Results 31 to 40 of about 1,578,280 (368)

Spatially confined protein assembly in hierarchical mesoporous metal-organic framework

Nature Communications, 2023
Immobilization of biomolecules into porous materials could lead to enhanced performance in terms of stability and easier separation for their reuse.
Xiaoliang Wang, Lilin He, Jacob Sumner, Shuo Qian, Qiu Zhang, Hugh O’Neill, Yimin Mao, Chengxia Chen, Abdullah M. Al-Enizi, Ayman Nafady, Shengqian Ma   +10 more
doaj   +1 more source

3D characterization of magnetic phases through neutron polarization contrast tomography

Additive Manufacturing Letters, 2023
The advancement of laser-based metal additive manufacturing has enabled the production of near net shape complex geometries. Understanding the microstructural features of materials is crucial for accurate modeling of their mechanical behavior ...
Matteo Busi, Efthymios Polatidis, Stavros Samothrakitis, Patrick Köhnen, Florencia Malamud, Christian Haase, Markus Strobl   +6 more
doaj   +1 more source

Role of the total isospin 3/2 component in three-nucleon reactions [PDF]

, 2016
We discuss the role of the three-nucleon isospin T=3/2 amplitude in elastic neutron-deuteron scattering and in the deuteron breakup reaction. The contribution of this amplitude originates from charge-independence breaking of the nucleon-nucleon potential
Epelbaum, E., Golak, J., Hebeler, K., Kamada, H., Krebs, H., Meißner, U. -G., Nogga, A., Skibiński, R., Topolnicki, K., Witała, H.   +9 more
core   +2 more sources

Simulation of Inelastic Neutron Scattering Spectra Using OCLIMAX.

Journal of Chemical Theory and Computation, 2019
Studying the vibration of atoms is of fundamental importance and can provide critical insight for the understanding of materials behavior, such as structure and phase transition, thermodynamics, and chemical reactions.
Y. Cheng, L. Daemen, A. I. Kolesnikov, A. Ramirez-Cuesta   +3 more
semanticscholar   +1 more source

The Neutron Macromolecular Crystallography Instruments at Oak Ridge National Laboratory: Advances, Challenges, and Opportunities

Crystals, 2018
The IMAGINE and MaNDi instruments, located at Oak Ridge National Laboratory High Flux Isotope Reactor and Spallation Neutron Source, respectively, are powerful tools for determining the positions of hydrogen atoms in biological macromolecules and their ...
Flora Meilleur, Leighton Coates, Matthew J. Cuneo, Andrey Kovalevsky, Dean A. A. Myles   +4 more
doaj   +1 more source

Combining molecular dynamics simulations with small-angle X-ray and neutron scattering data to study multi-domain proteins in solution

bioRxiv, 2019
Many proteins contain multiple folded domains separated by flexible linkers, and the ability to describe the structure and conformational heterogeneity of such flexible systems pushes the limits of structural biology. Using the three-domain protein TIA-1
A. H. Larsen, Yong Wang, Sandro Bottaro, S. Grudinin, L. Arleth, K. Lindorff-Larsen   +5 more
semanticscholar   +1 more source

Observability of an induced electric dipole moment of the neutron from nonlinear QED [PDF]

, 2011
It has been shown recently that a neutron placed in an external quasistatic electric field develops an induced electric dipole moment $\mathbf{p}_{\mathrm{IND}}$ due to quantum fluctuations in the QED vacuum. A feasible experiment which could detect such
C. A. Dominguez, G. L. Squires, G. V. Dunne, H. Falomir, H. Rauch, M. Loewe, O. Zimmer, V. Weisskopf, V. I. Lushchikov, V. S. Barashenkov   +9 more
core   +2 more sources

ICE-MAN the Integrated Computational Environment for Modeling and Analysis for Neutrons at ORNL [PDF]

EPJ Web of Conferences, 2022
ICE-MAN is a modeling and analysis workbench for multi-modal studies, designed with neutron science in mind. It streamlines the workflow between different experimental techniques, computer modeling, and databases and reduces the time and learning curve ...
Ramirez-Cuesta Anibal, Smith Robert, Mamontov Eugene, Cheng Yongqiang   +3 more
doaj   +1 more source

Neutron Scattering Investigations of Hydride Species in Heterogeneous Catalysis.

ChemSusChem, 2018
In heterogeneous catalysis, hydrides on the surface or in the bulk play a critical role as either active components or reaction intermediates in many hydrogen-involving reactions, but characterization of the nature and structure of these hydride species ...
F. Polo-Garzon, S. Luo, Yongqiang Q. Cheng, K. Page, A. Ramirez‐Cuesta, P. Britt, Zili Wu   +6 more
semanticscholar   +1 more source

Structural plasticity of SARS-CoV-2 3CL Mpro active site cavity revealed by room temperature X-ray crystallography

Nature Communications, 2020
The SARS-CoV-2 3CL main protease (3CL Mpro) is a chymotrypsin-like protease that facilitates the production of non-structural proteins, which are essential for viral replication and is therefore of great interest as a drug target.
Daniel W. Kneller, Gwyndalyn Phillips, Hugh M. O’Neill, Robert Jedrzejczak, Lucy Stols, Paul Langan, Andrzej Joachimiak, Leighton Coates, Andrey Kovalevsky   +8 more
doaj   +1 more source