Your browser doesn't support javascript.
loading
Analytical solution of the PELDOR inverse problem using the integral Mellin transform.
Matveeva, Anna G; Nekrasov, Vyacheslav M; Maryasov, Alexander G.
Afiliação
  • Matveeva AG; Voevodsky Institute of Chemical Kinetics and Combustion, 630090 Novosibirsk, Russia. anna.matveeva86@gmail.com.
Phys Chem Chem Phys ; 19(48): 32381-32388, 2017 Dec 13.
Article em En | MEDLINE | ID: mdl-29185558
We describe a new model-free approach to solve the inverse problem in pulsed double electron-electron resonance (PELDOR, also known as DEER) spectroscopy and obtain the distance distribution function between two radicals from time-domain PELDOR data. The approach is based on analytical solutions of the Fredholm integral equations of the first kind using integral Mellin transforms to provide the distance distribution function directly. The approach appears to confine the noise in the computed distance distribution to short distances and does not introduce systematic distortions. Thus, the proposed analysis method can be a useful supplement to current methods to determine complicated distance distributions.

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2017 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2017 Tipo de documento: Article