Multi-Gaussian Monte Carlo Analysis of PELDOR Data in the Frequency Domain

AbstractPulsed double electron–electron resonance technique (PELDOR or DEER) is often applied to study conformations and aggregation of spin-labelled macromolecules. Because of the ill-posed nature of the integral equation determining the distance distribution function, a regularization procedure is required to restrict the smoothness of the solution. In this work, we performed PELDOR measurements for new flexible nitroxide biradicals based on trolox, which is the synthetic analogue of

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Direct Observation of Chain Lengths and Conformations in Oligofluorene Distributions from Controlled Polymerization by Double Electron-Electron Resonance

10.26434/chemrxiv.10002785 ◽

2019 ◽

Author(s):

Dennis Bücker ◽

Annika Sickinger ◽

Julian D. Ruiz Perez ◽

Manuel Oestringer ◽

Stefan Mecking ◽

...

Keyword(s):

Chain Length ◽

Length Distribution ◽

Catalyst System ◽

Chain Conformation ◽

Controlled Polymerization ◽

Chain Length Distribution ◽

Electron Resonance ◽

Double Electron ◽

The Individual ◽

Double Electron Electron Resonance

Synthetic polymers are mixtures of different length chains, and their chain length and chain conformation is often experimentally characterized by ensemble averages. We demonstrate that Double-Electron-Electron-Resonance (DEER) spectroscopy can reveal the chain length distribution, and chain conformation and flexibility of the individual n-mers in oligo-(9,9-dioctylfluorene) from controlled Suzuki-Miyaura Coupling Polymerization (cSMCP). The required spin-labeled chain ends were introduced efficiently via a TEMPO-substituted initiator and chain terminating agent, respectively, with an in situ catalyst system. Individual precise chain length oligomers as reference materials were obtained by a stepwise approach. Chain length distribution, chain conformation and flexibility can also be accessed within poly(fluorene) nanoparticles.

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In-Cell Double Electron–Electron Resonance at Nanomolar Protein Concentrations

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.1c00048 ◽

2021 ◽

pp. 3679-3684

Author(s):

Svetlana Kucher ◽

Christina Elsner ◽

Mariya Safonova ◽

Stefano Maffini ◽

Enrica Bordignon

Keyword(s):

Electron Resonance ◽

Double Electron ◽

Double Electron Electron Resonance

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Analytical solution of the PELDOR inverse problem using the integral Mellin transform

Physical Chemistry Chemical Physics ◽

10.1039/c7cp04059h ◽

2017 ◽

Vol 19 (48) ◽

pp. 32381-32388 ◽

Cited By ~ 5

Author(s):

Anna G. Matveeva ◽

Vyacheslav M. Nekrasov ◽

Alexander G. Maryasov

Keyword(s):

Inverse Problem ◽

Distribution Function ◽

Analytical Solution ◽

Short Distance ◽

Mellin Transform ◽

Distance Distribution ◽

Distance Distribution Function ◽

Distance Range ◽

Model Free ◽

Model Free Approach

The model-free approach used does not introduce systematic distortions in the computed distance distribution function between two spins and appears to result in noise grouping in the short distance range.

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