Performance of PELDOR, RIDME, SIFTER, and DQC in measuring distances in trityl based bi- and triradicals: exchange coupling, pseudosecular coupling and multi-spin effects
文献情報
Andreas Meyer, Jean Jacques Jassoy, Sebastian Spicher, Andreas Berndhäuser, Olav Schiemann
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.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.











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