UWB DEER and RIDME distance measurements in Cu(II)–Cu(II) spin pairs

Breitgoff, Frauke D.; Keller, Katharina; Qi, Mian; Klose, Daniel; Yulikov, Maxim; Godt, Adelheid; Jeschke, Gunnar

doi:10.1016/j.jmr.2019.07.047

Cited by 38 publications

(55 citation statements)

References 112 publications

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“…However, the PELDOR time traces were still orientation selective due to the usage of rectangular detection pulses. Yet, replacing also the rectangular detection pulses by shaped ones with a bandwidth of 0.9 GHz did not lead to a further reduction of the orientation selectivity . For the Cu 2+ /nitroxide spin pair, the use of broadband shaped pulses in the PELDOR experiments was shown to be beneficial too.…”

Section: Methodsmentioning

confidence: 99%

“…Recently, the substitution of the rectangular detection pulses by shaped ones enabled the full excitation of the nitroxide spectrum and, consequently, provided the possibility to detect the entire set of nitroxide orientations in a single RIDME experiment . When applied to the Cu 2+ /Cu 2+ spin pair, RIDME measurements were shown to be less efficient due to an unavoidable trade‐off between sensitivity and modulation depth . Moreover, these measurements were usually highly orientation selective because of the selective excitation of the detected Cu 2+ spins …”

Section: Methodsmentioning

confidence: 99%

“…When applied to the Cu 2+ /Cu 2+ spin pair, RIDME measurements were shown to be less efficient due to an unavoidable trade‐off between sensitivity and modulation depth . Moreover, these measurements were usually highly orientation selective because of the selective excitation of the detected Cu 2+ spins …”

Section: Methodsmentioning

confidence: 99%

“…In the case of orientation‐selective PELDOR, the effective g ‐factors were set in accordance to the pump/detection positions . In the case of wideband PELDOR and RIDME, the effective g ‐factors were set to the average g ‐factors of the Cu 2+ ions contributing to the PDS signal …”

Section: Methodsmentioning

confidence: 99%

“…[70] Importantly, these bandwidths are comparable to the typical spectral width of Cu 2 + ions at X-(~1.8 GHz) and Q-band (~3.4 GHz). In last few years, first applications of shaped pulses in X-and Q-band PELDOR experiments on Cu 2 + /Cu 2 + [71] and Cu 2 + /nitroxide [72,73] spin pairs have been reported. For the Cu 2 + / Cu 2 + spin pairs, the PELDOR modulation depth was significantly increased when the rectangular pump pulse was replaced by a hyperbolic secant pulse with a bandwidth of up to 1.5 GHz [71] (Figure 4a,b).…”

Section: Methodology Copper(ii)mentioning

confidence: 99%

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Pulsed Dipolar EPR Spectroscopy and Metal Ions: Methodology and Biological Applications

Abdullin

Schiemann

2020

ChemPlusChem

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Pulsed dipolar electron paramagnetic resonance spectroscopy (PDS) is a valuable method for determining biomolecular structures and their conformational changes during function. Often, this method is applied to paramagnetic metal ions that are either intrinsic co‐factors of biomolecules or introduced into biomolecules as spin labels. Here, the key achievements and the remaining challenges of PDS on metal ions are summarized and critically discussed. The first part of the Review describes the methodology of PDS experiments and the related data analysis for each of the biologically relevant paramagnetic metal centers. The second part highlights applications with the aim to give an idea about what kind of questions from structural biology can be answered by PDS‐based distance measurements involving metal centers.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Methodology Copper(ii)mentioning

confidence: 99%

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Pulsed Dipolar EPR Spectroscopy and Metal Ions: Methodology and Biological Applications

Abdullin

Schiemann

2020

ChemPlusChem

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Präzise Abstandsmessungen in DNA‐G‐Quadruplex‐Dimeren und Sandwichkomplexen über gepulste dipolare EPR‐Spektroskopie

et al. 2020

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DNA‐G‐Quadruplexe weisen eine starke Tendenz zur Bildung übergeordneter Strukturen, wie π‐π‐gestapelte Dimere oder Aggregate, mit aromatischen Bindungspartnern auf. Verlässliche Methoden zur Strukturaufklärung dieser nicht‐kovalenten Addukte sind rar. Hier verwenden wir künstliche, quadratisch‐planare Cu(Pyridin)4‐Komplexe, die kovalent in tetramolekulare G‐Quadruplexe eingebaut werden, als rigide Spinmarker zum Nachweis dimerer Strukturen und zur Messung intermolekularer Cu2+‐Cu2+‐Abstände mithilfe gepulster dipolarer EPR‐Spektroskopie. Eine Reihe Schwanz‐zu‐Schwanz‐ oder Kopf‐zu‐Kopf‐gestapelter G‐Quadruplex‐Dimere konnte zweifelsfrei voneinander unterschieden werden. Gemessene Abstände stimmen sehr gut mit Ergebnissen aus Moleküldynamiksimulationen überein. Zudem wurde die Interkalation zweier bekannter G‐Quadruplexbinder, PIPER und Telomestatin, untersucht. In den Sandwichkomplexen konnten bislang unbekannte Bindungsmodi aufgedeckt werden. Zudem belegen wir, dass auch freie G‐Tetraden in Dimere interkalieren können. Unser Ansatz der Übergangsmetall‐basierten Markierung in Kombination mit gepulster EPR‐Spektroskopie öffnet neue Möglichkeiten zur Strukturanalyse nicht‐kovalenter DNA‐Aggregate.

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Modelling Conformational Flexibility in a Spectrally Addressable Molecular Multi‐Qubit Model System

et al. 2022

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Dipolar coupled multi‐spin systems have the potential to be used as molecular qubits. Herein we report the synthesis of a molecular multi‐qubit model system with three individually addressable, weakly interacting, spin 1/2 ${{ 1/2 }}$ centres of differing g‐values. We use pulsed Electron Paramagnetic Resonance (EPR) techniques to characterise and separately address the individual electron spin qubits; CuII, Cr7Ni ring and a nitroxide, to determine the strength of the inter‐qubit dipolar interaction. Orientation selective Relaxation‐Induced Dipolar Modulation Enhancement (os‐RIDME) detecting across the CuII spectrum revealed a strongly correlated CuII‐Cr7Ni ring relationship; detecting on the nitroxide resonance measured both the nitroxide and CuII or nitroxide and Cr7Ni ring correlations, with switchability of the interaction based on differing relaxation dynamics, indicating a handle for implementing EPR‐based quantum information processing (QIP) algorithms.

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UWB DEER and RIDME distance measurements in Cu(II)–Cu(II) spin pairs

Cited by 38 publications

References 112 publications

Pulsed Dipolar EPR Spectroscopy and Metal Ions: Methodology and Biological Applications

Pulsed Dipolar EPR Spectroscopy and Metal Ions: Methodology and Biological Applications

Präzise Abstandsmessungen in DNA‐G‐Quadruplex‐Dimeren und Sandwichkomplexen über gepulste dipolare EPR‐Spektroskopie

Modelling Conformational Flexibility in a Spectrally Addressable Molecular Multi‐Qubit Model System

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