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Molecules
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Applications of EPR Spectroscopy in Various Fields of Scientific Research
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Applications of EPR Spectroscopy in Various Fields of Scientific Research

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Analytical Chemistry".

Deadline for manuscript submissions: 30 June 2026 | Viewed by 4507

Special Issue Editor

Dr. Yordanka Karakirova

E-Mail Website
Guest Editor
Centre of EPR Spectroscopy, Institute of Catalysis, Bulgarian Academy of Sciences, Acad. G. Bonchev Str., Bldg. 11, 1113 Sofia, Bulgaria
Interests: dosimetry; EPR spectroscopy; UV-Vis spectrometry; free radicals; investigation of irradiated substances; catalysis; environmental
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Electron paramagnetic resonance (EPR) spectroscopy is a method that can find “a needle in a haystack”. This is due to its high selectivity only for paramagnetic substances. Thus, specific information about the center with unpaired electrons and its interaction with the environment can be obtained. Thanks to its high sensitivity and un-destructive character of the measurements, EPR spectroscopy is widely used in various fields of science, such as biology, chemistry, and physics. It is successfully applied for the detection and identification of free radicals in the solid, liquid, or gaseous state, paramagnetic centers such as F-centers, and ions of transit metals. Due to its advantages, during the last few years, the application of EPR spectroscopy in various fields of research has increased.

In this Special Issue, I aim to compile studies that are dealing with the use of EPR spectroscopy for free radical reactions in dosimetry, archeology, the examination of bio-molecules as enzymes, vitamins, lipids, etc., for the characterization of paramagnetic complexes and reactive intermediates in catalysis and many other applications.

It is my pleasure to invite you to contribute an original research paper, short communication, or review to this Special Issue.

Dr. Yordanka Karakirova
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • EPR spectroscopy
  • free radicals
  • paramagnetic species
  • dosimetry
  • food technology
  • archeology
  • environmental
  • catalysis

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Published Papers (4 papers)

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Research

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18 pages, 2321 KB  
Article
Electron Paramagnetic Resonance Study of Radiation-Induced Defects in Ba3(PO4)2
by Henk Vrielinck, Wouter Holvoet, Dominykas Augulis, Eliot Janssens, David Van der Heggen and Dirk Poelman
Molecules 2026, 31(6), 1045; https://doi.org/10.3390/molecules31061045 - 20 Mar 2026
Viewed by 388
Abstract
We report an electron paramagnetic resonance (EPR) study of radiation-induced defects in Ba3(PO4)2, aiming to understand their role in radio-photoluminescence (RPL). Ba3(PO4)2 is a promising host for rare-earth dopants in optical and [...] Read more.
We report an electron paramagnetic resonance (EPR) study of radiation-induced defects in Ba3(PO4)2, aiming to understand their role in radio-photoluminescence (RPL). Ba3(PO4)2 is a promising host for rare-earth dopants in optical and dosimetric applications. We compare the effects of ultraviolet (UV) and X-ray irradiation on the electron trapping by Eu3+, as well as the formation of intrinsic defects by radiation in Eu-doped and undoped samples. Both irradiation types generate Eu2+ centers with axial symmetry at one specific Ba lattice site, as confirmed by Q-band EPR. Additional EPR signals near g≈2 reveal radiation-induced centers unrelated to Eu dopants. Detailed analysis of X- and Q-band spectra identifies an H0 center and two electron-trapping defects, one tentatively assigned to an oxygen vacancy (F-type center). These findings pave the way for understanding the complex defect landscape governing charge trapping and stability in Ba3(PO4)2. Full article
(This article belongs to the Special Issue Applications of EPR Spectroscopy in Various Fields of Scientific Research)
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13 pages, 1526 KB  
Article
Utilization of Alanine Dosimetry for 10 MV Photon Beam Dose Evaluation
by HyoJin Kim, Jeung Kee Kim, Jieun Lee, Hee Jin Jang, Yong-Uk Kye, Jeong-Hwa Baek, Wol Soon Jo, Doyoung Jung and Yeong-Rok Kang
Molecules 2026, 31(6), 971; https://doi.org/10.3390/molecules31060971 - 13 Mar 2026
Viewed by 362
Abstract
Radiation therapy is a crucial treatment method that delivers a high dose of radiation to localized areas. Therefore, ensuring the accuracy of the radiation dose from the radiation generator is essential. Alanine dosimetry offers the advantage of being equivalent to water and tissue [...] Read more.
Radiation therapy is a crucial treatment method that delivers a high dose of radiation to localized areas. Therefore, ensuring the accuracy of the radiation dose from the radiation generator is essential. Alanine dosimetry offers the advantage of being equivalent to water and tissue and is thus a valuable tool for estimating radiation doses in the human body. In this study, we aimed to assess the feasibility of utilizing electron paramagnetic resonance (EPR)/alanine dosimetry for quality control of medical linear accelerators (LINACs). The EPR signal and slope of the dose-response curve were compared with the number of alanine dosimeters per dose using a 10 MV linear accelerator, and the measurement uncertainty was evaluated. The signal increased by approximately 0.03 per 1 Gy per count, in conjunction with the slope of the dose-response curve. The measurement uncertainty, estimated based on the synthesis of eight numerical factors of the uncertainty propagation law, was approximately 2.49–4.19% (k = 1). The findings of this study suggest that the EPR/alanine dosimetry system can be reliably applied for quality control of 10 MV photon beams under the investigated experimental conditions. Full article
(This article belongs to the Special Issue Applications of EPR Spectroscopy in Various Fields of Scientific Research)
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Review

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19 pages, 3189 KB  
Review
Electron Paramagnetic Resonance Spectroscopy to Evaluate the Oxidative Stability of Beer, Wine, and Oils
by Michele Segantini, Angela Fadda and Daniele Sanna
Molecules 2026, 31(1), 41; https://doi.org/10.3390/molecules31010041 - 22 Dec 2025
Viewed by 1134
Abstract
Oxidative stability plays an important role in determining the quality of oxidation-sensitive foods and beverages such as beer, wine, and edible oils. Oxidation occurs through radical chain reactions producing off-flavors and leading to deterioration and decrease in the quality and nutritional value of [...] Read more.
Oxidative stability plays an important role in determining the quality of oxidation-sensitive foods and beverages such as beer, wine, and edible oils. Oxidation occurs through radical chain reactions producing off-flavors and leading to deterioration and decrease in the quality and nutritional value of food and beverages. In this context, electron paramagnetic resonance (EPR) spectroscopy has emerged as a powerful and selective technique for investigating reactions involving paramagnetic species, particularly free radicals and transition metal ions. This review provides a critical overview of the applications of EPR spectroscopy in the study of the oxidative stability and antioxidant activity of the above-mentioned matrices. It highlights the main methodological approaches that this technique can offer to gain insight into oxidative processes. Furthermore, current advances in low-cost and portable EPR instrumentation are discussed, along with their implications for broader adoption in both research and industry settings. The aim is to provide an up-to-date literature survey on the application of EPR spectroscopy for studying the oxidative stability and antioxidant activity of beer, wine, and edible oils, providing a methodological tool for academic and food industry researchers interested in monitoring, improving, and extending food shelf life through reliable analytical tools. Full article
(This article belongs to the Special Issue Applications of EPR Spectroscopy in Various Fields of Scientific Research)
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26 pages, 2328 KB  
Review
The g-Strained EPR Line Shape of Transition-Ion Complexes and Metalloproteins: Four Decades of Misunderstanding and Its Consequences
by Wilfred R. Hagen
Molecules 2025, 30(15), 3299; https://doi.org/10.3390/molecules30153299 - 6 Aug 2025
Cited by 2 | Viewed by 2051
Abstract
Analysis of the EPR of dilute transition-ion complexes and metalloproteins in random phases, such as frozen solutions, powders, glasses, and gels, requires a model for the spectral ‘powder’ shape. Such a model comprises a description of the line shape and the linewidth of [...] Read more.
Analysis of the EPR of dilute transition-ion complexes and metalloproteins in random phases, such as frozen solutions, powders, glasses, and gels, requires a model for the spectral ‘powder’ shape. Such a model comprises a description of the line shape and the linewidth of individual molecules as well as a notion of their physical origin. Spectral features sharpen up with decreasing temperature until the limit of constant linewidth of inhomogeneous broadening. At and below this temperature limit, each molecule has a linewidth that slightly differs from those of its congeners, and which is not related in a simple way to lifetime broadening. Choice of the model not only affects precise assignment of g-values, but also concentration determination (‘spin counting’), and therefore, calculation of stoichiometries in multi-center complexes. Forty years ago, the theoretically and experimentally well-founded statistical theory of g-strain was developed as a prime model for EPR powder patterns. In the intervening years until today, this model was universally ignored in favor of models that are incompatible with physical reality, resulting in many mistakes in EPR spectral interpretation. The purpose of this review is to outline the differences between the models, to reveal where analyses went astray, and thus to turn a very long standstill in EPR powder shape understanding into a new start towards proper methodology. Full article
(This article belongs to the Special Issue Applications of EPR Spectroscopy in Various Fields of Scientific Research)
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