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Impact of γ-Irradiation on Separation of Nuclear Spin-Relaxation Mechanisms Under Magnetic Saturation in a NaF Crystal γ-辐照对 NaF 晶体磁饱和状态下核磁自旋共振机制分离的影响
IF 1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-07-05 DOI: 10.1007/s00723-024-01675-7
A. M. Rochev, V. M. Mikushev, E. V. Charnaya

Studies were carried out on the effect of additional continuous magnetic saturation of the NMR line on nuclear spin relaxation in a NaF single crystal before and after γ-irradiation. The times of magnetization recovery after inversion were measured at room temperature using a Bruker Avance 400 pulse spectrometer. The magnetic saturation was obtained by exciting a long additional resonance pulse. Two main contributions to relaxation for quadrupole 23Na nuclei, due to spin-phonon coupling in a regular crystalline lattice and due to magnetic centers, were separated by suppressing the latter contribution. γ-irradiation was shown to enhance spin relaxation, however, the magnetic saturation does not suppress the contribution of color centers. The times corresponding to 23Na relaxation due to spin-phonon coupling in a regular lattice, due to magnetic centers and color centers were evaluated. It was shown that the rate of spin–lattice relaxation for dipole 19F nuclei was not affected by magnetic saturation.

研究了γ-辐照前后 NMR 线附加连续磁饱和对 NaF 单晶核自旋弛豫的影响。使用布鲁克 Avance 400 脉冲光谱仪在室温下测量了反转后磁化恢复的时间。磁饱和是通过激发一个长的附加共振脉冲获得的。四极 23Na 核的弛豫有两个主要贡献,一个是规则晶格中的自旋-声子耦合,另一个是磁中心的贡献。γ-辐照可增强自旋弛豫,但磁饱和并不能抑制色心的贡献。对规则晶格中由于自旋-声子耦合、磁中心和色心引起的 23Na 松弛的相应时间进行了评估。结果表明,偶极 19F 核的自旋-晶格弛豫速率不受磁饱和的影响。
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引用次数: 0
DEER Study of Spatial Arrangement of Spin-Labeled Diclofenac in Lipid Bilayers of Different Composition 自旋标记双氯芬酸在不同成分脂质双分子层中的空间排列 DEER 研究
IF 1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-07-02 DOI: 10.1007/s00723-024-01674-8
Anna S. Kashnik, Anastasiya N. Atnyukova, Denis S. Baranov, Sergei A. Dzuba

Diclofenac is a non-steroidal anti-inflammatory drug (NSAID). Here, we use double electron–electron resonance (DEER, also known as PELDOR) to study the interaction of spin-labeled diclofenac (diclofenac-SL) with three types of model membranes consisting of palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC), an equimolar mixture of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) and 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC), and this mixture with the addition of 20 mol% cholesterol. The results suggest that lipid-mediated lateral clustering of diclofenac-SL molecules occurs in all cases. For the POPC bilayer, alternative clustering takes place in two opposite leaflets, with random distribution of the molecules within the clusters. For DOPC/DPPC and DOPC/DPPC/cholesterol bilayers, diclofenac-SL molecules are separated by a distance of at least 1.4 nm. DOPC/DPPC/cholesterol bilayers are known to form nanoscale liquid disordered and liquid ordered lateral structures, the latter called lipid rafts. For this case, diclofenac-SL molecules were found to be captured by lipid rafts, forming a quasi-regular two-dimensional substructure in them with a “superlattice” parameter of ~ 3.0 nm.

双氯芬酸是一种非甾体抗炎药(NSAID)。在这里,我们利用双电子-电子共振(DEER,又称 PELDOR)研究了自旋标记的双氯芬酸(diclofenac-SL)与三种模型膜的相互作用,这三种膜包括棕榈酰-2-油酰-sn-甘油-3-磷酸胆碱(POPC)、1,2-二棕榈酰-sn-甘油-3-磷酸胆碱(DPPC)和 1,2-二油酰-sn-甘油-3-磷酸胆碱(DOPC)的等摩尔混合物,以及添加 20 摩尔%胆固醇的该混合物。结果表明,在所有情况下,双氯芬酸-SL 分子都会发生脂质介导的横向聚集。对于 POPC 双层,替代聚类发生在两个相对的小叶中,分子在聚类中随机分布。在 DOPC/DPPC 和 DOPC/DPPC/ 胆固醇双分子层中,双氯芬酸-SL 分子之间的距离至少为 1.4 nm。已知 DOPC/DPPC/ 胆固醇双层膜可形成纳米级的液态无序和液态有序横向结构,后者称为脂筏。在这种情况下,双氯芬酸-SL 分子被脂筏捕获,在其中形成准规则的二维子结构,其 "超晶格 "参数约为 3.0 nm。
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引用次数: 0
Electron Spin Resonance Spectroscopy on Magnetic van der Waals Compounds 磁性范德华化合物的电子自旋共振光谱学
IF 1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-07-01 DOI: 10.1007/s00723-024-01671-x
Vladislav Kataev, Bernd Büchner, Alexey Alfonsov

The field of research on magnetic van der Waals compounds—a special subclass of quasi-two-dimensional materials—is currently rapidly expanding due to the relevance of these compounds to fundamental research where they serve as a playground for the investigation of different models of quantum magnetism and also in view of their unique magneto-electronic and magneto-optical properties pertinent to novel technological applications. The electron spin resonance (ESR) spectroscopy plays an important role in the exploration of the rich magnetic behavior of van der Waals compounds due to its high sensitivity to magnetic anisotropies and unprecedentedly high energy resolution that altogether enable one to obtain thorough insights into the details of the spin structure in the magnetically ordered state and the low-energy spin dynamics in the ordered and paramagnetic phases. This article provides an overview of the recent achievements in this field made by the ESR spectroscopic techniques encompassing representatives of antiferro- and ferromagnetic van der Waals compounds of different crystal structures and chemical composition as well as of a special category of these materials termed magnetic topological insulators.

磁性范德瓦耳斯化合物--准二维材料的一个特殊子类--的研究领域目前正在迅速扩大,这是因为这些化合物与基础研究息息相关,是研究不同量子磁性模型的场所,同时还因为它们具有与新型技术应用相关的独特磁电子和磁光特性。电子自旋共振 (ESR) 光谱在探索范德瓦耳斯化合物丰富的磁性行为方面发挥着重要作用,因为它对磁各向异性具有高灵敏度和前所未有的高能量分辨率,使人们能够深入了解磁有序态的自旋结构细节以及有序和顺磁相的低能自旋动力学。本文概述了 ESR 光谱技术在这一领域取得的最新成就,包括不同晶体结构和化学成分的反铁磁性和铁磁性范德华化合物的代表,以及被称为磁性拓扑绝缘体的特殊材料类别。
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引用次数: 0
Hydration and Hydrolysis of Boron-Substituted Aluminophosphate BAPO-5 According to Solid-State NMR and DFT Calculations 根据固态核磁共振和 DFT 计算得出的硼代磷酸铝 BAPO-5 的水合和水解作用
IF 1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-06-27 DOI: 10.1007/s00723-024-01673-9
Ilya V. Yakovlev, Evgeniy S. Papulovskiy, Aleksandr A. Shubin, Aleksandr V. Toktarev, Olga B. Lapina

Microporous aluminophosphates (AlPOs) are prospective materials that can be used as molecular sieves and adsorbents in their pure form or catalysts and catalyst supports when some of the sites are substituted with heteroatoms. One of the approaches to create and finely tune Brønsted acid sites in AlPO is simultaneous introduction of Si and B into the framework. However, boron substitution of AlPOs is briefly studied and proceeds with difficulties. Here, we apply multinuclear solid-state nuclear magnetic resonance together with DFT calculations to investigate the behavior of aluminophosphate AlPO-5 and its boron-substituted analogue BAPO-5 upon interaction with water. We demonstrate that the structure of AlPO-5 facilitates a homogeneous distribution of water molecules and makes BAPO-5 less susceptible to hydrolysis compared to microporous AlPO-11 and BAPO-11.

微孔铝磷酸盐(AlPOs)是一种前景广阔的材料,其纯净形式可用作分子筛和吸附剂,当部分位点被杂原子取代时,还可用作催化剂和催化剂载体。在 AlPO 中创建和微调布氏酸位点的方法之一是在框架中同时引入 Si 和 B。然而,对 AlPO 的硼置换研究较少,且进展困难。在这里,我们应用多核固态核磁共振和 DFT 计算研究了磷酸铝 AlPO-5 及其硼取代类似物 BAPO-5 与水作用时的行为。我们证明,AlPO-5 的结构有利于水分子的均匀分布,与微孔 AlPO-11 和 BAPO-11 相比,BAPO-5 更不易水解。
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引用次数: 0
Crossover to XXZ Chain Spin Liquid in the Frustrated Quantum Magnet Cs $$_2$$ CoCl $$_4$$ 受挫量子磁体 Cs $$_2$$ CoCl $$_4$$ 中向 XXZ 链自旋液体的跨越
IF 1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-06-27 DOI: 10.1007/s00723-024-01669-5
T. A. Soldatov, V. S. Edelman, A. I. Smirnov

We study 25–120 GHz electron spin resonance in a quasi-two-dimensional (S=) 3/2 antiferromagnet on an isosceles triangular lattice Cs(_2)CoCl(_4). Due to the frustration of the exchange interaction along the lateral sides of the triangles, the exchange network may be viewed as a quasi-one-dimensional system of weakly interacting chains. The strong single-ion anisotropy of Co(^{2+}) allows a pseudospin (s=) 1/2 formulation of the problem. We observe in experiments a well-pronounced temperature crossover from the ESR of individual pseudospins with a g-factor of 3.3 (corresponding well to individual pseudospins s=1/2) to ESR spectrum shifted strongly down in frequency at the temperature range below 1 K. This shifted ESR spectrum corresponds well to the singularity at the lower boundary of the quasi-spinon continuum of an XXZ spin chain in a transverse field, calculated in theory by Bruognolo et al., in Phys Rev B 94:085136, 2016 and by Laurell et al., in Phys Rev Lett 127:037201, 2021.

我们研究了等腰三角形晶格 Cs(_2)CoCl(_4) 上准二维 (S=) 3/2 反铁磁体中的 25-120 GHz 电子自旋共振。由于沿三角形侧边的交换相互作用受挫,交换网络可以被看作是一个由弱相互作用链组成的准一维系统。Co(^{2+}) 的强单离子各向异性使得我们可以用 pseudospin (s=) 1/2来表述这个问题。我们在实验中观察到,在低于 1 K 的温度范围内,从 g 因子为 3.3 的单个伪自旋的 ESR(与单个 s=1/2 的伪自旋完全对应)到频率强烈下移的 ESR 谱,出现了明显的温度交叉。这种下移的 ESR 谱与 Bruognolo 等人在横向场中计算出的 XXZ 自旋链的准自旋连续体的下边界奇点完全对应、B 94:085136, 2016》和 Laurell 等人在《Phys Rev Lett 127:037201, 2021》中的理论计算。
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引用次数: 0
Impact of Porous Matrix Morphology on the Phase Diagrams in the GaInSn Alloy Under Nanoconfinement 多孔基质形态对纳米强化下 GaInSn 合金相图的影响
IF 1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-06-26 DOI: 10.1007/s00723-024-01672-w
A. A. Vasilev, D. Yu. Nefedov, E. V. Charnaya, Yu. A. Kumzerov, A. V. Fokin

Gallium alloys are widespread materials in microelectronics and are promising as components of nanocomposites for using in soft robotics, wearable electronics, and sensors. Here, we present NMR studies of the impact of a particular nanoconfinement on the phase diagram for the GaInSn eutectic alloy in a porous Al2O3 ceramic template with the middle pore size 11 nm. Measurements of the NMR spectra and Knight shifts were carried out for 71Ga, 69Ga, and 115In isotopes from 180 to 310 K. The precipitation of gallium-rich segregates with crystalline structures of α- and β-Ga was found at cooling. The evolution of the NMR lines during cooling and warming evidenced the occurrence of the liquid–liquid-phase transition in the melt fraction with pronounced amount of indium. The results obtained for the GaInSn alloy embedded into the porous aluminum oxide ceramic were found to differ remarkably from the phase diagrams of the alloy confined within silica opal and glass porous matrices.

镓合金是微电子学中广泛使用的材料,作为纳米复合材料的成分,它在软机器人、可穿戴电子设备和传感器中的应用前景广阔。在此,我们就特定纳米细化对中间孔径为 11 纳米的多孔 Al2O3 陶瓷模板中 GaInSn 共晶合金相图的影响进行了核磁共振研究。在 180 至 310 K 范围内,对 71Ga、69Ga 和 115In 同位素进行了核磁共振波谱和 Knight 移位测量。冷却和升温过程中核磁共振谱线的变化证明,在含有大量铟的熔体部分发生了液-液相转变。嵌入多孔氧化铝陶瓷中的 GaInSn 合金的研究结果与嵌入硅蛋白石和玻璃多孔基质中的合金相图有明显不同。
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引用次数: 0
Automated Quantification of Lateral and Medial Temporal Lobe Volumes for Improved Diagnosis of Early Alzheimer’s Disease 自动量化颞叶外侧和内侧容积,提高早期阿尔茨海默病诊断水平
IF 1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-06-25 DOI: 10.1007/s00723-024-01667-7
Marufjon Salokhiddinov, Dharmesh Singh, Akash Gandhamal, Dileep Kumar, Elisabeth Stamou, Munojat Ismailova, Gulnora Rakhimbaeva, Dilshod Tolibov

The purpose of this study was to evaluate the importance of automated lateral and medial temporal volume measurement technique for the early diagnosis of Alzheimer's disease (AD). A cross-sectional T1-weighted magnetic resonance image was obtained from 39 healthy adults and 39 patients with mild AD. The study demonstrates significant volume loss in the lateral temporal lobe (LTL) and medial temporal lobe (MTL) regions of the brain in early cases of AD, suggesting that volume loss could be used as a viable biomarker for mild AD diagnosis. Using a deep learning-based auto-segmentation network (CINet), the study accurately estimates the volumes of various LTL and MTL brain regions. Notably, higher volume loss is observed in the left MTL and LTL regions compared to the right, indicating an asymmetric impact in mild AD. The study underscores the significance of automated technique for AD diagnosis and monitoring disease progression, contributing valuable insights for potential early interventions.

本研究的目的是评估颞叶外侧和内侧容积自动测量技术对阿尔茨海默病(AD)早期诊断的重要性。研究人员采集了 39 名健康成人和 39 名轻度阿尔茨海默病患者的横断面 T1 加权磁共振图像。研究表明,在早期阿兹海默症病例中,大脑外侧颞叶(LTL)和内侧颞叶(MTL)区域的体积明显缩小,这表明体积缩小可作为诊断轻度阿兹海默症的可行生物标志物。该研究利用基于深度学习的自动分割网络(CINet),准确估算出了不同LTL和MTL脑区的体积。值得注意的是,与右侧相比,左侧 MTL 和 LTL 区域的体积损失更大,这表明轻度注意力缺失症的影响是不对称的。这项研究强调了自动化技术在诊断和监测AD疾病进展方面的重要意义,为潜在的早期干预措施提供了宝贵的见解。
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引用次数: 0
Lindblad Relaxation of Multiple Quantum NMR Coherence in Two-Spin Systems 双针系统中多重量子核磁共振相干的林德布拉德弛豫
IF 1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-06-25 DOI: 10.1007/s00723-024-01668-6
G. A. Bochkin, E. B. Fel’dman, E. I. Kuznetsova, S. G. Vasil’ev

The Lindblad equation for dissipative open systems is applied for an investigation of relaxation of multiple-quantum (MQ) NMR coherences in two-spin systems. We choose two examples of two-spin systems. One of them is the zigzag proton chain in a single crystal of hambergite in such an orientation that one of the two intra-chain dipolar coupling constants becomes zero. Then, the chain consists of well-isolated pairs of spins, with the spins of each pair coupled by the dipole–dipole interaction. The second example of a two-spin system is a single crystal of gypsum in which protons belong to water molecules. The MQ NMR dynamics with relaxation was investigated for different preparation times of the MQ NMR experiment.

我们将耗散开放系统的林德布拉德方程用于研究双自旋系统中多量子(MQ)核磁共振相干性的弛豫。我们选择了两个双自旋系统的例子。其中一个是汉贝格石单晶体中的人字形质子链,其取向使得链内两个双极耦合常数中的一个变为零。这样,质子链就由孤立的成对自旋组成,每对自旋通过偶极-偶极相互作用耦合在一起。双自旋系统的第二个例子是石膏单晶体,其中的质子属于水分子。研究了不同 MQ NMR 实验准备时间下的 MQ NMR 动态弛豫。
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引用次数: 0
Translational Mobility in Ternary Systems “Lithium Acetate–Cesium Acetate–Water” According to PFG NMR Data 根据 PFG NMR 数据得出的 "醋酸锂-醋酸铯-水 "三元体系中的转化迁移率
IF 1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-06-22 DOI: 10.1007/s00723-024-01670-y
Kirill A. Mukhin, Olga N. Pestova, Vladimir V. Matveev, Vladimir I. Chizhik

The development of ecofriendly electrolytes for lithium-ion batteries is one of the actual tasks of modern electrochemistry. In particular, to this purpose, the highly concentrated ternary aqueous systems based on lithium acetate (LiOAc) have been actively investigated. Here, the diffusion coefficients of 7Li+ and 133Cs+ cations, OAc anion, as well as water (1H), in ternary aqueous solutions of cesium and lithium acetates in a range of temperature (– 15 ÷ 35 °C) have been measured using the PFG NMR method. A direct attempt to interpret the obtained dependences within the framework of the Stokes–Einstein model led to the fact that the calculated hydrodynamic radius of the Cs+ cation turned out to be noticeably smaller than its crystallographic one. An approach to describing the high rate of diffusion of cesium cations is proposed, based on taking into account the local viscosity near cations of both types. The use of the approach allowed us to calculate more correctly the hydrodynamic radii of cations, while remaining within the framework of the Stokes–Einstein model. As a result, it has been possible to describe the features of translational motion of components in a complex system that is interesting for electrochemical applications.

为锂离子电池开发生态友好型电解质是现代电化学的实际任务之一。为此,人们对基于醋酸锂(LiOAc)的高浓度三元水体系进行了积极研究。在此,使用 PFG NMR 方法测量了 7Li+ 和 133Cs+ 阳离子、OAc- 阴离子以及水 (1H) 在铯和醋酸锂三元水溶液中的扩散系数,温度范围为 - 15 ÷ 35 °C。直接尝试在斯托克斯-爱因斯坦模型的框架内解释所获得的相关性,结果发现计算出的 Cs+ 阳离子的流体力学半径明显小于其晶体学半径。考虑到两种类型阳离子附近的局部粘度,我们提出了一种描述铯阳离子高扩散率的方法。使用这种方法,我们可以更准确地计算阳离子的流体力学半径,同时保持在斯托克斯-爱因斯坦模型的框架内。因此,我们有可能描述一个复杂系统中成分平移运动的特征,这对电化学应用很有意义。
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引用次数: 0
Designing Gradient Coils Considering the Ferromagnetic Effect for a Movable Permanent MRI System 为可移动永久磁共振成像系统设计考虑铁磁效应的梯度线圈
IF 1 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2024-06-19 DOI: 10.1007/s00723-024-01664-w
Jiamin Wu, Zheng Xu, Yanhe Zhu, Yucheng He

The gradient coils represent an indispensable constituent within magnetic resonance imaging systems. Their performance significantly impacts the quality of images, particularly the nonlinearity of the gradient magnetic field. Due to the presence of ferromagnetic materials surrounding the gradient coil in the permanent magnet system, the magnetic field of the gradient coil experiences influence. Consideration must be given to ferromagnetic materials during the design phase. The objective of this study is to design gradient coils that mitigates the impact of ferromagnetic materials on gradient field linearity. In this paper, the original coil structure is formulated utilizing the discrete trajectory method, while introducing mirrored current to elucidate the effects of ferromagnetic material. Through the integration of these two methods, gradient coil structures with excellent linearity are achieved. Ultimately, the optimal gradient coils are fabricated, and computational as well as experimental findings demonstrate concordance between measured nonlinear degree and efficiency of the gradient coils with theoretical calculations in the presence of ferromagnetic materials.

梯度线圈是磁共振成像系统中不可或缺的组成部分。它们的性能对图像质量有重大影响,特别是梯度磁场的非线性。由于永磁系统中梯度线圈周围存在铁磁材料,梯度线圈的磁场会受到影响。在设计阶段必须考虑到铁磁材料。本研究的目的是设计能减轻铁磁材料对梯度磁场线性影响的梯度线圈。本文利用离散轨迹法制定了原始线圈结构,同时引入镜像电流来阐明铁磁材料的影响。通过整合这两种方法,实现了线性度极佳的梯度线圈结构。最终,最佳梯度线圈被制造出来,计算和实验结果表明,在铁磁材料存在的情况下,梯度线圈的非线性度和效率与理论计算结果一致。
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引用次数: 0
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Applied Magnetic Resonance
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