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Other literature type . 2025
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Presentation . 2025
License: CC BY
Data sources: Datacite
ZENODO
Presentation . 2025
License: CC BY
Data sources: Datacite
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Why would you need an EPR spectroscopist?

Authors: Biskup, Till;

Why would you need an EPR spectroscopist?

Abstract

Electron paramagnetic resonance (EPR) spectroscopy is a powerful method to help unravel reaction mechanisms involving paramagnetic states such as radicals or transition metal ions. Other applications involve (light-induced) electron transfer in biological systems and materials as well as insight into the structure–function relationship of organic semiconductors. Here, we demonstrate the power of conventional continuous-wave (cw) EPR spectroscopy at moderate magnetic fields and frequencies (X-band) [1], with a special focus on time-resolved (tr-EPR) investigation of short-lived, light-induced paramagnetic states. In a series of case studies, we show its application to biological electron transfer [2] and triplet states in organic semiconductors [3]. Particularly interesting are effects of excitation wavelength on the paramagnetic states created [4], in analogy to precision photochemistry in photocatalysis [5]. cw-EPR spectroscopy is particularly suited, but by far not limited, to investigate doping mechanisms in organic semiconductors, including orientation between dopant and host polymer [6]. Further plans for methods development include a 3D tr-EPR experiment with the wavelength as third variable (besides time and magnetic field) and largely automated in-situ spectro-electrochemistry within a cw-EPR spectrometer, allowing for routine measurements of larger amounts of samples. To make a genuine contribution to science, we not only require long-standing experience, but we need to develop and competently use the necessary (nowadays digital) tools as well. To this end, we have developed a format to collect all relevant metadata during data acquisition [7], an electronic lab notebook (ELN) [8], a framework for data analysis providing a gap-less record from the raw data to the final publication [9] together with dedicated packages for cw-EPR [10] and tr-EPR [11] data, and a larger digital laboratory infrastructure [12] including a repository for “warm” research data. The last step is to educate students and scientists how to develop software [13] and handle research data according to scientific standards [14]. “At stake is the future of scholarship.”[15] References[1] EPR spectroscopy for the 21st century, https://www.epr-21.de/[2] T. Biskup, Time-resolved EPR of radical pair intermediates in cryptochromes, Mol. Phys. 2013, 111:3698–3703[3] T. Biskup, Structure–function relationship of organic semiconductors: Detailed insights from time-resolved EPRspectroscopy, Front. Chem. 2019, 7:10[4] D. L. Meyer, F. Lombeck, S. Huettner, M. Sommer, T. Biskup, Direct S0→T excitation of a conjugated polymerrepeat unit: unusual spin-forbidden transitions probed by time-resolved electron paramagnetic resonancespectroscopy, J. Phys. Chem. Lett. 2017, 8:1677–1682[5] J. P. Menzel, B. B. Noble, J. P. Blinco, C. Barner-Kowollik, Predicting wavelength-dependent photochemicalreactivity and selectivity, Nat. Comm. 2021, 12:1691[6] T. Biskup, Doping of organic semiconductors: Insights from EPR spectroscopy, Appl. Phys. Lett. 2021, 119:010503[7] B. Paulus, T. Biskup, Towards more reproducible and FAIRer research data: documenting provenance during dataacquisition using the Infofile format, Digit. Discov. 2023, 2:234[8] M. Schröder, T. Biskup, LabInform ELN: A lightweight and flexible electronic laboratory notebook for academicresearch based on the open-source software DokuWiki, ChemRxiv 2023, doi:10.26434/chemrxiv-2023-2tvct[9] J. Popp, T. Biskup, ASpecD: A modular framework for the analysis of spectroscopic data focussing on reproducibilityand good scientific practice, Chem. Meth. 2022, 2:e202100097[10] M. Schröder, T. Biskup, cwepr – A Python package for analysing cw-EPR data focussing on reproducibility andsimple usage, J. Magn. Reson. 2022, 335:107140[11] J. Popp, M. Schröder, T. Biskup, trepr Python package, Zenodo 2021, doi:10.5281/zenodo.4897112[12] T. Biskup, LabInform: A modular laboratory information system built from open source components, ChemRxiv2022, doi:10.26434/chemrxiv-2022-vz360[13] Vorlesung “Wissenschaftliche Softwareentwicklung”, https://www.till-biskup.de/de/lehre/softwareentwicklung/[14] Vorlesung “Forschungsdatenmanagement”, https://www.till-biskup.de/de/lehre/forschungsdatenmanagement/[15] C. L. Borgman, Big Data, Little Data, No Data. MIT Press, Cambridge MA 2015.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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