Fast detection of choline-containing metabolites in liver using 2D ¹H-¹⁴N three-bond correlation (HN3BC) spectroscopy

Detection and quantification of total choline-containing metabolites (CCMs) in tissues by magnetic resonance spectroscopy (MRS) has received considerable attention as a biomarker of cancer. Tissue CCMs are mainly choline (Cho), phosphocholine (PCho), and glycerophosphocholine (GPCho). Because the methyl (1)H resonances of tissue CCMs exhibit small chemical shift differences and overlap significantly in 1D (1)H MRS, quantification of individual components is precluded. Development of a MRS method capably of resolving individual components of tissue CCMs would be a significant advance. Herein, a modification of the 2D (1)H-(14)N HSQC technique is targeted on the two methylene (1)H in the CH(2)O group ((3)J(1H14N)=2.7 Hz) and applied to ex vivo mouse and human liver samples at physiological temperature (37°C). Specifically, the (1)H-(14)N HSQC technique is modified into a 2D (1)H-(14)N three-bond correlation (HN3BC) experiment, which selectively detects the (1)H of CH(2)O coupled to (14)N in CCMs. Separate signals from Cho, PCho, and GPCho components are resolved with high detection sensitivity. A 2D HN3BC spectrum can be recorded from mouse liver in only 1.5 min and from human carcinoma liver tissue in less than 3 min with effective sample volume of 0.2 ml at 14.1T.     

Short echo time in vivo prostate ¹H-MRSI

Visualization of short echo time (TE) metabolites in prostate magnetic resonance spectroscopic imaging is difficult due to lipid contamination and pulse timing constraints. In this work, we present a modified pulse sequence to permit short echo time (TE=40ms) acquisitions with reduced lipid contamination for the detection of short TE metabolites. The modified pulse sequence employs the conformal voxel MRS (CV-MRS) technique, which automatically optimizes the placement of spatial saturation planes to adapt the excitation volume to the shape of the prostate, thus reducing lipid contamination in prostate magnetic resonance spectroscopic imaging (MRSI). Metabolites were measured and assessed using a modified version of LCModel for analysis of in vivo prostate spectra. We demonstrate the feasibility of acquiring high quality spectra at short TEs, and show the measurement of short TE metabolites, myo-inositol, scyllo-inositol, taurine and glutamine/glutamate for both single and multi-voxel acquisitions. In single voxels experiments, the reduction in TE resulted in 57% improvement in the signal-to-noise ratio (SNR). Additional 3D MRSI experiments comparing short (TE=40 ms), and long (TE=130 ms) TE acquisitions revealed a 35% improvement in the number of adequately fitted metabolite peaks (775 voxels over all subjects). This resulted in a 42 ± 24% relative improvement in the number of voxels with detectable citrate that were well-fitted using LCmodel. In this study, we demonstrate that high quality prostate spectra can be obtained by reducing the TE to 40 ms to detect short T2 metabolites, while maintaining positive signal intensity of the spin-coupled citrate multiplet and managing lipid suppression.     

Fast measurements of average flow velocity by Low-Field ¹H NMR

In this paper, we describe a method for measuring the average flow velocity of a sample by means of Nuclear Magnetic Resonance. This method is based on the Carr-Purcell-Meiboom-Gill (CPMG) sequence and does not require the application of any additional static or pulsed magnetic field gradients to the background magnetic field. The technique is based on analyzing the early-time behavior of the echo amplitudes of the CPMG sequence. Measurements of average flow velocity of water are presented. The experimental results show a linear relationship between the slope/y-intercept ratio of a linear fit of the first echoes in the CPMG sequence, and the average flow velocity of the flowing fluid. The proposed method can be implemented in low-cost Low-Field NMR spectrometers allowing a continuous monitoring of the average velocity of a fluid in almost real-time, even if the flow velocity changes rapidly.     

Anterior cingulate and cerebellar GABA and Glu correlations measured by ¹H J-difference spectroscopy

Gamma-aminobutyric acid (GABA) and glutamate (Glu) levels, normalized to total creatine (tCr), were measured in the anterior cingulate and cerebellar vermis in healthy adults (n=19, age=24.6±6.4 years) using ¹H MRS at 3 T, and metabolite correlations across regions and subjects were determined. Mean anterior cingulate and cerebellar GABA/tCr ratios were 0.31 (0.08) and 0.23 (0.06), respectively, while corresponding Glu levels were 1.16 (0.10) and 0.70 (0.07), respectively. Anterior cingulate and cerebellar glutamate levels were correlated (r=0.6103, P=.0140), although it is noted that when adjusted for multiple comparisons, all correlations reported here cluster to a P value of .0583. It is unlikely that this correlation is driven by correlations in tCr, since interregional correlations were not observed for other metabolites referenced to tCr. Correlations were also observed among metabolites in both the anterior cingulate and cerebellar vermis. In the former, N-acetylasparate was linearly dependent on glutamate (r=0.6577, P=.0063) and, at or below this significance threshold, four metabolites were correlated in the cerebellar vermis (Ins/tCh: r=0.6261, P=.0109. NAA/tCh: r=0.6426, P=.0082. NAA/Glu: r=0.6412, P=.0085. tCh/Glu: r=0.6193, P=0.0122).     

函数的H-导数和分形动力学

 给出了函数的Hausdorff测度与H-导数。从而，为开展自给的分形动力学提供了解析的数学工具。同时，给出了分形动力学的演化方程组并做了初步讨论与分析。     

Rapid solid-state NMR of deuterated proteins by interleaved cross-polarization from ¹H and ²H nuclei

We present a novel sampling strategy, interleaving acquisition of multiple NMR spectra by exploiting initial polarization subsequently from (1)H and (2)H spins, taking advantage of their different T(1) relaxation times. Different (1)H- and (2)H-polarization based spectra are in this way simultaneously recorded improving either information content or sensitivity by adding spectra. The so-called Relaxation-optimized Acquisition of Proton Interleaved with Deuterium (RAPID) (1)H→(13)C/(2)H→(13)C CP/MAS multiple-acquisition method is demonstrated by 1D and 2D experiments using a uniformly (2)H, (15)N,(13)C-labeled α-spectrin SH3 domain sample with all or 30% back-exchanged labile (2)H to (1)H. It is demonstrated how 1D (13)C CP/MAS or 2D (13)C-(13)C correlation spectra initialized with polarization from either (1)H or (2)H may be recorded simultaneously with flexibility to be added or used individually for spectral editing. It is also shown how 2D (13)C-(13)C correlation spectra may be recorded interleaved with (2)H-(13)C correlation spectra to obtain (13)C-(13)C correlations along with information about dynamics from (2)H sideband patterns.     

H-在矩形腔中的光剥离截面

根据半经典闭合轨道理论研究了矩形腔对氢负离子的光剥离进程的影响,利用反射定律分析矩形腔中与光剥离截面相联系的剥离电子运动的闭合轨道,推导出该体系下的光剥离截面公式,在线性极化光的作用下,研究了腔的尺寸对光剥离截面的影响,并将其与麻志君等用量子力学方法研究的结果进行对比.结果表明:矩形腔的存在及其大小对光剥离截面中由闭合轨道相联系的返回波与波源函数发生干涉引起的振荡有很大影响,且振荡曲线随着矩形腔的尺寸变化明显;当激光极化方向沿着x轴或者y轴时,半经典方法与量子力学方法的结果一致,当激光极化方向沿着Z轴时,由于矩形腔在z轴上对光剥离截面不作用,采用半经典方法光剥离截面与无场的情况相同,但是采用量子力学方法,其结果中却出现振荡,表明半经典方法研究此体系结果更准确.研究结果可对研究负离子光剥离以及外腔中的电子输运问题提供参考.     

强外场中H-光剥离截面的分析

给出了H-在任意夹角的强电场和磁场中光剥离截面的量子解约化到闭合轨道解的形式,并将其计算结果与量子解的结果进行了比较.     

H-22细胞声孔效应的应力阈值

理论和实验研究了超声空化场中的H-22型肝癌细胞产生可逆声孔效应的剪应力阈值.本文用1.37 MHz的聚焦声场,当超顺磁性纳米氧化铁在细胞悬液中的终浓度为410 μg/mL,换能器负载电功率为2 W,超声辐照60 s,细胞存活率90%以上时,有45.9±13.5%的细胞显示普鲁士蓝染阳性,暗示超声作用下,这些细胞表面曾出现可逆性微孔而使磁性微粒由此进入细胞内.利用无界自由空间微泡运动方程的球对称稳态解对实验条件下细胞膜表面的切变应力进行数值估算,结果表明,使H-22细胞产生可逆性声孔效应的微流剪应力阈值为697 Pa. 关键词： 声孔效应 磁性标记 微流 剪应力     

周期排列的H-空气槽光学特性研究

利用电子束直写系统和反应离子束刻蚀的方法制作了周期性排列H-形空气槽.样品的参量:金膜的厚度为120nm,石英基底的厚度0.8mm(其中有5nm厚的铬层),样品是由30×30个单个H-形周期排列形成的,总体尺寸为40×40μm2.每个H-形之间的周期为1.1μm,H-形的臂长均为500nm,空气槽的宽度为120nm.然后用实验的方法测量了在近红外波段的透过曲线,在近红外波段1.6μm处的透过率约为16.3%,用传输矩阵的方法对H-形空气槽结构进行了理论模拟,实验与理论模拟结果吻合较好.随后研究了当入射光的偏振方向与H-形结构的长轴之间的夹角分别为0°、30°、45°、60°和90°时透过曲线的变化情况.通过实验和理论表明,表面等离子体在这种特殊的结构中仍然存在,并且在光的增强透过起着决定性的作用.     

周期排列的H-空气槽光学特性研究

利用电子束直写系统和反应离子束刻蚀的方法制作了周期性排列H-形空气槽.样品的参量：金膜的厚度为120 nm,石英基底的厚度0.8 mm（其中有5 nm厚的铬层）,样品是由30×30个单个H-形周期排列形成的,总体尺寸为40×40 μm2.每个H-形之间的周期为1.1 μm,H-形的臂长均为500 nm,空气槽的宽度为120 nm.然后用实验的方法测量了在近红外波段的透过曲线,在近红外波段1.6 μm处的透过率约为16.3%,用传输矩阵的方法对H-形空气槽结构进行了理论模拟,实验与理论模拟结果吻合较好.随后研究了当入射光的偏振方向与H-形结构的长轴之间的夹角分别为0°、30°、45°、60°和90°时透过曲线的变化情况.通过实验和理论表明,表面等离子体在这种特殊的结构中仍然存在,并且在光的增强透过起着决定性的作用.     

Photo-detachment cross section of H- near two parallel interfaces

The photo-detachment cross section of H^- near two parallel elastic interfaces is derived and calculated by using the closed orbit theory. The photo-detachment cross section of H^- near two interfaces is shown to exhibit multi-periodic oscillations when the distance between the H^- and the interface is varied. Each peak in the Fourier transformed photo-detachment cross section corresponds to the length of a closed orbit, which is quite similar to the case of atomic spontaneous emissions in a dielectric slab. This study provides a new understanding of the photo=detachment process of H^- in the presence of interfaces.     

定义在分形集上函数的H-导数

 分形的生成含有降维与升维两种形式,采用适当的方式总可以对分形集加以定向化,分形的内禀测度是Hausdorff测度。因此,定义在分形集上的函数可以看作是在Hausdorff测度下定义在区间[0, h]。在函数图像也是分形的前提下,依函数的Hausdorff测度的定义,给出了定义在分形集上的函数f(p)关于Hausdorff测度p的导数以及一些性质。     

高频强激光场中H-电离特性理论研究

高频强激光场中高价负离子（比如H-,H2-,He-,He2-等等）的稳定存在虽然在理论上早已得到得到证明,但在实验上至今没有被直接验证。为了探索可行的实验验证方案,通过以高频强场中的负一价氢离子H-为例,采用相空间平均法,详细研究了其在外加激光场中的电离率及光电子角分布情况。研究发现 的电离率比氢原子高,并且不存在氢原子在较强激光场中的电离抑制现象。另外随着激光场强度的增大和激光频率的减小,电子角分布与H-在高频场直接卸载后电子角分布的差别也增大。这些结果为将来在实验上验证高频强场中高价负离子的存在性提供了很好的理论依据。     

基于H-法高温超导轴承悬浮特性的数值仿真研究

当高温超导体处于超导态,永磁体的部分磁力线进入到超导体内,由于磁通钉扎的作用,永磁体无需控制而稳定悬浮,这种悬浮具有无源自稳定的优良特性,利用这种特性的高温超导轴承应运而生.本文通过数值仿真的方法研究高温超导轴承的悬浮特性,建立了基于H-法的有限元模型,采用幂指数函数表示超导体的E-J特性.通过实验数据与仿真数据的对比验证了模型的正确性,讨论了误差产生的原因.数值仿真形象地显示了超导定子在永磁转子轴向运动过程中的电磁行为.     

组合脉冲宽带激发2H-平均哈密顿理论计算研究

四级核回波实验通常需要射频脉冲能够激发谱宽超过100 kHz 的信号．在最近的研究中,作者发现组合脉冲COM-II (9018090135 45) 能够在氘核的四级核回波实验中实现宽带激发．此外,作者还结合了八步相位循环的方法,有效消除了由有限脉宽效应造成的谱图扭曲现象．利用了平均哈密顿原理,对该方法进行了理论计算研究．作者采用了自旋为1 的矩阵算符,通过计算解释了八步相位循环能够消除谱图扭曲的原因．     

2H-氮杂卓衍生物迁移反应的光谱学特征

氮杂卓化合物存在1H-,2H-,3H-和4H-共4个互变异构体,其中,2H-,3H-系统是最重要的。2H-氮杂卓母体化合物很不稳定,4位存在叔-丁基,并且环上含有丙硫基(PrS-)取代基的2H-氮杂卓,不仅发生H迁移,也能发生PrS-迁移,向较稳定的3H-氮杂卓异构化。以2,7-二甲氧基-4-甲基-2H-氮杂卓为原料,通过与Pr-SH的取代反应,合成7-甲氧基-4-甲基-2-PrS-2H-氮杂卓,并讨论分析产物的 迁移反应。通过IR、¹H NMR、¹³C NMR、MS检测表明,在室温条件下,4位存在甲基的2H-氮杂卓衍生物,选择性地发生 PrS-迁移,生成3H-氮杂卓,而且此异构化反应速度比叔-丁基存在时的情况更快。     

间接测量1H-13CT1和T2的方法

本文提出了间接测量¹H-¹³CT₁和T₂的新方法,这些方法能用于测量¹H谱不能很好分辨的分子。并对直接测量和间接测量结果进行分析比较。     

平行电磁场中H-光剥离电子轨道分岔现象的研究

当改变能量、位置或场强等参数时,电磁场中里德堡态的原子、分子和离子等体系将出现分岔现象,从而导致波函数在分岔点附近发散,半经典闭合轨道理论不再适用.本文分析并计算了平行电磁场中H-光剥离电子轨道的分岔现象,并采用统一近似的方法进行定域修正,从而消除了分岔点的奇异性,得到了合理的光剥离电子流的分布.     

Photodetachment of H- near Elastic Surface in Parallel Electric and Magnetic Fields

The photodetachment cross section of H^- in parallel electric and magnetic fields near an elastic surface is derived and calculated by using the closed orbit theory. It is found that the elastic surface can produce some interesting effects. Besides the closed orbits previously found by Peters et al. for the H^- in parallel electric and magnetic fields, some additional closed orbits are produced due to the effect of the elastic surface. The results show that the cross section oscillation is much more complicated in comparison with the cross section of H^- in parallel external fields without surface. Each peak in the Fourier transformed cross section corresponds to the period of one detached electron closed orbit. This study provides a new understanding of the photodetachment of negative ions in the presence of external fields and surface.