatic case where LDA, GGA ...
Cococcioni, Matteo   +3 more
core   +2 more sources

Chemical compass behaviour at microtesla magnetic fields strengthens the radical pair hypothesis of avian magnetoreception

open access: yesNature Communications, 2019
Many animals use the Earth’s magnetic field for orientation, yet the underlying principles are poorly understood. The authors show that a molecular triad acts as a chemical compass in magnetic fields of similar magnitude to that of the Earth, supporting ...
Christian Kerpal   +8 more
doaj   +1 more source

Spin-orbit excitation energies, anisotropic exchange, and magnetic phases of honeycomb RuCl3

open access: yes, 2016
Using quantum chemistry calculations we shed fresh light on the electronic structure and magnetic properties of RuCl3, a proposed realization of the honeycomb Kitaev spin model.
Bogdanov, Nikolay A.   +5 more
core   +1 more source

Disordered but rhythmic—the role of intrinsic protein disorder in eukaryotic circadian timing

open access: yesFEBS Letters, EarlyView.
Unstructured domains known as intrinsically disordered regions (IDRs) are present in nearly every part of the eukaryotic core circadian oscillator. IDRs enable many diverse inter‐ and intramolecular interactions that support clock function. IDR conformations are highly tunable by post‐translational modifications and environmental conditions, which ...
Emery T. Usher, Jacqueline F. Pelham
wiley   +1 more source

Time after time – circadian clocks through the lens of oscillator theory

open access: yesFEBS Letters, EarlyView.
Oscillator theory bridges physics and circadian biology. Damped oscillators require external drivers, while limit cycles emerge from delayed feedback and nonlinearities. Coupling enables tissue‐level coherence, and entrainment aligns internal clocks with environmental cues.
Marta del Olmo   +2 more
wiley   +1 more source

Magneto-oncology: a radical pair primer

open access: yesFrontiers in Oncology
There are few well-established biophysical mechanisms by which external magnetic fields can influence the biochemistry of molecules in living systems. The radical pair mechanism is arguably the most promising.
P. J. Hore
doaj   +1 more source

Local-spin-density functional for multideterminant density functional theory

open access: yes, 2006
Based on exact limits and quantum Monte Carlo simulations, we obtain, at any density and spin polarization, an accurate estimate for the energy of a modified homogeneous electron gas where electrons repel each other only with a long-range coulombic tail.
A. Savin   +9 more
core   +1 more source

Sequence determinants of RNA G‐quadruplex unfolding by Arg‐rich regions

open access: yesFEBS 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

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