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Determination of the Chemical-Shift Difference between the Lactate Multiplets and Its pH Dependence 乳酸多胞胎化学位移差的测定及其对pH值的依赖性
Pub Date : 1996-09-01 DOI: 10.1006/jmrb.1996.0136
Michael Bunse , Wulf-Ingo Jung , Günther Dietze , Otto Lutz

A volume-selective NMR method is presented for very exact determination of the difference of the Larmor frequencies between the coupled resonances of homonuclear AX3spin systems, as, for example, lactate. The frequency difference can be determined with an accuracy of 0.003 ppm even if only the doublet of the spin system can be detected. The method is based on the effects of homonuclear polarization transfer which occurs in localized double-spin-echo spectroscopy. It is used for determination of the chemical-shift difference of the lactate multiplets, which depends on the degree of dissociation and consequently on pH. Measurements were performed with a 1.5 T Siemens Magnetom SP 63 whole-body imager on solutions of lactate and acetic acid in physiological sodium chloride solution with pH from 1 to 11. As a consequence of these measurements, conclusions are possible for the optimum echo time for PRESS measurements which avoid signal losses from polarization transfer. Furthermore, the possibility of localized pH determination by this effect is discussed.

提出了一种体积选择性核磁共振方法,用于非常精确地测定同核ax3自旋系统耦合共振之间的拉莫尔频率差异,例如乳酸盐。即使只能检测到自旋系统的双重态,也可以以0.003 ppm的精度确定频率差。该方法是基于局域双自旋回波光谱中发生的同核极化转移效应。它用于测定乳酸多态的化学位移差,这取决于解离程度,因此取决于pH。测量使用1.5 T西门子Magnetom SP 63全身成像仪对生理氯化钠溶液中的乳酸和乙酸溶液进行测量,pH从1到11。作为这些测量的结果,可以得出压敏测量的最佳回波时间,从而避免极化传输造成的信号损失。进一步讨论了利用该效应局部测定pH值的可能性。
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引用次数: 3
Measuring Diffusion in the Presence of Material Strain 材料应变存在下的扩散测量
Pub Date : 1996-09-01 DOI: 10.1006/jmrb.1996.0139
Timothy G. Reese, Van J. Wedeen, Robert M. Weisskoff

Material strain during the course of diffusion encoding by MRI will in general change the observed diffusional signal losses. These changes will occur even when the material returns cyclically to its initial location during the diffusion-evolution period. This effect derives from the modification of the local spatial modulation k of spin phase within a sample by a material deformation fontserif=cmss10 at 10pt[formula]as k →[formula]k, resulting in an observed diffusion tensor[formula]where[formula]is the material stretch tensor. For example, when a material is compressed during pulsed-gradient diffusion encoding, the compression acts to increase the attenuation due to diffusion just as if a larger gradient were used. By using a simple gelatin phantom, the existence of this effect is demonstrated, and an effective method for its correction based on an MRI mapping of the material strain is presented. This correction is particularly relevant for inferring myofiber structure in the beatingin vivohuman heart, since the measurement of[formula]is perturbed by the deformation of myocardium during the heart's contraction.

MRI扩散编码过程中的材料应变通常会改变观测到的扩散信号损耗。即使材料在扩散演化期间周期性地返回到其初始位置,这些变化也会发生。这种效应来源于材料变形fontserif=cmss10在10pt[公式]处将样品内自旋相的局部空间调制k修改为k→[公式]k,从而得到观测到的扩散张量[公式],其中[公式]为材料拉伸张量。例如,当在脉冲梯度扩散编码期间压缩材料时,压缩的作用是增加扩散引起的衰减,就像使用了更大的梯度一样。通过使用一个简单的明胶幻影,证明了这种效应的存在,并提出了一种基于材料应变的MRI映射的有效校正方法。由于[式]的测量会受到心脏收缩过程中心肌变形的干扰,因此这一修正对于推断人体内心脏搏动中的肌纤维结构尤为重要。
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引用次数: 73
Measurement of Amide15N–1H One-Bond Couplings in Proteins Using Accordion Heteronuclear-Shift-Correlation Experiments 用手风琴异核位移相关实验测量蛋白质中酰胺15n - 1h单键偶联
Pub Date : 1996-09-01 DOI: 10.1006/jmrb.1996.0141
J.R. Tolman, J.H. Prestegard
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引用次数: 48
Optimization of Transverse Gradient Coils with Coaxial Return Paths by Simulated Annealing 用模拟退火法优化具有同轴返回路径的横向梯度线圈
Pub Date : 1996-09-01 DOI: 10.1006/jmrb.1996.0133
M.L. Buszko , M.F. Kempka , E. Szczesniak , D.C. Wang , E.R. Andrew

Coils with coaxial return paths are used to generate transverse magnetic field gradients. This paper describes optimization of such coils by the method of simulated annealing, a method known to be able to find the global minimum of a function. The adaptive simulated annealing (ASA) program has been analyzed and applied to optimization of a family of coils with 8–16 building blocks, each carrying equal current. Positions of the blocks along the longitudinal axis of the coils were optimized. A new subclass of coils is proposed; the diameter of return paths of this subclass of coils is not fixed but may be varied. The new coils provide greater gradient uniformity than those for which only positions of the blocks are optimized. All optimized coils should find applications in high-precision and high-resolution imaging and spectroscopic experiments.

带同轴返回路径的线圈用于产生横向磁场梯度。本文描述了用模拟退火的方法来优化这类线圈,这种方法已知能够找到函数的全局最小值。分析了自适应模拟退火(ASA)程序,并将其应用于具有8-16个单元的线圈族的优化,每个单元携带等电流。优化了沿线圈纵轴的块位置。提出了一种新的线圈子类;这类线圈的回路直径不是固定的,可以改变。新线圈比那些只优化了块的位置的线圈提供了更大的梯度均匀性。所有优化的线圈都应该在高精度和高分辨率的成像和光谱实验中找到应用。
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引用次数: 16
Chemical-Shift-Selective Acquisition of Multiple-Quantum-Filtered23Na Signal 多量子滤波23na信号的化学位移选择性采集
Pub Date : 1996-09-01 DOI: 10.1006/jmrb.1996.0134
K.J. Jung , J. Katz

Equations describing the multiple-quantum (MQ) signal produced by an MQ pulse sequence are systematically derived in both absence and presence of refocusing RF pulses. When the RF pulses in an MQ pulse sequence satisfy certain conditions, these equations may be arranged in a factorized form. The off-resonance effects on the MQ signal due to chemical shift can then be analyzed separately during the preparation and evolution times. Using the reformulated equations, the dependence of the amplitude of an MQ signal on the phase shift induced by the resonance offset during the preparation and evolution times is demonstrated. By use of the new equations, it is shown that the off-resonance effects, occurring during both the preparation and evolution times, may be described in terms of the same physical process, i.e., interference between echo and antiecho. In applying the off-resonance effects for the elimination of the MQ signal in the presence of chemical shift, it is possible to suppress the MQ signal over a wider off-resonance bandwidth by use of the nonrefocused preparation and evolution times than by use of a single time. Furthermore, by taking an alternative approach in deriving the equations, the interference between echo and antiecho due to the resonance offset is shown to be insensitive to the flip angle of the creation RF pulse (usually the second π/2 RF pulse). The theoretical findings were experimentally verified by use of a phantom containing sodium in agarose.

系统地推导了在无重聚焦射频脉冲和有重聚焦射频脉冲两种情况下由多量子脉冲序列产生的多量子信号的方程。当MQ脉冲序列中的射频脉冲满足一定条件时,这些方程可以被分解成因式。由于化学位移对MQ信号的非共振效应可以在准备和演化期间分别进行分析。利用重新表述的方程,证明了MQ信号的振幅在制备和演化过程中与共振偏移引起的相移的关系。利用新方程表明,在制备和演化过程中发生的非共振效应可以用相同的物理过程来描述,即回波和反回波之间的干扰。在应用非共振效应来消除存在化学位移的MQ信号时,通过使用非重新聚焦的准备和演化时间,可以在更宽的非共振带宽上抑制MQ信号,而不是使用单一时间。此外,通过采用另一种方法推导方程,由于共振偏移引起的回波和反回波之间的干扰对创建RF脉冲(通常是第二个π/2 RF脉冲)的翻转角度不敏感。用琼脂糖中含钠的幻体对理论结果进行了实验验证。
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引用次数: 6
Interaction of Daunomycin with Dipalmitoylphosphatidylcholine Model Membranes. A1H NMR Study 道诺霉素与双棕榈酰磷脂酰胆碱模型膜的相互作用。核磁共振研究
Pub Date : 1996-09-01 DOI: 10.1006/jmrb.1996.0135
Luigi Calzolai, Elena Gaggelli, Antonella Maccotta, Gianni Valensin

1H NMR parameters were obtained for daunomycin in water solution in the free state as well as in the presence of dipalmitoylphosphatidylcholine model membranes. Spin–lattice relaxation rates were measured under nonselective, single-selective, and double-selective irradiation modes, and 2D NOESY spectra were obtained at several values of the mixing time. Proton–proton distances were calculated and the motional correlation time was evaluated in both the free and bound states. NMR parameters were used to show that ring A and the glucosamine moiety of daunomycin strongly interact with the external surface of the bilayer, while the rest of the molecule penetrates the membrane without crossing it. The structures of both free and bound daunomycin were obtained and compared by using molecular modeling.

在水溶液中以及在双棕榈酰磷脂酰胆碱模型膜存在下,获得了道诺霉素的1H NMR参数。测量了非选择、单选择和双选择辐照模式下的自旋-晶格弛豫速率,并获得了不同混合时间下的二维NOESY光谱。计算了质子之间的距离,并计算了自由和束缚状态下的运动相关时间。核磁共振参数表明,A环和道诺霉素的氨基葡萄糖部分与双分子层的外表面强烈相互作用,而分子的其余部分穿透膜而不穿过膜。利用分子模型对游离和结合的道诺霉素的结构进行了比较。
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引用次数: 9
Phase-Sensitive Two-Dimensional Heteronuclear Zero- and Double-Quantum-Coherence Spectroscopy 相敏二维异核零和双量子相干光谱学
Pub Date : 1996-09-01 DOI: 10.1006/jmrb.1996.0137
Jüri Jarvet , Peter Allard

New pulse sequences for two-dimensional phase-sensitive detection of heteronuclear zero- and double-quantum coherence are presented for use with and without pulsed field gradients. The magnetization is phase modulated duringt1and then transferred to a proton for detection using a novel approach similar to the sensitivity-enhancement technique [Palmeret al. J. Magn. Reson.93, 151 (1991)]. These pulse sequences are useful for the measurement of size and relative sign of passiveJcouplings as well as for the measurement of the relaxation rates of zero- and double-quantum coherence. They can also be used as building blocks in multidimensional pulse sequences. The pulse sequences are tested on the peptide hormone motilin with a selectively13C-enriched α carbon.

新的脉冲序列用于二维相敏检测异核零量子和双量子相干,用于有和没有脉冲场梯度。在此过程中,磁化是相位调制的,然后用一种类似于灵敏度增强技术的新方法转移到质子上进行检测[Palmeret al. J. Magn.]。[j].科学通报,2004,(3)。这些脉冲序列可用于测量无源耦合的大小和相对符号,也可用于测量零量子相干和双量子相干的弛豫速率。它们也可以用作多维脉冲序列的构建块。脉冲序列用选择性富集13c的α碳在肽激素胃动素上进行测试。
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引用次数: 10
Author Index for Volume 112 第112卷作者索引
Pub Date : 1996-09-01 DOI: 10.1006/jmrb.1996.0147
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引用次数: 0
CW and Pulsed EPR Characterization of the Reduction of the Rieske-Type Iron–Sulfur Cluster in 2,4,5-Trichlorophenoxyacetate Monooxygenase 2,4,5-三氯苯氧乙酸单加氧酶还原rieske型铁-硫簇的连续波和脉冲EPR表征
Pub Date : 1996-09-01 DOI: 10.1006/jmrb.1996.0144
Sergei A. Dikanov , Roman M. Davydov , Luying Xun , Michael K. Bowman
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引用次数: 7
Magnetic Resonance Imaging for the Determination of Magnetic Susceptibility of Materials 磁共振成像测定材料磁化率
Pub Date : 1996-08-01 DOI: 10.1006/jmrb.1996.0120
O. Beuf , A. Briguet , M. Lissac , R. Davis

A magnetic resonance imaging method for volume magnetic susceptibility estimate of materials immersed in a liquid containing resonant nuclei is proposed. The method uses either the standard spin-echo Fourier imaging technique or the projection-reconstruction technique. Image distortions of cylindrical macroscopic susceptibility inhomomogeneities are analyzed and a correlation is established between the susceptibility value and the size of image deformation along the read gradient. For measurements, the susceptibility of the liquid surrounding the sample (here deionized water) serves as a reference, and characteristic distances between particular points, usually highlights in the distorted image, are related to the susceptibility difference between the two media. Different samples, mainly prosthetic materials with a large susceptibility range from 5 to 200 ppm in absolute value, have been investigated, and the accuracy of susceptibility determination is discussed.

提出了一种浸在含共振核液体中的材料体积磁化率的磁共振成像估计方法。该方法采用标准的自旋回波傅立叶成像技术或投影重建技术。分析了圆柱形宏观磁化率非均匀性的图像畸变,建立了磁化率值与图像沿读取梯度变形大小的相关性。在测量中,样品周围液体(这里是去离子水)的磁化率作为参考,特定点之间的特征距离(通常在扭曲图像中突出显示)与两种介质之间的磁化率差异有关。研究了不同样品,主要是在5 ~ 200ppm的绝对敏感性范围内的假体材料,并讨论了敏感性测定的准确性。
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引用次数: 65
期刊
Journal of Magnetic Resonance, Series B
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