H. Ohta, S. Okubo, E. Ohmichi, H. Takahashi, T. Sakurai
{"title":"What is Multi-extreme THz ESR? Developments and its Applications","authors":"H. Ohta, S. Okubo, E. Ohmichi, H. Takahashi, T. Sakurai","doi":"10.1007/s00723-024-01722-3","DOIUrl":"10.1007/s00723-024-01722-3","url":null,"abstract":"<div><p>This review explores the multi-extreme THz ESR system in Kobe, Japan, with a focus on pulsed magnetic fields, mechanical detection, and high pressure as central elements of multi-extreme THz ESR. Initially, it discusses the advantages of multi-frequency THz ESR using mini-pulsed and 55 T‒pulsed magnetic fields, with typical examples featuring the finite Haldane chain substance Y<sub>2</sub>BaNi<sub>0.96</sub>Mg<sub>0.04</sub>O<sub>5</sub> and the deformed diamond chain antiferromagnet Cu<sub>3</sub>(CO<sub>3</sub>)<sub>2</sub>(OH)<sub>2</sub> (Azurite). The measurement efficiency and the measurement beyond the magnetic phase transition, in contrast to the conventional superconducting magnet, are discussed. Second, the high sensitivity obtained from the use of a nano-membrane for mechanical detection is shown. Also shown are the high-temperature (280 K) THz ESR results for DPPH powder and a Cu(C<sub>4</sub>H<sub>4</sub>N<sub>2</sub>)(NO<sub>3</sub>)<sub>2</sub> (CuPzN) single crystal, with the combination of a nano-membrane device and a high-power source, a gyrotron. Finally, the high-pressure THz ESR results for KCuCl<sub>3</sub> using a transmission-type double-layered pressure cell are shown, along with the application of the thermally detected high-pressure THz ESR.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"56 1-2","pages":"33 - 55"},"PeriodicalIF":1.1,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00723-024-01722-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143109272","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Temperature-Dependent Rotation of Protonated Methyl Groups in Otherwise Deuterated Proteins Modulates DEER Distance Distributions","authors":"Thomas Schmidt, Valentyn Stadnytskyi","doi":"10.1007/s00723-024-01720-5","DOIUrl":"10.1007/s00723-024-01720-5","url":null,"abstract":"<div><p>Temperature-dependent DEER effects are observed as a function of methyl rotation by either leucine- or nitroxide-specific protonated methyl groups in an otherwise deuterated background. Both species induce a site-specific enhancement in the apparent <i>T</i><sub>m</sub> relaxation of the paramagnetic nitroxide label. The presence of a single protonated methyl group in close proximity (4–10 Å) to only one of the two nitroxide rotamer ensembles in AviTagged immunoglobulin-binding B domain of protein A results in a selective and substantial decrease in <i>T</i><sub>m</sub>, manifested by differential decay of the peak intensities in the bimodal <i>P(r)</i> distance distribution as a function of the total dipolar evolution time, temperature, or both. The temperature-dependent differential decay of the individual distance components was globally analyzed by fitting the DEER dipolar time traces to a three-site jump model that is defined by the activation energy of leucine- or nitroxide-specific methyl rotation. Temperature-assisted T<sub>m</sub> filtering will capture the DEER structural analysis of biomolecular systems heterogenic conformations, including complexes involving multimeric proteins.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"56 1-2","pages":"91 - 102"},"PeriodicalIF":1.1,"publicationDate":"2024-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11775055/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143062960","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
T. V. Taran, O. S. Pavlova, M. V. Gulyaev, E. V. Ivanov, Y. A. Pirogov
{"title":"Deep-Learning Segmentation of Bleomycin-Induced Pulmonary Fibrosis in Rats Using U-Net 3 + by 3D UTE-MRI","authors":"T. V. Taran, O. S. Pavlova, M. V. Gulyaev, E. V. Ivanov, Y. A. Pirogov","doi":"10.1007/s00723-024-01721-4","DOIUrl":"10.1007/s00723-024-01721-4","url":null,"abstract":"<div><p>This study utilized the U-Net 3 + neural network to develop an algorithm for automatic lung segmentation in laboratory rats, identifying corresponding pathologies, particularly pulmonary fibrosis induced by intratracheal administration of bleomycin. MR images of rat lungs were obtained in 30 days after initialization of the fibrosis at 7 T using ultra-short echo time (UTE) pulse sequence. Initially, lung and pathology masks were highlighted manually, and then they were subsequently used to train the neural network. The proposed algorithm operates step by step, firstly segmenting the lungs and then detecting pathologies within them. The metric results demonstrate a good agreement between manual and automatic segmentation, with Dice Similarity Coefficient (<i>DSC</i>) = 0.93 ± 0.05 and Intersection over Union (<i>IoU</i>) = 0.83 ± 0.19 for the lungs, and <i>DSC</i> = 0.72 ± 0.19, <i>IoU</i> = 0.54 ± 0.22 for pulmonary fibrosis. The authors noted high accuracy in lung segmentation and the ability to effectively differentiate lung pathologies from surrounding normal tissues with minor inaccuracies in the shape and size of pathologies.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 11","pages":"1455 - 1465"},"PeriodicalIF":1.1,"publicationDate":"2024-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142447293","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M. Tokaç, H. Pişkin, B. Özkal, K. Yıldız Aktaş, B. Kocaman, L. Çolakerol Arslan, B. Rameev, S. Kazan
{"title":"Influence of Ge concentration on magnetic properties of (hbox {Co}_{(1-x)} hbox {Ge}_{x}) thin films","authors":"M. Tokaç, H. Pişkin, B. Özkal, K. Yıldız Aktaş, B. Kocaman, L. Çolakerol Arslan, B. Rameev, S. Kazan","doi":"10.1007/s00723-024-01717-0","DOIUrl":"10.1007/s00723-024-01717-0","url":null,"abstract":"<div><p>Cobalt-rich <span>(hbox {Co}_{(1-x)} hbox {Ge}_{x})</span> alloy thin films with various Ge concentrations (up to <span>({x} = 0.09)</span>) have been investigated by vibrating sample magnetometry and ferromagnetic resonance techniques to understand the influence of Ge doping on magnetostatic and magnetodynamic properties. Room-temperature magnetization curves have shown that the addition of Ge atoms can reduce the saturation magnetization in a fast manner. Utilizing a conventional ferromagnetic resonance setup, the out-of-plane angular dependencies of the resonance spectra have been measured and data have been analyzed using a computer program to simulate the magnetic behavior of the thin-film alloys. The experimental findings demonstrate that the magnetic properties of <span>(hbox {Co}_{(1-x)} hbox {Ge}_{x})</span> alloys can be precisely adjusted by varying the Ge content. Both the <i>g</i>-factor and the Gilbert-damping parameter show correlated changes, highlighting the tunability of these magnetic characteristics. This ability to modify saturation magnetization and damping parameters by altering the Ge concentration enables the optimization and customization of the alloy for specific applications in spintronic devices.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 11","pages":"1421 - 1435"},"PeriodicalIF":1.1,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142447346","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Geir Humborstad Sørland, Henrik Walbye Anthonsen, Sebastien Simon
{"title":"A Method for Analyzing Data from 1- and 2-Dimensional Relaxation and Diffusion NMR Experiments by Determination of their Expectation Values and Standard Deviations","authors":"Geir Humborstad Sørland, Henrik Walbye Anthonsen, Sebastien Simon","doi":"10.1007/s00723-024-01718-z","DOIUrl":"10.1007/s00723-024-01718-z","url":null,"abstract":"<div><p>A method for analyzing ill-posed multi-exponentially decaying data from 1- and 2-Dimensional experiments by Determination of the Expectation Values and their Standard Deviation has been developed. It combines a repeated use of the discrete Anahess approach for analyzing the dynamic data where a regrouping of the noise in the data is performed for each repetition. These resulting expectation values are used as initial and restricting values to produce a distribution using the Inverse Laplace transform, where position and volume of the distribution can then be reported with expectation value and standard deviation. The method is verified on synthetic data and tested on real data in both one and two dimensions.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 11","pages":"1437 - 1453"},"PeriodicalIF":1.1,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00723-024-01718-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142447330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hina Kobayashi, Michio M. Matsushita, Ken Kato, Masazumi Fujiwara, Yoshio Teki
{"title":"Photocurrent EDMR Measurement and Carrier Behavior of TIPS-Pentacene Under FET Device Operation","authors":"Hina Kobayashi, Michio M. Matsushita, Ken Kato, Masazumi Fujiwara, Yoshio Teki","doi":"10.1007/s00723-024-01715-2","DOIUrl":"10.1007/s00723-024-01715-2","url":null,"abstract":"<div><p>The carrier dynamics of the organic semiconductor materials plays very important role in the device applications, because it is strongly related to the device performance. We report the electrically detected magnetic resonance (EDMR) study of a drop-casted film of 6,13–bis((triisopropylsilyl)ethynyl)pentacene (TIPS-Pn) under the field-effect transistor (FET) device operating condition. The EDMR signal could not be observed without light-irradiation even under the FET device operating condition (carrier injected condition). This means that the electrically injected carries (e–h pair) do not have spin polarization and notable spin-selective pathway after the charge injection. Under the light irradiation, the EDMR signals were detected in the FET device both with and without the <i>V</i><sub>GS</sub> (gate-source voltage applied to the FET device) and the intensity depended on the <i>V</i><sub>GS</sub>. When 0 > <i>V</i><sub>GS</sub> > <i>V</i><sub>TH</sub>, which is near the threshold voltage of the carrier injection, the signal intensity increased with increasing |<i>V</i><sub>GS</sub>| but in the region <i>V</i><sub>GS</sub> < <i>V</i><sub>TH</sub> (|<i>V</i><sub>GS</sub>| >|<i>V</i><sub>TH</sub>|), the EDMR intensity decreased. This phenomenon has been reproduced by solving the rate equations assuming the re-combination between the photo generated electron (pe) and the injected hole (h), which is strong related to the device structures.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"56 1-2","pages":"195 - 211"},"PeriodicalIF":1.1,"publicationDate":"2024-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142256558","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Klaus Möbius, Anton Savitsky, Martin Plato, Wolfgang Lubitz
{"title":"Nitroxide Spin Labels for Exploring Relationships Between Molecular Structure, Microenvironment and EPR Parameters: A Mini-review Dedicated to Carlo Corvaja","authors":"Klaus Möbius, Anton Savitsky, Martin Plato, Wolfgang Lubitz","doi":"10.1007/s00723-024-01713-4","DOIUrl":"10.1007/s00723-024-01713-4","url":null,"abstract":"<div><p>This mini-review is dedicated to Carlo Corvaja (University of Padova) in recognition of his important contributions to the study of biomimetic donor–acceptor model dyads and triads and to the understanding of spin exchange in excited fullerene–nitroxide derivatives. We report on attractive examples of multi-frequency and multi-resonance EPR spectroscopy, highlighting recent work in Padova and Berlin/Mülheim. The examples selected include TR-EPR, ENDOR, and EDNMR experiments on photoexcited spin-labeled macromolecules, such as fullerene–nitroxide complexes or photosynthetic bacterial reaction centers, which were optionally NO spin-labeled. From the spin interaction parameters measured, detailed information about structure and dynamics of macromolecules embedded in liquid-solution or solid-state microenvironments could be extracted.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 12","pages":"1481 - 1514"},"PeriodicalIF":1.1,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00723-024-01713-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142256559","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ilya K. Mikhailov, Zufar N. Gafurov, Alexey A. Kagilev, Il’yas F. Sakhapov, Vladimir I. Morozov, Gumar R. Ganeev, Khasan R. Khayarov, Vasilisa A. Kulikova, Vladislava A. Kirkina, Evgenii I. Gutsul, Elena S. Shubina, Natalia V. Belkova, Oleg G. Sinyashin, Dmitry G. Yakhvarov
{"title":"Electrocatalytic Radical Degradation of 2-Aminoethanol by Nickel, Palladium and Platinum Complexes Bearing Non-Innocent Diarylamido/bis(Phosphine) Pincer Ligand","authors":"Ilya K. Mikhailov, Zufar N. Gafurov, Alexey A. Kagilev, Il’yas F. Sakhapov, Vladimir I. Morozov, Gumar R. Ganeev, Khasan R. Khayarov, Vasilisa A. Kulikova, Vladislava A. Kirkina, Evgenii I. Gutsul, Elena S. Shubina, Natalia V. Belkova, Oleg G. Sinyashin, Dmitry G. Yakhvarov","doi":"10.1007/s00723-024-01710-7","DOIUrl":"10.1007/s00723-024-01710-7","url":null,"abstract":"<div><p>The electrocatalytic activity of PNP pincer complexes with general formula (PNP)MCl (PNP is bis(2-diisopropylphosphino-4-methylphenyl)amide; M = nickel, palladium and platinum) in the oxidative 2-aminoethanol (MEA, a recalcitrant pollutant) degradation process was studied using cyclic voltammetry method. Complexes fulfil the requirements typically expected of a redox mediator or catalyst. Their electrochemical oxidation yields the aminyl radical species which unpaired electron is localized on the ligand. The mechanism of interaction of these aminyl radical complexes with MEA was studied using ESR- and NMR-spectroscopy methods. The addition of MEA to the solution of model platinum derivative leads to the disappearance of the ESR signal responsible for the aminyl radical complex, whereas the <sup>31</sup>P{<sup>1</sup>H} NMR spectrum revealed the regeneration of neutral (PNP)MCl. Palladium derivative was found to be the most effective catalyst of the series with an I<sub>cat</sub>/I<sub>p</sub> value of 6.7. Controlled potential electrolysis has allowed us to identify the main products of the catalytic process and to propose the mechanism of the overall process.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 10","pages":"1323 - 1333"},"PeriodicalIF":1.1,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142204654","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Magnetic Resonance Methods in Catalysis","authors":"Oleg N. Martyanov, Daniil I. Kolokolov","doi":"10.1007/s00723-024-01712-5","DOIUrl":"10.1007/s00723-024-01712-5","url":null,"abstract":"","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 10","pages":"1241 - 1243"},"PeriodicalIF":1.1,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142411538","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sandra S. Eaton, Debbie G. Mitchell, Gareth R. Eaton
{"title":"Electron-Spin Relaxation of S3− in Ultramarine Blue and Lapis Lazuli","authors":"Sandra S. Eaton, Debbie G. Mitchell, Gareth R. Eaton","doi":"10.1007/s00723-024-01716-1","DOIUrl":"10.1007/s00723-024-01716-1","url":null,"abstract":"<div><p>The blue color that has made lazurite (lapis lazuli) a prized mineral is due to the same S<sub>3</sub><sup>−</sup> radical that is in synthetic ultramarine blue (UMB), which has been proposed as a CW EPR standard. Continuous wave and pulsed EPR spectra and relaxation times of S<sub>3</sub><sup>−</sup> are compared for three commercial sources of synthetic UMB, for samples of lapis lazuli from Afghanistan, Chile, Colorado USA, and Pakistan, and a solution in DMSO:dioxane. The spin concentrations in the UMB samples were high, in the range of 3 × 10<sup>20</sup> to 5 × 10<sup>20</sup> spins/g. The field-swept echo-detected spectra of UMB samples have lineshapes at 4.2 K that depend on the field at which phase adjustment is performed, indicating strong spin–spin interaction. The spectra of the minerals included large spectral contributions from Mn<sup>2+</sup>, in addition to S<sub>3</sub><sup>−</sup> for which the concentrations were 6 × 10<sup>18</sup> to 2.9 × 10<sup>19</sup> spins/g. Features in the spin-echo-detected spectra attributed to forbidden Mn<sup>2+</sup> transitions were confirmed by comparison with Mn<sup>2+</sup> spectra in CaO powder. Large distributions in relaxation times caused derived results to depend strongly on the experimental acquisition windows for echo decay and inversion-recovery curves. Short-phase memory times are attributed to spin–spin interactions and to motion of the S<sub>3</sub><sup>−</sup> in the lattices. Relatively weak temperature dependence of spin lattice relaxation rates below or around 25 K is attributed to substantial spin–spin interaction and cross relaxation. The strong spin–spin interaction is not present for 0.4 mM S<sub>3</sub><sup>−</sup> in DMSO:dioxane. The shorter <i>T</i><sub>1</sub> for S<sub>3</sub><sup>−</sup> than for SO<sub>2</sub><sup>−</sup> or SO<sub>3</sub><sup>−</sup> is attributed to stronger spin–orbit coupling.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"56 1-2","pages":"73 - 90"},"PeriodicalIF":1.1,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142226176","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}