Three-spin correlations in double electron-electron resonance

Jeschke G, Sajid M, Schulte M, Godt A (2009)

Zeitschriftenaufsatz | Veröffentlicht | Englisch
Es wurden keine Dateien hochgeladen. Nur Publikationsnachweis!
Jeschke, Gunnar; Sajid, MuhammadUniBi; Schulte, Miriam; Godt, AdelheidUniBi
Abstract / Bemerkung
Distance measurements by pulse electron paramagnetic resonance techniques are increasingly applied to systems that contain more than two spin labels. Under typical experimental conditions this leads to signal contributions from sum and difference combinations of dipolar frequencies. As these contributions are neglected in the expressions used in data analysis they cause artifacts in distance distributions. It is shown that the artifacts lead to substantial broadening of the distance distribution. By measuring double electron-electron resonance (DEER) data with variable inversion efficiency of the pump pulse and fitting the data at each point in time by appropriate polynomials the pair contribution can be separated from the three-spin contribution. Experiments on a conformationally invariant triradical with equilateral triangle geometry and the corresponding biradical with the same interspin distance demonstrate that this approach leads to a considerable improvement in the distance distribution. The three-spin contribution is shown to provide information on angles between spin-spin vectors. Data for a series of triradicals with equilateral, isosceles, and scalene triangle geometry are analysed by fitting a general triangle model simultaneously to the dipolar spectra of the pair and three-spin contribution. The agreement with the expected side lengths of the triangles is satisfying.
Page URI


Jeschke G, Sajid M, Schulte M, Godt A. Three-spin correlations in double electron-electron resonance. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 2009;11(31):6580-6591.
Jeschke, G., Sajid, M., Schulte, M., & Godt, A. (2009). Three-spin correlations in double electron-electron resonance. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 11(31), 6580-6591.
Jeschke, Gunnar, Sajid, Muhammad, Schulte, Miriam, and Godt, Adelheid. 2009. “Three-spin correlations in double electron-electron resonance”. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 11 (31): 6580-6591.
Jeschke, G., Sajid, M., Schulte, M., and Godt, A. (2009). Three-spin correlations in double electron-electron resonance. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 11, 6580-6591.
Jeschke, G., et al., 2009. Three-spin correlations in double electron-electron resonance. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 11(31), p 6580-6591.
G. Jeschke, et al., “Three-spin correlations in double electron-electron resonance”, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 11, 2009, pp. 6580-6591.
Jeschke, G., Sajid, M., Schulte, M., Godt, A.: Three-spin correlations in double electron-electron resonance. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 11, 6580-6591 (2009).
Jeschke, Gunnar, Sajid, Muhammad, Schulte, Miriam, and Godt, Adelheid. “Three-spin correlations in double electron-electron resonance”. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 11.31 (2009): 6580-6591.

53 Zitationen in Europe PMC

Daten bereitgestellt von Europe PubMed Central.

Interpretation of spectroscopic data using molecular simulations for the secondary active transporter BetP.
Leone V, Waclawska I, Kossmann K, Koshy C, Sharma M, Prisner TF, Ziegler C, Endeward B, Forrest LR., J Gen Physiol 151(3), 2019
PMID: 30728216
Comparison of the functional properties of trimeric and monomeric CaiT of Escherichia coli.
Bracher S, Hilger D, Guérin K, Polyhach Y, Jeschke G, Krafczyk R, Giacomelli G, Jung H., Sci Rep 9(1), 2019
PMID: 30846799
Dynamical decoupling of nitroxides in o-terphenyl: a study of temperature, deuteration and concentration effects.
Soetbeer J, Hülsmann M, Godt A, Polyhach Y, Jeschke G., Phys Chem Chem Phys 20(3), 2018
PMID: 29261205
Alamethicin self-assembling in lipid membranes: concentration dependence from pulsed EPR of spin labels.
Syryamina VN, De Zotti M, Toniolo C, Formaggio F, Dzuba SA., Phys Chem Chem Phys 20(5), 2018
PMID: 29340383
Synthesis of Nanometer Sized Bis- and Tris-trityl Model Compounds with Different Extent of Spin-Spin Coupling.
Jassoy JJ, Meyer A, Spicher S, Wuebben C, Schiemann O., Molecules 23(3), 2018
PMID: 29562622
Nitroxide-nitroxide and nitroxide-metal distance measurements in transition metal complexes with two or three paramagnetic centres give access to thermodynamic and kinetic stabilities.
Giannoulis A, Ackermann K, Spindler PE, Higgins C, Cordes DB, Slawin AMZ, Prisner TF, Bode BE., Phys Chem Chem Phys 20(16), 2018
PMID: 29629718
A facile approach for the in vitro assembly of multimeric membrane transport proteins.
Riederer EA, Focke PJ, Georgieva ER, Akyuz N, Matulef K, Borbat PP, Freed JH, Blanchard SC, Boudker O, Valiyaveetil FI., Elife 7(), 2018
PMID: 29889023
Deep neural network processing of DEER data.
Worswick SG, Spencer JA, Jeschke G, Kuprov I., Sci Adv 4(8), 2018
PMID: 30151430
Double electron-electron resonance with multiple non-selective chirp refocusing.
Doll A, Jeschke G., Phys Chem Chem Phys 19(2), 2017
PMID: 27976758
Pulsed triple electron resonance (TRIER) for dipolar correlation spectroscopy.
Pribitzer S, Sajid M, Hülsmann M, Godt A, Jeschke G., J Magn Reson 282(), 2017
PMID: 28802243
Sparse Labeling PELDOR Spectroscopy on Multimeric Mechanosensitive Membrane Channels.
Ackermann K, Pliotas C, Valera S, Naismith JH, Bode BE., Biophys J 113(9), 2017
PMID: 29117521
EPR Studies of V-ATPase with Spin-Labeled Inhibitors DCC and Archazolid: Interaction Dynamics with Proton Translocating Subunit c.
Gölz JP, Bockelmann S, Mayer K, Steinhoff HJ, Wieczorek H, Huss M, Klare JP, Menche D., ChemMedChem 11(4), 2016
PMID: 26662886
Accurate Extraction of Nanometer Distances in Multimers by Pulse EPR.
Valera S, Ackermann K, Pliotas C, Huang H, Naismith JH, Bode BE., Chemistry 22(14), 2016
PMID: 26865468
Separation of intra- and intermolecular contributions to the PELDOR signal.
Schöps P, Plackmeyer J, Marko A., J Magn Reson 269(), 2016
PMID: 27243966
Conformational Response of Influenza A M2 Transmembrane Domain to Amantadine Drug Binding at Low pH (pH 5.5).
Georgieva ER, Borbat PP, Grushin K, Stoilova-McPhie S, Kulkarni NJ, Liang Z, Freed JH., Front Physiol 7(), 2016
PMID: 27524969
Quantitative Resolution of Monomer-Dimer Populations by Inversion Modulated DEER EPR Spectroscopy.
Schmidt T, Ghirlando R, Baber J, Clore GM., Chemphyschem 17(19), 2016
PMID: 27442455
Long Distance Measurements up to 160 Å in the GroEL Tetradecamer Using Q-Band DEER EPR Spectroscopy.
Schmidt T, Wälti MA, Baber JL, Hustedt EJ, Clore GM., Angew Chem Int Ed Engl 55(51), 2016
PMID: 27860003
Gd(III)-Gd(III) EPR distance measurements--the range of accessible distances and the impact of zero field splitting.
Dalaloyan A, Qi M, Ruthstein S, Vega S, Godt A, Feintuch A, Goldfarb D., Phys Chem Chem Phys 17(28), 2015
PMID: 26108866
Mechanism of influenza A M2 transmembrane domain assembly in lipid membranes.
Georgieva ER, Borbat PP, Norman HD, Freed JH., Sci Rep 5(), 2015
PMID: 26190831
A Straightforward Approach to the Analysis of Double Electron-Electron Resonance Data.
Stein RA, Beth AH, Hustedt EJ., Methods Enzymol 563(), 2015
PMID: 26478498
Probing the structure of the mechanosensitive channel of small conductance in lipid bilayers with pulsed electron-electron double resonance.
Ward R, Pliotas C, Branigan E, Hacker C, Rasmussen A, Hagelueken G, Booth IR, Miller S, Lucocq J, Naismith JH, Schiemann O., Biophys J 106(4), 2014
PMID: 24559986
Gd3+ spin labeling for distance measurements by pulse EPR spectroscopy.
Goldfarb D., Phys Chem Chem Phys 16(21), 2014
PMID: 24429839
Tau binds to lipid membrane surfaces via short amphipathic helices located in its microtubule-binding repeats.
Georgieva ER, Xiao S, Borbat PP, Freed JH, Eliezer D., Biophys J 107(6), 2014
PMID: 25229151
Nitroxide-labeled pyrimidines for non-covalent spin-labeling of abasic sites in DNA and RNA duplexes.
Shelke SA, Sandholt GB, Sigurdsson ST., Org Biomol Chem 12(37), 2014
PMID: 25119508
An algorithm to analyze PELDOR data of rigid spin label pairs.
Marko A, Prisner TF., Phys Chem Chem Phys 15(2), 2013
PMID: 23183777
Conformational ensemble of the sodium-coupled aspartate transporter.
Georgieva ER, Borbat PP, Ginter C, Freed JH, Boudker O., Nat Struct Mol Biol 20(2), 2013
PMID: 23334289
Conformational heterogeneity of the aspartate transporter Glt(Ph).
Hänelt I, Wunnicke D, Bordignon E, Steinhoff HJ, Slotboom DJ., Nat Struct Mol Biol 20(2), 2013
PMID: 23334291
Suppression of ghost distances in multiple-spin double electron-electron resonance.
von Hagens T, Polyhach Y, Sajid M, Godt A, Jeschke G., Phys Chem Chem Phys 15(16), 2013
PMID: 23487036
Using bound fatty acids to disclose the functional structure of serum albumin.
Reichenwallner J, Hinderberger D., Biochim Biophys Acta 1830(12), 2013
PMID: 23643928
PELDOR in rotationally symmetric homo-oligomers.
Giannoulis A, Ward R, Branigan E, Naismith JH, Bode BE., Mol Phys 111(18-19), 2013
PMID: 24954956
The topology, in model membranes, of the core peptide derived from the T-cell receptor transmembrane domain.
Matalon E, Faingold O, Eisenstein M, Shai Y, Goldfarb D., Chembiochem 14(14), 2013
PMID: 23881822
Rigid core and flexible terminus: structure of solubilized light-harvesting chlorophyll a/b complex (LHCII) measured by EPR.
Dockter C, Müller AH, Dietz C, Volkov A, Polyhach Y, Jeschke G, Paulsen H., J Biol Chem 287(4), 2012
PMID: 22147706
DEER distance measurements on proteins.
Jeschke G., Annu Rev Phys Chem 63(), 2012
PMID: 22404592
Asymmetry in the homodimeric ABC transporter MsbA recognized by a DARPin.
Mittal A, Böhm S, Grütter MG, Bordignon E, Seeger MA., J Biol Chem 287(24), 2012
PMID: 22523072
High sensitivity and versatility of the DEER experiment on nitroxide radical pairs at Q-band frequencies.
Polyhach Y, Bordignon E, Tschaggelar R, Gandra S, Godt A, Jeschke G., Phys Chem Chem Phys 14(30), 2012
PMID: 22751953
Conformational state of the MscS mechanosensitive channel in solution revealed by pulsed electron-electron double resonance (PELDOR) spectroscopy.
Pliotas C, Ward R, Branigan E, Rasmussen A, Hagelueken G, Huang H, Black SS, Booth IR, Schiemann O, Naismith JH., Proc Natl Acad Sci U S A 109(40), 2012
PMID: 23012406
A short note on the analysis of distance measurements by electron paramagnetic resonance.
Domingo Köhler S, Spitzbarth M, Diederichs K, Exner TE, Drescher M., J Magn Reson 208(1), 2011
PMID: 21044853
Pulsed dipolar spectroscopy distance measurements in biomacromolecules labeled with Gd(III) markers.
Song Y, Meade TJ, Astashkin AV, Klein EL, Enemark JH, Raitsimring A., J Magn Reson 210(1), 2011
PMID: 21388847
DEER in biological multispin-systems: a case study on the fatty acid binding to human serum albumin.
Junk MJ, Spiess HW, Hinderberger D., J Magn Reson 210(2), 2011
PMID: 21450500
W-Band pulse EPR distance measurements in peptides using Gd(3+)-dipicolinic acid derivatives as spin labels.
Gordon-Grossman M, Kaminker I, Gofman Y, Shai Y, Goldfarb D., Phys Chem Chem Phys 13(22), 2011
PMID: 21552622
Mechanism of multivalent carbohydrate-protein interactions studied by EPR spectroscopy.
Braun P, Nägele B, Wittmann V, Drescher M., Angew Chem Int Ed Engl 50(36), 2011
PMID: 21739541
A triple spin-labeling strategy coupled with DEER analysis to detect DNA modifications and enzymatic repair.
Flaender M, Sicoli G, Aci-Seche S, Reignier T, Maurel V, Saint-Pierre C, Boulard Y, Gambarelli S, Gasparutto D., Chembiochem 12(17), 2011
PMID: 21984076
Polar tagging in the synthesis of monodisperse oligo(p-phenyleneethynylene)s and an update on the synthesis of oligoPPEs.
Sahoo D, Thiele S, Schulte M, Ramezanian N, Godt A., Beilstein J Org Chem 6(), 2010
PMID: 20625532
Conformationally unambiguous spin labeling for distance measurements.
Sajid M, Jeschke G, Wiebcke M, Godt A., Chemistry 15(47), 2009
PMID: 19847831

34 References

Daten bereitgestellt von Europe PubMed Central.

Milov, Fiz. Tverd. Tela (Leningrad) 23(), 1981

Saxena, Chem. Phys. Lett. 251(), 1996

Milov, Appl. Magn. Reson. 15(), 1998
Dead-time free measurement of dipole-dipole interactions between electron spins.
Pannier M, Veit S, Godt A, Jeschke G, Spiess HW., J. Magn. Reson. 142(2), 2000
PMID: 10648151

Jeschke, Macromol. Rapid Commun. 23(), 2002
Long-range distance determinations in biomacromolecules by EPR spectroscopy.
Schiemann O, Prisner TF., Q. Rev. Biophys. 40(1), 2007
PMID: 17565764
Direct conversion of EPR dipolar time evolution data to distance distributions.
Jeschke G, Koch A, Jonas U, Godt A., J. Magn. Reson. 155(1), 2002
PMID: 11945035

Jeschke, Appl. Magn. Reson. 26(), 2004
The determination of pair distance distributions by pulsed ESR using Tikhonov regularization.
Chiang YW, Borbat PP, Freed JH., J. Magn. Reson. 172(2), 2005
PMID: 15649755

Jeschke, Appl. Magn. Reson. 30(), 2006
Localization of the N-terminal domain in light-harvesting chlorophyll a/b protein by EPR measurements.
Jeschke G, Bender A, Schweikardt T, Panek G, Decker H, Paulsen H., J. Biol. Chem. 280(19), 2005
PMID: 15755729

Jeschke, Lect. Notes Phys. 684(), 2006

Milov, Chem. Phys. Lett. 110(), 1984
Assessing oligomerization of membrane proteins by four-pulse DEER: pH-dependent dimerization of NhaA Na+/H+ antiporter of E. coli.
Hilger D, Jung H, Padan E, Wegener C, Vogel KP, Steinhoff HJ, Jeschke G., Biophys. J. 89(2), 2005
PMID: 15894644
Counting the monomers in nanometer-sized oligomers by pulsed electron-electron double resonance.
Bode BE, Margraf D, Plackmeyer J, Durner G, Prisner TF, Schiemann O., J. Am. Chem. Soc. 129(21), 2007
PMID: 17487970

Hagelueken, Angew. Chem., Int. Ed. 48(), 2009

Schiemann, Angew. Chem., Int. Ed. 48(), 2009

Pavlikov, Izv. Akad. Nauk SSSR, Ser. Khim. (), 1980

Pavlikov, Bull. Acad. Sci. USSR Div. Chem. Sci. (Engl. Transl.) 29(), 1980

Kokorin, Dokl. Akad. Nauk SSSR 253(), 1980

Cevasco, Eur. J. Org. Chem. (), 1998

Ting, Macromolecules 35(), 2002

Alami, Tetrahedron Lett. 34(), 1993
EPR probes with well-defined, long distances between two or three unpaired electrons
Godt A, Franzen C, Veit S, Enkelmann V V, Pannier M, Jeschke G., J. Org. Chem. 65(22), 2000
PMID: 11076617

Godt, Angew. Chem., Int. Ed. 45(), 2006

Milov, Appl. Magn. Reson. 12(), 1997

Rist, J. Chem. Phys. 52(), 1970

Larsen, J. Chem. Phys. 98(), 1993

Maryasov, Appl. Magn. Reson. 18(), 2000

Milov, Appl. Magn. Reson. 26(), 2004
Distance measurements in the borderline region of applicability of CW EPR and DEER: a model study on a homologous series of spin-labelled peptides.
Banham JE, Baker CM, Ceola S, Day IJ, Grant GH, Groenen EJ, Rodgers CT, Jeschke G, Timmel CR., J. Magn. Reson. 191(2), 2007
PMID: 18280189

Markieren/ Markierung löschen
Markierte Publikationen

Open Data PUB

Web of Science

Dieser Datensatz im Web of Science®

PMID: 19639133
PubMed | Europe PMC

Suchen in

Google Scholar