Accessing distributions of exchange and dipolar couplings in stiff molecular rulers with Cu(<scp>ii</scp>) centres

Keller, Katharina; Ritsch, Irina; Hintz, Henrik; Hülsmann, Miriam; Qi, Mian; Breitgoff, Frauke D.; Klose, Daniel; Polyhach, Yevhen; Yulikov, Maxim; Godt, Adelheid; Jeschke, Gunnar

doi:10.1039/d0cp03105d

Cited by 11 publications

(10 citation statements)

References 115 publications

(180 reference statements)

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“…To the best of our knowledge, no published data exceeds a nitroxide-Cu(II) RIDME or DEER measurement greater than 4 nm [26,29,[32][33][34][35], thereby making…”

Section: Discussionmentioning

confidence: 97%

“…RIDME time traces typically also have an increased number of artefacts caused by improper phase-cycling of the pulses which can further reduce the quality/reliability of the acquired result. The literature for nitroxide-Cu(II) distance measurements by DEER and RIDME cover the same range of distances with no published data exceeding, to the best of our knowledge, 4 nm [26,29,[32][33][34][35].…”

Section: Introductionmentioning

confidence: 89%

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DEER and RIDME Measurements of the Nitroxide-Spin Labelled Copper-Bound Amine Oxidase Homodimer from Arthrobacter Globiformis

et al. 2021

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In the study of biological structures, pulse dipolar spectroscopy (PDS) is used to elucidate spin–spin distances at nanometre-scale by measuring dipole–dipole interactions between paramagnetic centres. The PDS methods of Double Electron Electron Resonance (DEER) and Relaxation Induced Dipolar Modulation Enhancement (RIDME) are employed, and their results compared, for the measurement of the dipolar coupling between nitroxide spin labels and copper-II (Cu(II)) paramagnetic centres within the copper amine oxidase from Arthrobacter globiformis (AGAO). The distance distribution results obtained indicate that two distinct distances can be measured, with the longer of these at c.a. 5 nm. Conditions for optimising the RIDME experiment such that it may outperform DEER for these long distances are discussed. Modelling methods are used to show that the distances obtained after data analysis are consistent with the structure of AGAO.

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“…To the best of our knowledge, no published data exceeds a nitroxide-Cu(II) RIDME or DEER measurement greater than 4 nm [26,29,[32][33][34][35], thereby making…”

Section: Discussionmentioning

confidence: 97%

Section: Introductionmentioning

confidence: 89%

DEER and RIDME Measurements of the Nitroxide-Spin Labelled Copper-Bound Amine Oxidase Homodimer from Arthrobacter Globiformis

et al. 2021

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“…This is why we can say that Λ connects the pair of the states. After substitution ( 12) and ( 13) to (10):…”

Section: Derivationmentioning

confidence: 99%

Diffusion equation for the longitudinal spectral diffusion: the case of the RIDME experiment

Kuzin

Jeschke

Yulikov

2022

Phys. Chem. Chem. Phys.

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“…We adhered to the established strategy 39,46,47 to attach the PEG substituents rather late in the reaction sequence in order to minimize the cases in which a highly polar and water soluble compound needs to be isolated. Both nitroxides were constructed using iodide 2.…”

Section: Synthesis Of H-mnopeg and D-mnopegmentioning

confidence: 99%

Dynamical decoupling in water–glycerol glasses: a comparison of nitroxides, trityl radicals and gadolinium complexes

Soetbeer

Millen

Zouboulis

et al. 2021

Phys. Chem. Chem. Phys.

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Accessing distributions of exchange and dipolar couplings in stiff molecular rulers with Cu(ii) centres

Abstract: Determining distributed exchange couplings is important for understanding the properties of synthetic magnetic molecules. Such distributions can be determined from pulsed dipolar spectroscopy (PDS) data, but this is challenging due...

Cited by 11 publications

References 115 publications

DEER and RIDME Measurements of the Nitroxide-Spin Labelled Copper-Bound Amine Oxidase Homodimer from Arthrobacter Globiformis

DEER and RIDME Measurements of the Nitroxide-Spin Labelled Copper-Bound Amine Oxidase Homodimer from Arthrobacter Globiformis

Diffusion equation for the longitudinal spectral diffusion: the case of the RIDME experiment

Dynamical decoupling in water–glycerol glasses: a comparison of nitroxides, trityl radicals and gadolinium complexes

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