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Multispin Cross-Correlated Transverse Dipolar NMR Relaxation in Solution 溶液中的多自旋交叉相关横向偶极核磁共振弛豫
IF 0.6 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2022-04-12 DOI: 10.1155/2022/1617848
E. Zuiderweg
In this paper, we want to consider what would be involved in calculating the R2 relaxation of amide protons in a protein caused by dipolar interactions with nearby protons, for which there are many. NMR textbooks give analytical equations and sometimes derivations for solution NMR relaxation due to dipolar interactions between two spins. There are also closed equations for dipolar interactions between three spins, which include relaxation interference, also known as cross-correlated cross-relaxation. We here derive an expression for interference between four spins. For larger systems, such as amide protons in a protein, we develop a local-field methodology, from which solution relaxation interference can be computed for a basically limitless number of interacting spins.
在本文中,我们想要考虑计算蛋白质中酰胺质子的R2弛豫所涉及的是由与附近质子的偶极相互作用引起的,这样的质子有很多。核磁共振课本给出了由于两个自旋之间的偶极相互作用而引起的溶液核磁共振弛豫的解析方程,有时也给出了推导。也有三个自旋之间的偶极相互作用的封闭方程,其中包括弛豫干扰,也称为交叉相关交叉弛豫。我们在这里导出了四个自旋之间干涉的表达式。对于更大的系统,如蛋白质中的酰胺质子,我们开发了一种局部场方法,从这种方法可以计算出基本上无限数量的相互作用自旋的溶液弛豫干扰。
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引用次数: 1
Groundwater Potential Assessment Using Vertical Electrical Sounding and Magnetic Methods: A Case of Adilo Catchment, South Nations, Nationalities and Peoples Regional Government, Ethiopia 利用垂直电测深和磁法评价地下水潜力:以阿迪洛流域为例,埃塞俄比亚南部国家、民族和人民地区政府
IF 0.6 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2021-12-08 DOI: 10.1155/2021/5424865
Mulugeta Markos, A. Saka, L. Jule, N. Nagaprasad, K. Ramaswamy
Vertical electrical sounding and magnetic methods were carried out to assess groundwater potential in Adilo catchment, Kembata Tembaro Zone, South Nations, Nationalities and Peoples Regional Government, Main Ethiopian Rift. The data were acquired from eight VES points using Schlumberger electrode arrays with maximum half current electrode spacing ( AB / 2 = 500 ) and 253 magnetic data points were analyzed. The qualitative analysis of VES data was accomplished by using curves, apparent resistivity, and pseudodepths, and the quantitative interpretations of the VES data were constructed by the VES data using IPI-Res3, IPI2Win, and surfer software and constructing geoelectric section along with profiles and lithological information from the borehole and Geosoft interpretation was used for magnetic data. The VES results of the data revealed five geoelectric layers which differ in degree of fracturing, weathering, and formation. The upward continued magnetic field map anomaly to 560 m illustrated northwestern to the southwest; areas have a low magnetic anomaly. Examining the potential aquifer of profile one’s geoelectric section, the horizons of layer four were better potential aquifers as the highly fractured and weathered ignimbrite zone of layer five of VES13 was 219 m deeper than the depths of the other VES points, and along with profile two geoelectric sections, the horizon of layer four VES23 layer five has the lowest resistivity with large thickness at a depth of 253 m. Thus, the low resistivity and the large thickness of these formations are an indication of the high yield of groundwater potential in the study area.
采用垂直电测深和磁法评估了埃塞俄比亚主要裂谷南部国家、民族和人民地区政府Kembata Tembaro地区Adilo集水区的地下水潜力。使用最大半电流电极间距(AB / 2 = 500)的斯伦贝谢电极阵列从8个VES点获取数据,并分析了253个磁数据点。利用测井曲线、视电阻率、拟深度等方法对VES数据进行定性分析,利用IPI-Res3、IPI2Win和surfer软件对VES数据进行定量解释,并结合钻孔剖面和岩性信息构建地电剖面,利用Geosoft软件对磁力数据进行解释。探测结果显示了5个地电层,这些地电层的压裂程度、风化程度和地层形成程度各不相同。560m的向上连续磁场图异常由西北向西南方向显示;该地区具有低磁异常。对1号剖面地电剖面的潜在含水层进行检测发现,VES13第5层高度断裂风化的火成岩带比其他测点深度深219 m,第4层为较好的潜在含水层,与2号剖面地电剖面一样,VES23第5层的层位在深度253 m处电阻率最低,厚度较大。因此,这些地层的低电阻率和大厚度表明研究区地下水潜力高。
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引用次数: 5
What Are the Relative Intensities of the Components of NMR Spectral Multiplets from Quadrupolar Nuclei in Uniformly Anisotropic Media? 均匀各向异性介质中四极核磁共振波谱多态各组分的相对强度是什么?
IF 0.6 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2021-02-18 DOI: 10.1155/2021/8890478
S. Elliott, P. Kuchel
Stretched hydrogels make uniformly anisotropic environments for quadrupolar nuclei such as 2H, 23Na, and 133Cs. Such surroundings cause the partial alignment of nuclear spin bearing ions and molecules that is sufficiently pronounced to alter the nuclear magnetic resonance spectra of the guest species. In most cases, resonance splittings are directly related to the spin quantum number I. The relative intensities of the components of the resonance multiplets can be inferred from basic quantum mechanics.
拉伸后的水凝胶为四极核(如2H、23Na和133c)提供了均匀的各向异性环境。这样的环境导致核自旋离子和分子的部分排列,这足以改变客体物种的核磁共振光谱。在大多数情况下,共振分裂与自旋量子数i直接相关,共振多重态各分量的相对强度可以从基本量子力学中推断出来。
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引用次数: 1
A Statistical Robust Approach to Design Parallel Transmit Radiofrequency Excitations in MRI 磁共振成像中平行发射射频激励设计的统计鲁棒方法
IF 0.6 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2020-09-18 DOI: 10.1155/2020/6018107
V. Gras, F. Mauconduit, N. Boulant
In MRI, at ultrahigh field, the use of parallel transmit radiofrequency (RF) arrays is very beneficial to better control spin excitation spatially. In that framework, the so-called “universal pulse” technique, proposed recently for head imaging at 7 tesla, gives access to “plug-and-play” nonadiabatic solutions exhibiting good robustness against intersubject variations in the resonant transmit fields. This new type of solution has been defined so far as the result of numerical pulse optimizations performed across a collection of RF field maps acquired on a small population sample (pulse design database). In this work, we investigate an alternative universal pulse design approach in the linear small tip angle regime whereby the database of RF field maps is first transformed into a second-order statistical model and which then exploits a statistical robust design formalism for the optimization of the RF and magnetic field gradient waveforms. Experimental validation with an eightfold transmit RF coil for 7 tesla brain imaging shows that this new approach brings some benefit in terms of computational efficiency. Hence, for a design database composed of 35 maps, the computation time initially of 50 min could be reduced down to 3 min. The proposed statistical approach thus enables integration of large databases, presumably necessary to ensure robust solutions. Finally, it provides means to compute flip angle statistics and, along with it, simple performance metrics for quality assurance (RF pulse performance) or guidance in the optimization of TX array architectures.
在磁共振成像中,在超高场下,平行发射射频(RF)阵列的使用有利于更好地控制自旋激发的空间。在这个框架下,所谓的“通用脉冲”技术,最近被提出用于7特斯拉的头部成像,提供了“即插即用”的非绝热解决方案,在共振发射场的主体间变化中表现出良好的鲁棒性。到目前为止,这种新型解决方案已被定义为在小样本(脉冲设计数据库)上获得的射频场图集合上进行数值脉冲优化的结果。在这项工作中,我们研究了线性小尖端角区域的另一种通用脉冲设计方法,其中射频场图数据库首先转换为二阶统计模型,然后利用统计鲁棒设计形式来优化射频和磁场梯度波形。用8倍发射射频线圈进行7特斯拉脑成像的实验验证表明,这种新方法在计算效率方面有一定的好处。因此,对于由35张图组成的设计数据库,可以将最初50分钟的计算时间减少到3分钟。因此,所建议的统计方法可以集成大型数据库,这可能是确保健壮的解决方案所必需的。最后,它提供了计算翻转角统计数据的方法,以及用于质量保证的简单性能指标(RF脉冲性能)或TX阵列架构优化的指导。
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引用次数: 4
Solution of the Bloch Equations including Relaxation 包含松弛的Bloch方程的解
IF 0.6 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2020-09-02 DOI: 10.1155/2020/8819956
E. Johnston
The magnetization differential equations of Bloch are integrated using a matrix diagonalization method. The solution describes several limiting cases and leads to compact expressions of wide validity for a spin ensemble initially at equilibrium.
采用矩阵对角化方法对布洛赫磁化微分方程进行了积分。该解描述了几种极限情况,并得到了初始处于平衡态的自旋系综具有广泛有效性的紧化表达式。
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引用次数: 1
Lineshape of Magnetic Resonance and its Effects on Free Induction Decay and Steady-State Free Precession Signal Formation 磁共振线形及其对自由感应衰减和稳态自由进动信号形成的影响
IF 0.6 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2020-01-19 DOI: 10.1155/2020/5057386
C. Ziener, M. Uhrig, T. Kampf, V. Sturm, F. Kurz, S. Heiland, M. Bendszus, M. Pham, P. Jakob, H. Schlemmer, L. Buschle
Magnetic resonance imaging based on steady-state free precision (SSFP) sequences is a fast method to acquire , , and - weighted images. In inhomogeneous tissues such as lung tissue or blood vessel networks, however, microscopic field inhomogeneities cause a nonexponential free induction decay and a non-Lorentzian lineshape. In this work, the SSFP signal is analyzed for different prominent tissue models. Neglecting the effect of non-Lorentzian lineshapes can easily result in large errors of the determined relaxation times. Moreover, sequence parameters of SSFP measurements can be optimized for the nonexponential signal decay in many tissue structures.
基于稳态自由精度(SSFP)序列的磁共振成像是一种快速获取图像和加权图像的方法。然而,在不均匀的组织中,如肺组织或血管网络,微观场的不均匀性会导致非指数自由诱导衰减和非洛伦兹线形。在这项工作中,分析了不同突出组织模型的SSFP信号。忽略非洛伦兹线形的影响很容易导致松弛时间的确定误差很大。此外,SSFP测量的序列参数可以针对许多组织结构中的非指数信号衰减进行优化。
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引用次数: 4
Brain and Hepatic Glucose Utilization in Malarial Infection Does Not Depend on Cerebral Symptoms of the Disease 疟疾感染的脑和肝葡萄糖利用不依赖于疾病的脑症状
IF 0.6 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2019-12-19 DOI: 10.1155/2019/3542393
Soumita Ghosh, Arjun Sengupta, Shobhona Sharma, H. M. Sonawat
Cerebral malaria causes several deaths every year. Global metabolic alteration, specifically hypoglycemia and lactic acidosis are hallmarks of severe malaria. Glucose being the major fuel source for the brain, it is important to understand cerebral glucose utilization in the host during cerebral complications of the disease that may have a significant role in cerebral pathogenesis. We have used 13C NMR spectroscopy to understand glucose utilization in the brain and liver of mice with cerebral malaria (CM), noncerebral malaria (NCM), and in control mice. Animals were challenged with intravenous glucose bolus followed by metabolic profiling of brain and liver extracts. Our result suggests a differential glucose utilization in the malaria group with respect to that of controls, while no difference between CM and NCM.
脑疟疾每年造成数人死亡。全球代谢改变,特别是低血糖和乳酸性酸中毒是严重疟疾的标志。葡萄糖是大脑的主要燃料来源,了解宿主在脑并发症期间脑葡萄糖的利用可能在脑发病机制中起重要作用。我们利用13C核磁共振光谱研究了脑型疟疾(CM)、非脑型疟疾(NCM)和对照小鼠脑和肝脏中葡萄糖的利用情况。小鼠接受静脉注射葡萄糖,然后对脑和肝脏提取物进行代谢分析。我们的结果表明,疟疾组的葡萄糖利用率与对照组不同,而CM和NCM之间没有差异。
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引用次数: 1
Magic Angle Spinning and Truncated Field Concept in NMR 核磁共振中的魔角旋转和截断场概念
IF 0.6 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2019-12-04 DOI: 10.1155/2019/5895206
J. Jenczyk
In order to thoroughly comprehend and adequtely interpret NMR data, it is necessary to perceive the complex structure of spin Hamiltonian. Although NMR principles have been extensively discussed in a number of distinguished introductory publications, it still remains difficult to find illustrative graphical models revealing the tensorial nature of spin interaction. Exposure of the structure standing behind mathematical formulas can clarify intangible concepts and provide a coherent image of basic phenomena. This approach is essential when it comes to hard to manage, time-dependent processes such as Magic Angle Spinning (MAS), where the anisotropic character of the spin system interactions couple with experimentally introduced time evolution processes. The presented work concerns fundamental aspects of solid state NMR namely: the uniqueness of the tetrahedral angle and evolution of both dipolar D and chemical shield σ coupling tensors under MAS conditions.
为了全面地理解和充分地解释核磁共振数据,有必要了解自旋哈密顿量的复杂结构。尽管核磁共振原理已经在许多著名的介绍性出版物中进行了广泛的讨论,但仍然很难找到说明自旋相互作用的张量性质的图形模型。揭示数学公式背后的结构可以澄清无形的概念,并提供基本现象的连贯图像。当涉及到难以管理的时间依赖过程时,这种方法是必不可少的,例如魔角旋转(MAS),其中自旋系统相互作用的各向异性特征与实验引入的时间演化过程相耦合。提出的工作涉及固态核磁共振的基本方面,即:四面体角的唯一性和双极D和化学屏蔽σ耦合张量在MAS条件下的演变。
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引用次数: 1
Quantitative Susceptibility Mapping of Magnetic Quadrupole Moments 磁四极矩的定量敏感性作图
IF 0.6 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2019-08-06 DOI: 10.1155/2019/7174937
Junghun Cho, Dong Zhou, Youngwook Kee, P. Spincemaille, Yi Wang
We modeled the magnetic field up to the quadrupole term to investigate not only the average susceptibility (dipole), but also the susceptibility distribution (quadrupole) contribution. Expanding the magnetic field up to the 2nd order provides the quadrupole (0th: monopole, 1st: dipole). Numerical simulations were performed to investigate the quadrupole contribution with subvoxel nonuniformity. Conventional dipole and our dipole + quadrupole models were compared in the simulation, the phantom and human brain. Furthermore, the quadrupole field was compared with the anisotropic susceptibility field in the dipole tensor model. In a nonuniformity case, numerical simulations showed a nonnegligible quadrupole field contribution. Our study showed a difference between the two methods in the susceptibility map at the edges; both the phantom and human studies showed sharper structural edges with the dipole + quadrupole model. Quadrupole moments showed contrast mainly at the structural boundaries. The quadrupole moment field contribution was smaller but nonnegligible compared to the anisotropic susceptibility contribution. Nonuniform and uniform source distributions can be separately considered by quadrupole expansion, which were mixed together in the dipole model. In the presence of nonuniformity, the susceptibility maps may be different between the two models. For a comprehensive field model, the quadrupole might need to be considered along with susceptibility anisotropy and microstructure effects.
我们模拟了磁场直到四极项,不仅研究了平均磁化率(偶极子),而且研究了磁化率分布(四极子)的贡献。将磁场扩展到第二级提供四极子(第0级:单极子,第1级:偶极子)。数值模拟研究了亚体素非均匀性对四极体的贡献。对传统偶极子模型和偶极子+四极子模型进行了仿真比较。此外,将四极子场与偶极张量模型中的各向异性磁化率场进行了比较。在非均匀性情况下,数值模拟显示了不可忽略的四极场贡献。我们的研究表明,两种方法在边缘的敏感性图上存在差异;幻影和人体研究都显示,偶极子+四极子模型的结构边缘更清晰。四极矩主要在结构边界处表现出对比。与各向异性磁化率的贡献相比,四极矩场的贡献较小,但不可忽略。通过四极展开可以分别考虑非均匀源和均匀源的分布,并在偶极子模型中混合在一起。在存在非均匀性的情况下,两个模型之间的敏感性图可能不同。对于一个综合的现场模型,可能需要考虑四极杆以及磁化率各向异性和微观结构效应。
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引用次数: 0
Dual-Echo Arterial Spin Labeling for Brain Perfusion Quantification and Functional Analysis 双回声动脉自旋标记用于脑灌注定量及功能分析
IF 0.6 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2019-08-01 DOI: 10.1155/2019/5040465
A. Paschoal, F. F. Paiva, R. Leoni
Arterial Spin Labeling (ASL) is a noninvasive MRI-based method to measure cerebral blood flow (CBF). Recently, the study of ASL as a functional tool has emerged once CBF fluctuation comes from capillaries in brain tissue, giving a more spatially specific response when compared to the standard functional MRI method, based on the blood oxygenation level-dependent (BOLD) contrast. Although the BOLD effect could be desirable to study brain function, if one aims to quantify CBF, such effect is considered contamination that can be more attenuated if short TE value is used in the image acquisition. An approach that provides both CBF and function information in a simultaneous acquisition is the use of a dual-echo ASL (DE-ASL) readout. Our purpose was to evaluate the information provided by DE-ASL regarding CBF quantification and functional connectivity with a motor task. Pseudocontinuous ASL of twenty healthy subjects (age: 32.4 ± 10.2 years, 13 male) was acquired at a 3T scanner. We analyzed the influence of TE on CBF values and brain connectivity provided by CBF and concurrent BOLD (cc-BOLD) time series. Brain networks were obtained by the general linear model and independent component analysis. Connectivity matrices were generated using a bivariate correlation (Fisher Z values). No effect of the sequence readout, but significant effect of the TE value, was observed on gray matter CBF values. Motor networks with reduced extension and more connections with important regions for brain integration were observed for CBF data acquired with short TE, proving its higher spatial specificity. Therefore, it was possible to use a dual-echo readout provided by a standard commercial ASL pulse sequence to obtain reliable quantitative CBF values and functional information simultaneously.
动脉自旋标记(ASL)是一种基于核磁共振成像的无创脑血流测量方法。最近,ASL作为一种功能性工具的研究已经出现,一旦CBF波动来自脑组织中的毛细血管,与基于血氧水平依赖(BOLD)对比的标准功能MRI方法相比,ASL给出了更具空间特异性的反应。虽然BOLD效应对于研究脑功能是可取的,但如果目的是量化CBF,则这种效应被认为是污染,如果在图像采集中使用较短的TE值,则可以更好地减弱这种影响。在同时采集中提供CBF和功能信息的一种方法是使用双回波ASL (DE-ASL)读出。我们的目的是评估DE-ASL提供的关于脑血流量化和运动任务功能连接的信息。采用3T扫描获得20例健康受试者(年龄:32.4±10.2岁,男性13例)的假性连续ASL。我们分析了TE对CBF和并发BOLD (cc-BOLD)时间序列提供的CBF值和脑连通性的影响。通过一般线性模型和独立分量分析得到脑网络。使用双变量相关性(Fisher Z值)生成连通性矩阵。序列读数对脑灰质CBF值没有影响,但TE值对脑灰质CBF值有显著影响。在短TE采集的CBF数据中,运动网络的延伸减少,与脑整合重要区域的连接增加,证明了其更高的空间特异性。因此,可以使用标准商用ASL脉冲序列提供的双回波读出器同时获得可靠的定量CBF值和功能信息。
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引用次数: 1
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Concepts in Magnetic Resonance Part A
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