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Advanced Magnetic Resonance Methods in Materials Chemistry Analysis
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Advanced Magnetic Resonance Methods in Materials Chemistry Analysis

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

Deadline for manuscript submissions: 31 January 2025 | Viewed by 1441

Special Issue Editor

Prof. Dr. Igor Serša

E-Mail Website
Guest Editor
Jozef Stefan Institute, Ljubljana, Slovenia
Interests: magnetic resonance microscopy; current density imaging; thrombolysis; porous materials
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Magnetic resonance techniques such as nuclear magnetic resonance (NMR), magnetic resonance imaging (MRI) and electron spin resonance (ESR) play an important role in chemical analysis, as they are distinguished by their high specificity, good sensitivity and absence of adverse effects on sample. Although they originated several decades ago, they are still develo** rapidly with method innovations and continuous hardware development, enabling a wide range of applications in various scientific fields, including materials science. State-of-the-art scientific articles on magnetic resonce analysis of various types of materials define the interdisciplinary nature of the research field and its potential applications. Often, these papers are published in specialized journals which turns out cumbersome for the treaders and makes it harder to grasp the subjective goals of the manuscript and related field overview. Therefore, such publications acquire only partial attention, and that too from the limited scientific community. For genuine readers, this Special Issue will present an attractive opportunity to sequentially and more easily obtain information concerning the recent advances of magentic resonance methods in materials chemistry analysis. For the authors, it will be an appropriate choice to publicize their results and classify themselves as active members of the scientific community. This Special Issue shall broadly contain original scientific contributions, focusing primarily on the theoretical and experimental areas of magnetic resonance applications in the analysis of materials chemistry, as indicated by the keywords. Review articles by experts in the field shall also be warmly appreciated.

Prof. Dr. Igor Serša
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at mdpi.longhoe.net 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 100 words) can be sent to the Editorial Office for announcement on this website.

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

  • molecular dynamics and transport phenomena in polymers
  • hardening reactions in materials
  • magentic resonance in analysis of pharmaceutical products
  • chemistry of wood and its products
  • thermal and other types of processing of foods
  • electrochemistry and transport phenomena in batteries

Published Papers (2 papers)

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Research

17 pages, 6765 KiB  
Article
Exploring High-Spin Color Centers in Wide Band Gap Semiconductors SiC: A Comprehensive Magnetic Resonance Investigation (EPR and ENDOR Analysis)
by Larisa Latypova, Fadis Murzakhanov, George Mamin, Margarita Sadovnikova, Hans Jurgen von Bardeleben, Julietta V. Rau and Marat Gafurov
Molecules 2024, 29(13), 3033; https://doi.org/10.3390/molecules29133033 - 26 Jun 2024
Viewed by 445
Abstract
High-spin defects (color centers) in wide-gap semiconductors are considered as a basis for the implementation of quantum technologies due to the unique combination of their spin, optical, charge, and coherent properties. A silicon carbide (SiC) crystal can act as a matrix for a [...] Read more.
High-spin defects (color centers) in wide-gap semiconductors are considered as a basis for the implementation of quantum technologies due to the unique combination of their spin, optical, charge, and coherent properties. A silicon carbide (SiC) crystal can act as a matrix for a wide variety of optically active vacancy-type defects, which manifest themselves as single-photon sources or spin qubits. Among the defects, the nitrogen-vacancy centers (NV) are of particular importance. This paper is devoted to the application of the photoinduced electron paramagnetic resonance (EPR) and electron–nuclear double resonance (ENDOR) techniques at a high-frequency range (94 GHz) to obtain unique information about the nature and properties of NV defects in SiC crystal of the hexagonal 4H and 6H polytypes. Selective excitation by microwave and radio frequency pulses makes it possible to determine the microscopic structure of the color center, the zero-field splitting constant (D = 1.2–1.3 GHz), the phase coherence time (T2), and the values of hyperfine (≈1.1 MHz) and quadrupole (Cq ≈ 2.45 MHz) interactions and to define the isotropic (a = −1.2 MHz) and anisotropic (b = 10–20 kHz) contributions of the electron–nuclear interaction. The obtained data are essential for the implementation of the NV defects in SiC as quantum registers, enabling the optical initialization of the electron spin to establish spin–photon interfaces. Moreover, the combination of optical, microwave, and radio frequency resonant effects on spin centers within a SiC crystal shows the potential for employing pulse EPR and ENDOR sequences to implement protocols for quantum computing algorithms and gates. Full article
(This article belongs to the Special Issue Advanced Magnetic Resonance Methods in Materials Chemistry Analysis)
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15 pages, 5074 KiB  
Article
Chemical Composition of Fat Bloom on Chocolate Products Determined by Combining NMR and HPLC–MS
by Lena Trapp, Niels Karschin, Markus Godejohann, Hilke Schacht, Hermann Nirschl and Gisela Guthausen
Molecules 2024, 29(13), 3024; https://doi.org/10.3390/molecules29133024 - 26 Jun 2024
Viewed by 478
Abstract
To reduce unwanted fat bloom in the manufacturing and storage of chocolates, detailed knowledge of the chemical composition and molecular mobility of the oils and fats contained is required. Although the formation of fat bloom on chocolate products has been studied for many [...] Read more.
To reduce unwanted fat bloom in the manufacturing and storage of chocolates, detailed knowledge of the chemical composition and molecular mobility of the oils and fats contained is required. Although the formation of fat bloom on chocolate products has been studied for many decades with regard to its prevention and reduction, questions on the molecular level still remain to be answered. Chocolate products with nut-based fillings are especially prone to undesirable fat bloom. The chemical composition of fat bloom is thought to be dominated by the triacylglycerides of the chocolate matrix, which migrate to the chocolate’s surface and recrystallize there. Migration of oils from the fillings into the chocolate as driving force for fat bloom formation is an additional factor in the discussion. In this work, the migration was studied and confirmed by MRI, while the chemical composition of the fat bloom was measured by NMR spectroscopy and HPLC–MS, revealing the most important triacylglycerides in the fat bloom. The combination of HPLC–MS with NMR spectroscopy at 800 MHz allows for detailed chemical structure determination. A rapid routine was developed combining the two modalities, which was then applied to investigate the aging, the impact of chocolate composition, and the influence of hazelnut fillings processing parameters, such as the degree of roasting and grinding of the nuts or the mixing time, on fat bloom formation. Full article
(This article belongs to the Special Issue Advanced Magnetic Resonance Methods in Materials Chemistry Analysis)
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