Results 71 to 80 of about 8,492,929 (374)

A brief investigation of the dose field virtual simulation tools for reactor decommissioning and preliminary design for the HWRR reactor in China [PDF]

Nuclear Energy and Technology
The calculation and visualization of the dose field in the decommissioning of nuclear facilities is one of the important functions of the decommissioning virtual simulation system.
Yaping Guo, Peng Nie, Ruizhi Li, Lijun Zhang, Xingwang Zhang, Ren Ren, Zelong Zhao   +6 more
doaj   +3 more sources

Two-Loop Bethe Logarithms [PDF]

, 2003
We calculate the two-loop Bethe logarithm correction to atomic energy levels in hydrogen-like systems. The two-loop Bethe logarithm is a low-energy quantum electrodynamic (QED) effect involving multiple summations over virtual excited atomic states ...
G. W. Erickson, G. W. Erickson, Krzysztof Pachucki, P. J. Mohr, P. J. Mohr, U. D. Jentschura, Ulrich D. Jentschura, V. A. Yerokhin, W. E. Caswell   +8 more
core   +3 more sources

Peptide‐based ligand antagonists block a Vibrio cholerae adhesin

FEBS Letters, EarlyView.
The structure of a peptide‐binding domain of the Vibrio cholerae adhesin FrhA was solved by X‐ray crystallography, revealing how the inhibitory peptide AGYTD binds tightly at its Ca2+‐coordinated pocket. Structure‐guided design incorporating D‐amino acids enhanced binding affinity, providing a foundation for developing anti‐adhesion therapeutics ...
Mingyu Wang, Grace Du, Charity Yongo‐Luwawa, Angelina Lu, Brett Kinrade, Kim Munro, Karl E. Klose, William D. Lubell, Peter Davies, Shuaiqi Guo   +9 more
wiley   +1 more source

Design of the offline test electronics for the nozzle system of proton therapy

Scientific Reports
A set of nozzle equipment for proton therapy is currently under development at China Institute of Atomic Energy (CIAE). To facilitate the off-line commissioning of the whole equipment, a set of ionization chamber signal generation system, known as the ...
Peng Huang, Zhiguo Yin, Tianjian Bian, Shigang Hou, Fengping Guan, Shizhong An, Yang Wang, Tianjue Zhang, Luyu Ji, Lipeng Wen, Xueer Mu   +10 more
doaj   +1 more source

Screened Coulomb interactions in metallic alloys: II Screening beyond the single-site and atomic sphere approximations [PDF]

, 2001
A quantitative description of the configurational part of the total energy of metallic alloys with substantial atomic size difference cannot be achieved in the atomic sphere approximation: It needs to be corrected at least for the multipole moment ...
A. Bieber, A. Gonis, A. V. Ruban, A. V. Ruban, A. Zunger, A.V. Ruban, A.V. Ruban, C. Koenig, C. Wolverton, D. Vanderbilt, D.D. Johnson, D.W. Taylor, E.A. Smirnova, F. Ducastelle, G. Kresse, G. Kresse, G. Kresse, H. L. Skriver, H.J. Monkhorst, H.L. Skriver, I.A. Abrikosov, I.A. Abrikosov, I.A. Abrikosov, J. Banhart, J.P. Perdew, J.S. Faulkner, J.W.D. Connolly, L.V. Pourovskii, M. Borici-Kuqo, M.W. Finnis, O. Gunnarsson, O.K. Andersen, O.K. Andersen, P. A. Korzhavyi, P. A. Korzhavyi, P. Braun, P. Hohenberg, P. Soven, P.A. Korzhavyi, P.A. Korzhvyi, P.E.A. Turchi, P.P. Singh, P.P. Singh, S. I. Simak, S. Kirkpatrick, S.K. Bose, V. Drchal, V. Ozolins, W. Kohn, W. Schweika, X.-G. Chang, Y. Wang, Z.W. Lu   +52 more
core   +3 more sources

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

FEBS 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

Position dependent energy level shifts of an accelerated atom in the presence of a boundary

, 2010
We consider a uniformly accelerated atom interacting with a vacuum electromagnetic field in the presence of an infinite conducting plane boundary and calculate separately the contributions of vacuum fluctuations and radiation reaction to the atomic ...
Hongwei Yu, M. Bordag, Zhiying Zhu
core   +1 more source

Protein pyrophosphorylation by inositol pyrophosphates — detection, function, and regulation

FEBS Letters, EarlyView.
Protein pyrophosphorylation is an unusual signaling mechanism that was discovered two decades ago. It can be driven by inositol pyrophosphate messengers and influences various cellular processes. Herein, we summarize the research progress and challenges of this field, covering pathways found to be regulated by this posttranslational modification as ...
Sarah Lampe, Tanmay Kumar Mohanty, Rashna Bhandari, Dorothea Fiedler   +3 more
wiley   +1 more source

Second order structural phase transitions, free energy curvature, and temperature-dependent anharmonic phonons in the self-consistent harmonic approximation: theory and stochastic implementation

, 2017
The self-consistent harmonic approximation is an effective harmonic theory to calculate the free energy of systems with strongly anharmonic atomic vibrations, and its stochastic implementation has proved to be an efficient method to study, from first ...
Bianco, Raffaello, Calandra, Matteo, Errea, Ion, Mauri, Francesco, Paulatto, Lorenzo   +4 more
core   +2 more sources

A generally applicable atomic-charge dependent London dispersion correction.

Journal of Chemical Physics, 2018
The so-called D4 model is presented for the accurate computation of London dispersion interactions in density functional theory approximations (DFT-D4) and generally for atomistic modeling methods.
Eike Caldeweyher, S. Ehlert, A. Hansen, Hagen Neugebauer, S. Spicher, Christoph Bannwarth, S. Grimme   +6 more
semanticscholar   +1 more source