Performance of PELDOR, RIDME, SIFTER, and DQC in measuring distances in trityl based bi- and triradicals: exchange coupling, pseudosecular coupling and multi-spin effects
Autor: | Andreas Berndhäuser, Olav Schiemann, Jean Jacques Jassoy, Andreas J. Meyer, Sebastian Spicher |
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Rok vydání: | 2018 |
Předmět: |
Coupling
Materials science 010405 organic chemistry General Physics and Astronomy Site-directed spin labeling 010402 general chemistry 01 natural sciences Molecular physics 0104 chemical sciences law.invention law Molecule Condensed Matter::Strongly Correlated Electrons Physical and Theoretical Chemistry Electron paramagnetic resonance Spin (physics) |
Zdroj: | Physical Chemistry Chemical Physics. 20:13858-13869 |
ISSN: | 1463-9084 1463-9076 |
Popis: | Electron paramagnetic resonance (EPR) based distance measurements in combination with site directed spin labeling is an important method for determining biomolecular structures and their conformational changes. Commonly used spin labels are nitroxides but trityl radicals are emerging as a new type of spin labels specifically for distance measurements. Here, a systematic evaluation is presented for the performance of different EPR pulse sequences for measuring inter-spin distances using trityl labels. The model systems used are two bistrityl and one tristrityl molecule. One bistrityl molecule has a long spin-spin separation and serves as a reference, the second one has a short inter-spin distance serving as a model case for strong and intermediate coupling and the third is a model for the influence of multi-spin effects. Experimental and theoretical approaches to cope with the effects are presented and evaluated. |
Databáze: | OpenAIRE |
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