Determining Gyration Tensor of Orienting Macromolecules through Their Scattering Signature

Guan Rong Huang; Yangyang Wang; Changwoo Do; Lionel Porcar; Yuya Shinohara; Takeshi Egami; Wei Ren Chen

doi:10.1021/acs.jpclett.9b01418

Determining Gyration Tensor of Orienting Macromolecules through Their Scattering Signature

Guan Rong Huang, Yangyang Wang, Changwoo Do, Lionel Porcar, Yuya Shinohara, Takeshi Egami, Wei Ren Chen

Research output: Contribution to journal › Article › peer-review

11 Scopus citations

Abstract

A method is presented for quantitatively evaluating the shape and size of deformed particles in dispersion from their two-dimensional anisotropic spectra by small-angle scattering. By means of real spherical harmonic expansion, we derive analytical expressions of the gyration tensor R in terms of experimentally measured anisotropic scattering functions, yielding a tensorial extension of the Guinier law. We demonstrate the usefulness of this approach by a model study of an affinely deformed Gaussian chain. We further show that radius of gyration R_g is the source term of intraparticle structure factor at the mean-field limit, and from this perspective, we address the connection between R and conformation asphericity. The developed method not only facilitates quantitative scattering studies of deforming materials, but also provides insightful information regarding their deformation behavior at the molecular level based on the symmetric properties of real spherical harmonics.

Original language	English
Pages (from-to)	3978-3984
Number of pages	7
Journal	Journal of Physical Chemistry Letters
Volume	10
Issue number	14
DOIs	https://doi.org/10.1021/acs.jpclett.9b01418
State	Published - Jul 1 2019

Funding

This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan ( http://energy.gov/downloads/doe-public-access-plan ).

Funders	Funder number
Materials and Science and Engineering Division
Office of Basic Energy Sciences
U.S. Department of Energy
Office of Science
Oak Ridge National Laboratory

Access to Document

10.1021/acs.jpclett.9b01418

Cite this

@article{3e4bda63ae8a4e9c90805d0013f93c71,

title = "Determining Gyration Tensor of Orienting Macromolecules through Their Scattering Signature",

abstract = "A method is presented for quantitatively evaluating the shape and size of deformed particles in dispersion from their two-dimensional anisotropic spectra by small-angle scattering. By means of real spherical harmonic expansion, we derive analytical expressions of the gyration tensor R in terms of experimentally measured anisotropic scattering functions, yielding a tensorial extension of the Guinier law. We demonstrate the usefulness of this approach by a model study of an affinely deformed Gaussian chain. We further show that radius of gyration Rg is the source term of intraparticle structure factor at the mean-field limit, and from this perspective, we address the connection between R and conformation asphericity. The developed method not only facilitates quantitative scattering studies of deforming materials, but also provides insightful information regarding their deformation behavior at the molecular level based on the symmetric properties of real spherical harmonics.",

author = "Huang, {Guan Rong} and Yangyang Wang and Changwoo Do and Lionel Porcar and Yuya Shinohara and Takeshi Egami and Chen, {Wei Ren}",

note = "Publisher Copyright: Copyright {\textcopyright} 2019 American Chemical Society.",

year = "2019",

month = jul,

day = "1",

doi = "10.1021/acs.jpclett.9b01418",

language = "English",

volume = "10",

pages = "3978--3984",

journal = "Journal of Physical Chemistry Letters",

issn = "1948-7185",

publisher = "American Chemical Society",

number = "14",

}

TY - JOUR

T1 - Determining Gyration Tensor of Orienting Macromolecules through Their Scattering Signature

AU - Huang, Guan Rong

AU - Wang, Yangyang

AU - Do, Changwoo

AU - Porcar, Lionel

AU - Shinohara, Yuya

AU - Egami, Takeshi

AU - Chen, Wei Ren

PY - 2019/7/1

Y1 - 2019/7/1

N2 - A method is presented for quantitatively evaluating the shape and size of deformed particles in dispersion from their two-dimensional anisotropic spectra by small-angle scattering. By means of real spherical harmonic expansion, we derive analytical expressions of the gyration tensor R in terms of experimentally measured anisotropic scattering functions, yielding a tensorial extension of the Guinier law. We demonstrate the usefulness of this approach by a model study of an affinely deformed Gaussian chain. We further show that radius of gyration Rg is the source term of intraparticle structure factor at the mean-field limit, and from this perspective, we address the connection between R and conformation asphericity. The developed method not only facilitates quantitative scattering studies of deforming materials, but also provides insightful information regarding their deformation behavior at the molecular level based on the symmetric properties of real spherical harmonics.

AB - A method is presented for quantitatively evaluating the shape and size of deformed particles in dispersion from their two-dimensional anisotropic spectra by small-angle scattering. By means of real spherical harmonic expansion, we derive analytical expressions of the gyration tensor R in terms of experimentally measured anisotropic scattering functions, yielding a tensorial extension of the Guinier law. We demonstrate the usefulness of this approach by a model study of an affinely deformed Gaussian chain. We further show that radius of gyration Rg is the source term of intraparticle structure factor at the mean-field limit, and from this perspective, we address the connection between R and conformation asphericity. The developed method not only facilitates quantitative scattering studies of deforming materials, but also provides insightful information regarding their deformation behavior at the molecular level based on the symmetric properties of real spherical harmonics.

UR - http://www.scopus.com/inward/record.url?scp=85069896008&partnerID=8YFLogxK

U2 - 10.1021/acs.jpclett.9b01418

DO - 10.1021/acs.jpclett.9b01418

M3 - Article

C2 - 31262180

AN - SCOPUS:85069896008

SN - 1948-7185

VL - 10

SP - 3978

EP - 3984

JO - Journal of Physical Chemistry Letters

JF - Journal of Physical Chemistry Letters

IS - 14

ER -

Determining Gyration Tensor of Orienting Macromolecules through Their Scattering Signature

Abstract

Funding

Access to Document

Other files and links

Fingerprint

Cite this