Applied Magnetic Resonance最新文献_第5页

NMR Relaxation and Diffusion Study of Local Dynamics and Transport of Water in Moistened Wheat Grains Subjected to Natural, Thermal, and Sorption Drying 自然干燥、热干燥和吸附干燥条件下润湿小麦籽粒局部动力学和水分运输的核磁共振弛豫和扩散研究

IF 1.3 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2026-06-29 DOI: 10.1007/s00723-026-01855-7

Timur Yu. Ivanenko, Evgeny V. Morozov, Elena V. Fomenko, Aleksander N. Matsulev, Galina V. Akimochkina, Vasiliy F. Shabanov

{"title":"NMR Relaxation and Diffusion Study of Local Dynamics and Transport of Water in Moistened Wheat Grains Subjected to Natural, Thermal, and Sorption Drying","authors":"Timur Yu. Ivanenko, Evgeny V. Morozov, Elena V. Fomenko, Aleksander N. Matsulev, Galina V. Akimochkina, Vasiliy F. Shabanov","doi":"10.1007/s00723-026-01855-7","DOIUrl":"10.1007/s00723-026-01855-7","url":null,"abstract":"<div><p>Importance of wheat in global food industry and agriculture hardly can be overestimated, so the yield and quality of wheat grains are the focus of agricultural research. The moisture content (MC) greatly affects wheat in the post-harvest period and determines grains longevity, storage capacity, and germination ability. Hence, the impact of drying on the quality of the final product must be thoroughly evaluated. This study investigates the effect of different drying technologies on the state of water in wheat grains using NMR relaxation and diffusion measurements. For this aim the wheat samples were subjected to natural, thermal, and sorption drying and then the relaxation time T<sub>2</sub> and self-diffusion coefficients were measured against MC. NMR relaxation data revealed the presence of several dynamic states of water determined by degrees of binding with the local molecular environment. PFG NMR showed that water molecules undergo both hindered diffusion in open pores and restricted diffusion within spatial constraints (~ 150–200 nm), formed by lamellae in starch granules. During gradual increase of MC from 12 to 20%, grains keep the balance of water between different dynamic states, simultaneously thickening the hydration shell of carbohydrates, filling the interlamellar space inside starch granules and macroporous space between them. Falling outside this range either due to excessive drying or moistening breaks the equilibrium and leads to dramatic loss of bound water or extra filling of interlamellar space, respectively. These results demonstrate the advantages of complementary NMR methods combined for extracting valuable information about the water state and dynamics in wheat grains.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"57 6-7","pages":""},"PeriodicalIF":1.3,"publicationDate":"2026-06-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148380681","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

Contributions to Nuclear Spin-Lattice Relaxation in GaAs Semi-insulator Crystals GaAs半绝缘体晶体中核自旋晶格弛豫的研究

IF 1.3 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2026-06-29 DOI: 10.1007/s00723-026-01848-6

A. M. Rochev, V. M. Mikushev, E. V. Charnaya

{"title":"Contributions to Nuclear Spin-Lattice Relaxation in GaAs Semi-insulator Crystals","authors":"A. M. Rochev, V. M. Mikushev, E. V. Charnaya","doi":"10.1007/s00723-026-01848-6","DOIUrl":"10.1007/s00723-026-01848-6","url":null,"abstract":"<div><p>The recovery of nuclear magnetization after inversion was observed for the <sup>69</sup>Ga, <sup>71</sup>Ga, and <sup>75</sup>As isotopes in chromium- and copper-doped semi-insulator GaAs crystals under continuous magnetic saturation of their spin-systems in comparison to the data for the undoped crystal. Different channels of nuclear spin-lattice relaxation were separated within a temperature range from 50 to 300 K. The contribution to relaxation due to modulation of the crystalline electric field gradients on nuclei by thermal phonons, which is inherent for quadrupole nuclei, was found for all the crystals. However, it was comparable to the contribution to relaxation caused by paramagnetic centers and spin diffusion. Relaxation driven by electron centers was shown to be of the quadrupole nature for gallium isotopes, while the magnetic superhyperfine coupling became noticeable for <sup>75</sup>As nuclei below 100 K. Doping GaAs with copper and chromium did not affect the rate of spin-lattice relaxation of the gallium and arsenic isotopes within the experimental accuracy. It was suggested that the EL2 centers play the major role in spin-lattice relaxation of the <sup>69</sup> Ga, <sup>71</sup> Ga and <sup>75</sup>As nuclei via electron centers and spin diffusion.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"57 6-7","pages":""},"PeriodicalIF":1.3,"publicationDate":"2026-06-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148380872","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

EPR-Guided Assignment of (text{NO}_2) and (text{CO}_2) Adsorption Motifs on MgO(100) from Embedded-Cluster DFT 嵌入簇DFT中MgO（100）上(text{NO}_2)和(text{CO}_2)吸附基序的epr引导分配

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2026-05-31 DOI: 10.1007/s00723-026-01842-y

Özgecan Tiryaki, Fatih Ucun

{"title":"EPR-Guided Assignment of (text{NO}_2) and (text{CO}_2) Adsorption Motifs on MgO(100) from Embedded-Cluster DFT","authors":"Özgecan Tiryaki, Fatih Ucun","doi":"10.1007/s00723-026-01842-y","DOIUrl":"10.1007/s00723-026-01842-y","url":null,"abstract":"<div><p>Electron paramagnetic resonance (EPR) remains one of the most direct probes for assigning adsorbate-derived radical states on ionic-oxide surfaces, yet the connection between measured magnetic parameters and local adsorption motifs on MgO(100) is often not unique. In this work, we use an embedded-cluster density functional framework to assess <span>(text{NO}_2)</span>- and <span>(text{CO}_2)</span>-derived paramagnetic motifs on MgO(100) by directly comparing calculated <i>g</i> tensors, hyperfine tensors, and powder-spectrum simulations with benchmark experimental spectra. For <span>(text{NO}_2)</span>, a weakly bound terrace <span>(text{O}^{2-})</span> motif reproduces the experimental EPR response most closely, whereas vacancy-bound structures show stronger binding but substantial spin redistribution and a clearly less consistent magnetic signature. For <span>(text{CO}_2)</span>, electron transfer at regular <span>(text{O}^{2-})</span> sites does not by itself guarantee an EPR-active <span>(text{CO}_2^-)</span> state; instead, these motifs commonly relax toward carbonate-like species with strongly reduced <span>(^{13}text{C})</span> hyperfine couplings. In contrast, hydroxylated low-coordinated environments preserve stronger adsorbate-centered spin density, and the experimental <span>(text{CO}_2^-)</span> signature is most consistently represented by a family of related OH-stabilized low-coordinated motifs, especially edge and corner environments. The results provide a unified EPR-based comparison of competing <span>(text{NO}_2)</span> and <span>(text{CO}_2^-)</span> adsorption motifs on MgO(100) and identify the local environments that are most consistent with the available benchmark spectra.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"57 6-7","pages":""},"PeriodicalIF":1.1,"publicationDate":"2026-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148173428","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

Integrated In vivo MRS and Ex vivo NMR Metabolomics Reveal Metabolic Signatures of Diet-Induced Fatty Liver in Mice 综合体内MRS和体外NMR代谢组学揭示小鼠饮食诱导脂肪肝的代谢特征

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2026-05-25 DOI: 10.1007/s00723-026-01843-x

Chea-Young Lee, Seo-Young Kim, Sooah Kim, Seung-Man Yu

{"title":"Integrated In vivo MRS and Ex vivo NMR Metabolomics Reveal Metabolic Signatures of Diet-Induced Fatty Liver in Mice","authors":"Chea-Young Lee, Seo-Young Kim, Sooah Kim, Seung-Man Yu","doi":"10.1007/s00723-026-01843-x","DOIUrl":"10.1007/s00723-026-01843-x","url":null,"abstract":"<div><p>This study aimed to elucidate hepatic metabolic alterations in diet-induced fatty liver disease using a combination of high-field in vivo magnetic resonance spectroscopy (MRS) and ex vivo high-resolution NMR-based metabolomics. Specifically, we focused on the correlations between lipid accumulation and metabolic profiles. Livers from high-fat diet (HFD) fed mice (<i>n</i> = 19) and standard diet controls (<i>n</i> = 14) were examined. In vivo MRS was performed to analyze the composition of lipid protons (LP). Subsequently, liver tissue extracts were analyzed using 700 MHz NMR spectroscopy for comprehensive metabolomic profiling. Multivariate statistical analyses were employed to identify significant metabolic differences and their associations with lipid content. The HFD group exhibited a significant increase in intrahepatic fat, characterized by distinct LP ratios at 1.30, 2.25, 2.78, and 5.30 ppm. Metabolomic analysis revealed significantly decreased levels of six key metabolites in the HFD group: alanine, betaine, creatine, formate, glycine, and succinate. Correlation analyses established a strong relationship between specific LP signals and these metabolites, indicating that alterations in amino acid and energy metabolism are closely associated with the development of hepatic steatosis. Our findings highlight a distinct metabolic signature for Metabolic Dysfunction-Associated Steatotic Liver Disease (MASLD). The combined approach of in vivo MRS and high-resolution NMR serves as a powerful tool for identifying potential non-invasive biomarkers and advancing the understanding of the pathophysiological mechanisms of fatty liver disease.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"57 6-7","pages":""},"PeriodicalIF":1.1,"publicationDate":"2026-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148009673","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

EPR Spectroscopy of Er3+ and Yb3+ Ions in a CsCaF3 Crystal CsCaF3晶体中Er3+和Yb3+离子的EPR光谱

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2026-05-24 DOI: 10.1007/s00723-026-01844-w

M. L. Falin, V. A. Latypov, S. L. Korableva

引用次数: 0

In Memoriam Hans-Martin Vieth 纪念汉斯·马丁·维思

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2026-05-21 DOI: 10.1007/s00723-026-01840-0

Gerd Buntkowsky, Hans-Heinrich Limbach, Alexandra Yurkovskaya

引用次数: 0

Experimental Imaging of Packed Bed Heat Transfer by MRI with Assessment of DEM-CFD Simulation 填充床换热的MRI实验成像及DEM-CFD模拟评价

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2026-05-15 DOI: 10.1007/s00723-026-01841-z

Matthew E. Skuntz, Dinal Perera, Brenden Pelkie, Sarah L. Codd, James E. Maneval, Erick L. Johnson, Joseph D. Seymour, Ryan Anderson

{"title":"Experimental Imaging of Packed Bed Heat Transfer by MRI with Assessment of DEM-CFD Simulation","authors":"Matthew E. Skuntz, Dinal Perera, Brenden Pelkie, Sarah L. Codd, James E. Maneval, Erick L. Johnson, Joseph D. Seymour, Ryan Anderson","doi":"10.1007/s00723-026-01841-z","DOIUrl":"10.1007/s00723-026-01841-z","url":null,"abstract":"<div><p>Packed bed heating was studied with an experimental setup that allowed magnetic resonance imaging (MRI) measurement of fluorinated pore-fluid velocity and the melting of eicosane wax bound in the bed particles. The bed particles were 3.5 mm in diameter and composed of micro-scale core–shell particles mixed with a binding agent where the core of the micro-scale particles was eicosane. The phase-change of the particle-bound wax provides a directly identifiable change in MRI signal due to <i>T</i><sub>2</sub> changes from the solid to liquid phase. A methodology to compare experimental results to numerical results compiled in a commercial computational fluid dynamic (CFD) package is presented. The numerical beds were generated using discrete element modelling (DEM) methods with similar tube-to-particle-diameter ratio. The results showed similar rates of energy absorbed to the contained wax as measured by total NMR signal, but local melt distribution was different. This difference is evidenced in <i>T</i><sub>2</sub> weighted MRI images and tracking of the height to which the bed-wax has fully melted.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"57 5","pages":""},"PeriodicalIF":1.1,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00723-026-01841-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147938812","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

Semiclassical Magnetization Dynamics with Combined Landau–Lifshitz and Gilbert Relaxation and Electron Paramagnetic Resonance 结合Landau-Lifshitz和Gilbert弛豫和电子顺磁共振的半经典磁化动力学

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2026-05-02 DOI: 10.1007/s00723-026-01839-7

A. V. Popov, S. V. Demishev

{"title":"Semiclassical Magnetization Dynamics with Combined Landau–Lifshitz and Gilbert Relaxation and Electron Paramagnetic Resonance","authors":"A. V. Popov, S. V. Demishev","doi":"10.1007/s00723-026-01839-7","DOIUrl":"10.1007/s00723-026-01839-7","url":null,"abstract":"<div><p>A semiclassical model of magnetization dynamics with a combined relaxation term, including Landau–Lifshitz and Gilbert contributions, is considered and applied for the computation of the electron paramagnetic resonance (EPR) spectra. It is shown that when both contributions have comparable amplitudes, varying the relaxation parameter leads to a restructuring of the EPR spectrum, emulating a magnetic transition with an abrupt change in the resonance field and splitting of the absorption line into several spectral components. These effects occur in a system describing single magnetic oscillator with a constant gyromagnetic ratio and are caused exclusively by the peculiarities of magnetic relaxation in systems with significant damping, i.e., with broad EPR absorption lines. Such lines are characteristic of various strongly correlated electron systems, where magnetic fluctuations additionally contribute to line broadening. The simulation results show that the complex structure of EPR spectra in strongly correlated electron systems may be due to magnetic relaxation processes and, in general, may not be associated with the presence of several types of oscillating magnetic dipoles.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"57 5","pages":""},"PeriodicalIF":1.1,"publicationDate":"2026-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147802095","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

Exploiting Fast-Field-Cycling NMR Relaxometry to Differentiate Sickle Cell Hemoglobin from Hemoglobin A 利用快速场循环核磁共振弛豫法区分镰状细胞血红蛋白和血红蛋白A

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2026-04-10 DOI: 10.1007/s00723-026-01837-9

Kirsten Buniak, Manuel Arsenio Lores Guevara, Rémi Kogon, Nestor Juan Rodríguez de la Cruz, David Faux

{"title":"Exploiting Fast-Field-Cycling NMR Relaxometry to Differentiate Sickle Cell Hemoglobin from Hemoglobin A","authors":"Kirsten Buniak, Manuel Arsenio Lores Guevara, Rémi Kogon, Nestor Juan Rodríguez de la Cruz, David Faux","doi":"10.1007/s00723-026-01837-9","DOIUrl":"10.1007/s00723-026-01837-9","url":null,"abstract":"<div><p>Hemoglobin S (HbS) is the primary protein within the red blood cells of patients suffering from sickle cell anemia (SCA). SCA is a serious blood disorder that can lead to widespread organ damage and even death. Current diagnostic tests have their limits, whether it is due to cost, reliability, time constraints, staffing, or ability to distinguish between different cell types. In the search for better alternatives, many new techniques are being explored. This study investigates fast-field-cycling NMR (FFC NMR) relaxometry as a low magnetic field alternative for distinguishing HbS from healthy hemoglobin A (HbA). Five blood samples from healthy individuals and two samples from patients with sickle cell disease (SCD) were processed by classical methods. Each HbA and HbS sample was subjected to repeated measurements of the frequency-dependent relaxation rate <span>({R}_{1}left(fright))</span>. Each NMR dispersion (NMRD) profile was analyzed using the 3-Tau Model (3TM) providing seven physically meaningful fit parameters per sample. The 3TM analysis of NMRD profiles allows HbA and HbS to be clearly distinguished. The surface water dynamic time constant <span>({tau }_{l})</span> and desorption time constant <span>({tau }_{d})</span> for HbS were found to be approximately half those for HbA. The bulk water dynamic correlation time <span>({tau }_{b})</span> was found to be linked to HbS polymerization and directly related to viscosity. The Fe(III) content was important for defining the shape and form of the NMRD profiles. Protein dynamics do not contribute significantly to NMRD profiles. The FFC NMR approach with 3TM analysis shows promise as a diagnostic technique for SCD.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"57 3-4","pages":""},"PeriodicalIF":1.1,"publicationDate":"2026-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00723-026-01837-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147643161","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

Optimizing Diffusion Tensor Imaging (DTI) via Deep Learning with Minimal Number of Diffusion Encoding Gradient Directions (NDGD) 基于最小数量扩散编码梯度方向的深度学习优化扩散张量成像（DTI）

IF 1.1 4区物理与天体物理

Applied Magnetic Resonance Pub Date : 2026-04-09 DOI: 10.1007/s00723-026-01836-w

Sarah Saeed Khan, Irfan Ullah, Faisal Najeeb, Hammad Omer

{"title":"Optimizing Diffusion Tensor Imaging (DTI) via Deep Learning with Minimal Number of Diffusion Encoding Gradient Directions (NDGD)","authors":"Sarah Saeed Khan, Irfan Ullah, Faisal Najeeb, Hammad Omer","doi":"10.1007/s00723-026-01836-w","DOIUrl":"10.1007/s00723-026-01836-w","url":null,"abstract":"<div><p>Diffusion tensor imaging (DTI) provides valuable microstructural information through 3D diffusion measurements, with its accuracy largely dependent on the number of diffusion-encoding gradient directions (NDGD). While higher NDGD improves estimates of metrics such as mean diffusivity (MD) and Fractional Anisotropy (FA), it also increases scan time and computational burden. To address this, we propose a U-Net-based model that integrates Inception modules for multiscale feature extraction and Convolutional Block Attention Modules (CBAM) for refining spatial and channel information. The model generates high-quality, increased NDGD-equivalent data from reduced NDGD, thereby preserving critical microstructural details while significantly reducing scan time. The experimental results demonstrate strong performance, with an SSIM of 99.75%, PSNR of 55.9 dB, and low Artifact Power (0.14). Furthermore, FA and MD maps derived from the model closely matched those from full NDGD, confirming its robustness. These findings highlight the potential of the proposed approach to make DTI more efficient and clinically practical by shortening scans without compromising diagnostic accuracy or patient comfort.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"57 3-4","pages":""},"PeriodicalIF":1.1,"publicationDate":"2026-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147642512","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