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Title: The role of momentum transfer during incoherent neutron scattering is explained by the energy landscape model

Abstract

We recently introduced a model of incoherent quasielastic neutron scattering (QENS) that treats the neutrons as wave packets of finite length and the protein as a random walker in the free energy landscape. We call the model ELM for “energy landscape model.” In ELM, the interaction of the wave packet with a proton in a protein provides the dynamic information. During the scattering event, the momentum Q(t) is transferred by the wave packet to the struck proton and its moiety, exerting the force F(t)=dQ(t)/dt. The resultant energy E* is stored elastically and returned to the neutron as it exits. The energy is given by E*=k B(T 0+χQ), where T 0 is the ambient temperature and χ (≈ 91 K Å) is a new elastobaric coefficient. Experiments yield the scattering intensity (dynamic structure factor) S(Q;T) as a function of Q and T. To test our model, we use published data on proteins where only thermal vibrations are active. ELM competes with the currently accepted theory, here called the spatial motion model (SMM), which explains S(Q,T) by motions in real space. ELM is superior to SMM: It can explain the experimental angular and temperature dependence, whereas SMM cannot do so.

Authors:
; ;
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1354751
Alternate Identifier(s):
OSTI ID: 1492533
Report Number(s):
LA-UR-16-20751
Journal ID: ISSN 0027-8424; /pnas/114/20/5130.atom
Grant/Contract Number:  
LDRD DR200160044; 89233218CNA000001
Resource Type:
Published Article
Journal Name:
Proceedings of the National Academy of Sciences of the United States of America
Additional Journal Information:
Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 114 Journal Issue: 20; Journal ID: ISSN 0027-8424
Publisher:
Proceedings of the National Academy of Sciences
Country of Publication:
United States
Language:
English
Subject:
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; Biological Science; Incoherent quasi-elastic neutron scattering, protein dynamics

Citation Formats

Frauenfelder, Hans, Young, Robert D., and Fenimore, Paul W. The role of momentum transfer during incoherent neutron scattering is explained by the energy landscape model. United States: N. p., 2017. Web. doi:10.1073/pnas.1612267114.
Frauenfelder, Hans, Young, Robert D., & Fenimore, Paul W. The role of momentum transfer during incoherent neutron scattering is explained by the energy landscape model. United States. doi:10.1073/pnas.1612267114.
Frauenfelder, Hans, Young, Robert D., and Fenimore, Paul W. Mon . "The role of momentum transfer during incoherent neutron scattering is explained by the energy landscape model". United States. doi:10.1073/pnas.1612267114.
@article{osti_1354751,
title = {The role of momentum transfer during incoherent neutron scattering is explained by the energy landscape model},
author = {Frauenfelder, Hans and Young, Robert D. and Fenimore, Paul W.},
abstractNote = {We recently introduced a model of incoherent quasielastic neutron scattering (QENS) that treats the neutrons as wave packets of finite length and the protein as a random walker in the free energy landscape. We call the model ELM for “energy landscape model.” In ELM, the interaction of the wave packet with a proton in a protein provides the dynamic information. During the scattering event, the momentum Q(t) is transferred by the wave packet to the struck proton and its moiety, exerting the force F(t)=dQ(t)/dt. The resultant energy E* is stored elastically and returned to the neutron as it exits. The energy is given by E*=kB(T0+χQ), where T0 is the ambient temperature and χ (≈ 91 K Å) is a new elastobaric coefficient. Experiments yield the scattering intensity (dynamic structure factor) S(Q;T) as a function of Q and T. To test our model, we use published data on proteins where only thermal vibrations are active. ELM competes with the currently accepted theory, here called the spatial motion model (SMM), which explains S(Q,T) by motions in real space. ELM is superior to SMM: It can explain the experimental angular and temperature dependence, whereas SMM cannot do so.},
doi = {10.1073/pnas.1612267114},
journal = {Proceedings of the National Academy of Sciences of the United States of America},
number = 20,
volume = 114,
place = {United States},
year = {2017},
month = {5}
}

Journal Article:
Free Publicly Available Full Text
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DOI: 10.1073/pnas.1612267114

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