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Intermediate scattering function for macromolecules in solutions probed by neutron spin echo

Yun Liu*

  • Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA and Department of Chemical and Biomolecular Engineering, University of Delaware, Newark, Delaware 19716, USA

  • *yun.liu@nist.gov; yunliu@udel.edu
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Phys. Rev. E 95, 020501(R) – Published 16 February, 2017

DOI: https://doi.org/10.1103/PhysRevE.95.020501

Abstract

The neutron-spin-echo method (NSE) is a powerful technique for studying internal dynamics of macromolecules in solutions because it can simultaneously probe length and time scales comparable to intramolecular density fluctuations of macromolecules. Recently, there has been increased, strong interest in studying protein internal motions using NSE. The coherent intermediate scattering function (ISF) measured by NSE depends on internal, rotational, and translational motions of macromolecules in solutions. It is thus critical, but highly nontrivial, to separate the internal motion from other motions in order to properly understand protein internal dynamics. Even though many experiments are performed at relatively high concentrations, current theories of calculating the ISF of concentrated protein solutions are either inaccurate or flawed by incorrect assumptions for realistic protein systems with anisotropic shapes. Here, a theoretical framework is developed to establish the quantitative relationship of different motions included in the ISF. This theory based on the dynamic decoupling approximation is applicable to a wide range of protein concentrations, including dilute cases. It is also, in general, useful for studying many other types of macromolecule systems studied by NSE.

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Phys. Rev. E 95, 020501(R)– Published 16 February, 2017
  • Received 28 October 2016

©2017 American Physical Society

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