Applied Magnetic Resonance最新文献_第2页

A Comparable Study on the EPR g Factors and the Local Structures of the Substitutional and Interstitial Mo5+ Centers in Rutile

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-11-14 DOI: 10.1007/s00723-024-01727-y

Fu Chen, Zifa Zhou

{"title":"A Comparable Study on the EPR g Factors and the Local Structures of the Substitutional and Interstitial Mo5+ Centers in Rutile","authors":"Fu Chen, Zifa Zhou","doi":"10.1007/s00723-024-01727-y","DOIUrl":"10.1007/s00723-024-01727-y","url":null,"abstract":"<div>The electron paramagnetic resonance (EPR) g factors and the local structures of Mo5+ centers on the substitutional and interstitial sites in rutile are theoretically studied from the perturbation formulas of these parameters for a 3d1 ion in rhombically compressed and elongated octahedra, respectively. In the calculation formulas, the crystal field parameters are determined from the superposition model, and the contributions from the spin–orbit coupling (SOC) of the ligands are taken into account. Based on the calculations, the ligand octahedron in the substitutional Mo5+ center may suffer a larger axial compression with the parallel and perpendicular impurity—ligand length bonds R′||s ≈ 1.932 and R′⊥s ≈ 1.975 Å) than the bond lengths R||s ≈ 1.99 and R⊥s ≈ 1.94 Å in the host and the much smaller perpendicular distortion (i.e., θs′ ≈ 87.32º) than that θs ≈ 81.21º) in the host related to the ideal angle θ0 ≈ 90º in a regular octahedron due to the Jahn–Teller (JT) effect. For the interstitial Mo5+ center, the ligand octahedron exhibits the axial elongation (i.e., R′||i ≈ 2.155 and R′⊥i ≈ 1.987 Å) rather than a compressed octahedra with R||i ≈ 1.67 and R⊥i ≈ 2.23 Å in the host and a smaller rhombic distortion (θi′ ≈ 95.2º) than that θi ≈ 97º in the host related to θ0 due to the JT effect. The reasonableness of these results are discussed.</div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"56 1-2","pages":"253 - 264"},"PeriodicalIF":1.1,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143108651","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}

引用次数: 0

Synthesis and Structure Identification of 1-[4-(4-pentylcyclohexyl)-phenyl]-3-(quinolin-8-ylamino)prop-2-en-1-one Molecules in Solvents of Different Polarities

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-11-09 DOI: 10.1007/s00723-024-01726-z

M. Yu. Volkov, A. R. Sharipova, O. A. Turanova

引用次数: 0

New Approach to the Formation of a Bose–Einstein Condensate

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-11-08 DOI: 10.1007/s00723-024-01723-2

K. M. Salikhov

{"title":"New Approach to the Formation of a Bose–Einstein Condensate","authors":"K. M. Salikhov","doi":"10.1007/s00723-024-01723-2","DOIUrl":"10.1007/s00723-024-01723-2","url":null,"abstract":"<div>The observation of the exchange narrowing effect is a routine event in EPR spectroscopy. In this paper, I want to draw attention to the fact that every time we observe an exchange narrowing of the EPR spectrum, we have a gas of identical bosons, where the prerequisites of BEC formation are satisfied at room temperature. Imagine the possibility to create BEC without the need to cooling down to nano Kelvin temperatures to get a gas of identical bosons because the phenomenon of exchange narrowing of the EPR spectrum can be easily observed at room temperatures. This article provides a detailed explanation of how a gas of identical bosons can be formed at room temperature in dilute solutions of paramagnetic particles with a discrete EPR spectrum of individual particles. There are still many questions about the Bose–Einstein condensation of a spin polariton gas, which is created under conditions of exchange narrowing of EPR spectra. With the expectation of obtaining additional information about the condensation of bosons in the situation under consideration, this article proposes the protocol of one EPR experiment to prove that the effect of exchange narrowing of EPR spectra can be instrumental in creating BEC in dilute solutions at room temperature.</div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"56 1-2","pages":"213 - 228"},"PeriodicalIF":1.1,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143108369","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}

引用次数: 0

Correction: Magnetic-Field Dependence of LC-Photo-CIDNP in the Presence of Target Molecules Carrying a Quasi-Isolated Spin Pair

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-10-30 DOI: 10.1007/s00723-024-01724-1

Siyu Li, Hanming Yang, Heike Hofstetter, Marco Tonelli, Silvia Cavagnero

引用次数: 0

Challenges of Continuous Wave EPR of Broad Signals—The Ferritin Case 宽信号连续波 EPR 的挑战--铁蛋白案例

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-10-26 DOI: 10.1007/s00723-024-01719-y

Fabio Seiji Otsuka, Maria Concepción García Otaduy, Otaciro Rangel Nascimento, Carlos Ernesto Garrido Salmon, Martina Huber

{"title":"Challenges of Continuous Wave EPR of Broad Signals—The Ferritin Case","authors":"Fabio Seiji Otsuka, Maria Concepción García Otaduy, Otaciro Rangel Nascimento, Carlos Ernesto Garrido Salmon, Martina Huber","doi":"10.1007/s00723-024-01719-y","DOIUrl":"10.1007/s00723-024-01719-y","url":null,"abstract":"<div>The study of continuous wave (cw) electron paramagnetic resonance (EPR) spectra still poses a challenge for very broad signals, especially when the spectrum extends over a large part of the accessible field range. The difficulties derive from instrumental challenges, because of insufficient modulation depth and the need to apply measurement conditions that enhance cavity background. The biggest problem, however, is how to define a baseline such that spectral distortions are minimized. Conventional methods rely on a suitable choice of points outside the range of the signal of interest to perform a polynomial interpolation. These methods are effective in most cases where the signal of interest comprises only a narrow range of magnetic field (narrow features). In this study, a novel method of baseline correction for broad signals is proposed and compared to conventional methods. It takes into account that there are only few anchor points for the baseline. The method is applied to the signal of the iron-storage protein ferritin. The ferritin signal is a broad band that extends from zero to 0.8 T. An approach is developed by which this broad signal is analyzed reliably. The method is also extended to the case where the broad signal is superimposed on narrow signals and enables to extract the parameters of both types of signals in a fitting pipeline.</div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 12","pages":"1605 - 1620"},"PeriodicalIF":1.1,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00723-024-01719-y.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142679583","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}

引用次数: 0

What is Multi-extreme THz ESR? Developments and its Applications

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-10-25 DOI: 10.1007/s00723-024-01722-3

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>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 Y2BaNi0.96Mg0.04O5 and the deformed diamond chain antiferromagnet Cu3(CO3)2(OH)2 (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(C4H4N2)(NO3)2 (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 KCuCl3 using a transmission-type double-layered pressure cell are shown, along with the application of the thermally detected high-pressure THz ESR.</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}

引用次数: 0

Temperature-Dependent Rotation of Protonated Methyl Groups in Otherwise Deuterated Proteins Modulates DEER Distance Distributions

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-10-03 DOI: 10.1007/s00723-024-01720-5

Thomas Schmidt, Valentyn Stadnytskyi

{"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>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 Tm 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 Tm, manifested by differential decay of the peak intensities in the bimodal P(r) 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 Tm filtering will capture the DEER structural analysis of biomolecular systems heterogenic conformations, including complexes involving multimeric proteins.</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}

引用次数: 0

Deep-Learning Segmentation of Bleomycin-Induced Pulmonary Fibrosis in Rats Using U-Net 3 + by 3D UTE-MRI 利用 U-Net 3 + 3D UTE-MRI 对博莱霉素诱导的大鼠肺纤维化进行深度学习分割

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-09-28 DOI: 10.1007/s00723-024-01721-4

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>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 (DSC) = 0.93 ± 0.05 and Intersection over Union (IoU) = 0.83 ± 0.19 for the lungs, and DSC = 0.72 ± 0.19, IoU = 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.</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}

引用次数: 0

Influence of Ge concentration on magnetic properties of (hbox {Co}_{(1-x)} hbox {Ge}_{x}) thin films Ge 浓度对 (hbox {Co}_{(1-x)}hbox {Ge}_{x}) 薄膜磁性能的影响

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-09-21 DOI: 10.1007/s00723-024-01717-0

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>Cobalt-rich (hbox {Co}_{(1-x)} hbox {Ge}_{x}) alloy thin films with various Ge concentrations (up to ({x} = 0.09)) 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 (hbox {Co}_{(1-x)} hbox {Ge}_{x}) alloys can be precisely adjusted by varying the Ge content. Both the g-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.</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}

引用次数: 0

A Method for Analyzing Data from 1- and 2-Dimensional Relaxation and Diffusion NMR Experiments by Determination of their Expectation Values and Standard Deviations 通过确定期望值和标准偏差分析一维和二维弛豫与扩散 NMR 实验数据的方法

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2024-09-20 DOI: 10.1007/s00723-024-01718-z

Geir Humborstad Sørland, Henrik Walbye Anthonsen, Sebastien Simon

引用次数: 0