Ashley Clark, Jessica Sedhom, Hanan Elajaili, Gareth R. Eaton, Sandra S. Eaton
{"title":"Dependence of electron paramagnetic resonance spectral lineshapes on molecular tumbling: Nitroxide radical in water:glycerol mixtures","authors":"Ashley Clark, Jessica Sedhom, Hanan Elajaili, Gareth R. Eaton, Sandra S. Eaton","doi":"10.1002/cmr.a.21423","DOIUrl":null,"url":null,"abstract":"<p>Electron paramagnetic resonance spectra of nitroxide radicals are reporters of molecular tumbling correlation times. The concepts of electron paramagnetic resonance and molecular tumbling are demonstrated by examination of spectra of the radical tempol (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-oxyl) in water:glycerol mixtures. Analysis of the spectral line shapes with the Kivelson model and computer simulation with EasySpin are discussed. Values of the tumbling correlation times obtained by the two methods are shown to be in good agreement. Comparison of the experimental tumbling correlation times with values calculated with the Stokes-Einstein model indicates a slip coefficient of 0.066, which is consistent with other reports for nitroxides in various solvents.</p>","PeriodicalId":55216,"journal":{"name":"Concepts in Magnetic Resonance Part A","volume":"45A 5","pages":""},"PeriodicalIF":0.4000,"publicationDate":"2018-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/cmr.a.21423","citationCount":"11","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Concepts in Magnetic Resonance Part A","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/cmr.a.21423","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 11
Abstract
Electron paramagnetic resonance spectra of nitroxide radicals are reporters of molecular tumbling correlation times. The concepts of electron paramagnetic resonance and molecular tumbling are demonstrated by examination of spectra of the radical tempol (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-oxyl) in water:glycerol mixtures. Analysis of the spectral line shapes with the Kivelson model and computer simulation with EasySpin are discussed. Values of the tumbling correlation times obtained by the two methods are shown to be in good agreement. Comparison of the experimental tumbling correlation times with values calculated with the Stokes-Einstein model indicates a slip coefficient of 0.066, which is consistent with other reports for nitroxides in various solvents.
期刊介绍:
Concepts in Magnetic Resonance Part A brings together clinicians, chemists, and physicists involved in the application of magnetic resonance techniques. The journal welcomes contributions predominantly from the fields of magnetic resonance imaging (MRI), nuclear magnetic resonance (NMR), and electron paramagnetic resonance (EPR), but also encourages submissions relating to less common magnetic resonance imaging and analytical methods.
Contributors come from academic, governmental, and clinical communities, to disseminate the latest important experimental results from medical, non-medical, and analytical magnetic resonance methods, as well as related computational and theoretical advances.
Subject areas include (but are by no means limited to):
-Fundamental advances in the understanding of magnetic resonance
-Experimental results from magnetic resonance imaging (including MRI and its specialized applications)
-Experimental results from magnetic resonance spectroscopy (including NMR, EPR, and their specialized applications)
-Computational and theoretical support and prediction for experimental results
-Focused reviews providing commentary and discussion on recent results and developments in topical areas of investigation
-Reviews of magnetic resonance approaches with a tutorial or educational approach