Fitting rotational correlation time from PELDOR data?
Posted: Wed Feb 19, 2020 6:29 am
Hello everybody!
For my undegrad thesis I'm using pulsed EPR spectroscopy (PELDOR/DEER) to elucidate the mechanism and structure of a nucleic acid-macromolecule reaction. To do so, I'm also interested in the values of the rotational correlation time at different experimental setups (concentrations, activities, substrates etc.).
As far as I've understood easyspin so far, it is possible to deduce the values of t_corr using easyspin by fitting given experimental CW-data with either chili or garlic models (I'd guess it is done by simulating the linewidth broadening which depends on t_corr). However, a couple things are still open to me:
1. Is it possible, to calculate/simulate values for t_corr using PELDOR or pulsed data in general as well?
2. Both garlic and chili refer to aqueous solutions of spins, however I'm working with solid state probes at 50 K - would pepper theoretically still be able to come up with some values for t_corr using solid state data or is it 'bound to crash' that way? I'd already be happy with rough values since I'm more interested in how they change at different environments/setups anyway.
I'm happy for any help! Hints at good references, resources or protocols are valued as well of course, I understand my inquiry is rather lengthy ...
Take care
For my undegrad thesis I'm using pulsed EPR spectroscopy (PELDOR/DEER) to elucidate the mechanism and structure of a nucleic acid-macromolecule reaction. To do so, I'm also interested in the values of the rotational correlation time at different experimental setups (concentrations, activities, substrates etc.).
As far as I've understood easyspin so far, it is possible to deduce the values of t_corr using easyspin by fitting given experimental CW-data with either chili or garlic models (I'd guess it is done by simulating the linewidth broadening which depends on t_corr). However, a couple things are still open to me:
1. Is it possible, to calculate/simulate values for t_corr using PELDOR or pulsed data in general as well?
2. Both garlic and chili refer to aqueous solutions of spins, however I'm working with solid state probes at 50 K - would pepper theoretically still be able to come up with some values for t_corr using solid state data or is it 'bound to crash' that way? I'd already be happy with rough values since I'm more interested in how they change at different environments/setups anyway.
I'm happy for any help! Hints at good references, resources or protocols are valued as well of course, I understand my inquiry is rather lengthy ...
Take care