NMR碳谱谱峰检索系统

介绍了核磁共振(NMR)碳谱谱峰检索系统的程序设计原理、系统流程框图、检索比较算法和主要显示界面．系统数据库包含化合物核磁共振碳谱4万多张,能够根据未知物¹³C NMR波谱的谱峰个数及其化学位移值进行检索．结果得到未知化合物的有关信息及其标准波谱图．系统还允许用户将本专业的一些常用化合物的标准谱的信息以及图谱添加进数据库以供日后查询．     

靶材料面密度用β射线测量的定标问题

 惯性约束聚变靶材料面密度及其均匀性分布可以通过β射线束透射法进行测量,要完成这一测量,需首先用一系列面密度已知、组成成分与待测材料相同的标准材料对测量装置进行刻度。针对惯性约束聚变靶材料一类还处于研制阶段的新材料的密度测量,提出了用成分相近的材料作为替代标准进行刻度的方法,并用蒙特卡罗方法模拟计算了不同能量电子穿过不同材料的透射率,得到了这种刻度方法对测量结果带来的误差大小,用纸作标准测量CH泡沫靶材料的误差只有百分之几,这一误差在实际测量中可以由蒙特卡罗模拟方法得到修正。该刻度方法解决了惯性约束聚变靶材料一类新材料面密度用β透射法测量中的定标问题。     

Monitoring the formation of oil–water emulsions with a fast spatially resolved NMR spectroscopy method

In the present study, a fast chemical shift imaging(CSI) method has been used to dynamically monitor the formation of oil–water emulsions and the phase separation process of the emulsion phase from the excessive water or oil phase on the molecular level. With signals sampled from series of small voxels simultaneously within a few seconds, high-resolution one-dimensional(1D) ~1H nuclear magnetic resonance(NMR) spectra from different spatial positions for inhomogeneous emulsion systems induced by susceptibility differences among components can be obtained independently. On the basis of integrals from these ~1H NMR spectra, profiles obtained explicitly demonstrate the spatial and temporal variations of oil concentrations. Furthermore, the phase separation time and the length of the oil–water emulsion phase are determined. In addition, effects of oil types and proportions of the emulsifier on the emulsification states are also inspected. Experimental results indicate that 1D PHASICS(Partial Homogeneity Assisted Inhomogeneity Correction Spectroscopy) provides a helpful and promising alternative to research on dynamic processes or chemical reactions.     

Investigation of Kinematics of the Portevin-Le Chatelier Deformation Bands with Dynamic Digital Speckle Pattern Interferometry

The Portevin-Le Chatelier (PLC) effect with typical temporal instabilities in the recorded stress is closely associated with local inhomogeneities of deformation. By employing the dynamic digital speckle pattern interferometry technology, the characterizations for the PLC deformation bands of type A (continuous propagation along the specimen), type B (“hopping“ propagation along the specimen) and type C (random nucleation in the sample) were distinctly clarified. The corresponding positions of deformation bands were traced throughout the whole tensile process. By systemic experiments, the range of the applied strain rates for each type of bands existing was investigated respectively. The evolution of the band velocity (for types A and B) was also statistically investigated and qualitatively interpreted.     

相空间中脑电近似熵和信息熵的计算

提出一种基于相空间重构脑电信号来计算脑电近似熵和信息熵的新方法．实验计算结果表明,癫痫患者脑电和正常人脑电的近似熵和信息熵随相空间嵌入维数的变化有明显的不同．     

一种基于时空变换和压缩感知的磁共振螺旋采样的图像重建算法

螺旋采样磁共振快速成像在功能性成像、并行成像和动态成像等领域发挥着越来越重要的作用.螺旋采样图像重建的传统算法是用核函数将螺旋状分布的k空间数据插值到均匀网格中,再利用傅里叶变换和最小二乘法进行重建.但是基于网格化的算法对核函数过于依赖,在网格化过程中产生难以避免的误差.该文提出了基于时空变换和压缩感知的l1范数的最优化模型和重建算法.时空变换矩阵描述了空间上的磁共振图像与采集到的时域信号间的关系,使得算法直接使用采集到的数据作为保真约束项,避免了网格化过程产生的误差.此外,基于图像处理单元的并行计算被用来提高时空变换矩阵的运算速度,使得算法具有较强的应用价值.     

Observation of intermolecular double-quantum coherence signal dips in nuclear magnetic resonance

The correlated spectroscopy revamped by asymmetric Z-gradient echo detection (CRAZED) sequence is modified to investigate intermolecular double-quantum coherence nuclear magnetic resonance signal dips in highly polarized spin systems. It is found that the occurrence of intermolecular double-quantum coherence signal dips is related to sample geometry, field inhomogeneity and dipolar correlation distance. If the field inhomogeneity is refocused, the signal dip occurs at a fixed position whenever the dipolar correlation distance approaches the sample dimension. However, the position is shifted when the field inhomogeneity exists. Experiments and simulations are performed to validate our theoretic analysis. These signal features may offer a unique way to investigate porous structures and may find applications in biomedicine and material science.     

Apparent diffusion behaviour of intermolecular double-quantum coherence modulated by a distant dipolar field in solution NMR

A modified correlated spectroscopy (COSY) revamped with asymmetric Z-gradient echo detection sequence was designed to investigate the influence of diffusion behaviour on intermolecular double-quantum coherence signal attenuation during the pre-acquisition period. Theoretical formulas were deduced and experimental measurements and simulations were performed. It is found that the diffusion behaviour of intermolecular double-quantum coherence in the pre-acquisition period may be different from that of conventional single-quantum coherence, depending on the relative orientation of diffusion weighting gradients to coherence selection gradients. When the orientation of the diffusion weighting gradients is parallel or anti-parallel to the orientation of the coherence selection gradients, the diffusion is modulated by the distant dipolar field. This study is helpful for understanding the signal properties in intermolecular double-quantum coherence magnetic resonance imaging.     

高分辨率核磁共振纯化学位移谱新方法及其应用

核磁共振（Nuclear Magnetic Resonance,NMR）以无辐射、非入侵、高分辨率及信息丰富等特点被广泛应用在化学、生物、医药、材料等领域.纯化学位移技术,因其能大幅提高NMR重叠谱图分辨率的优良特性,近年来逐渐成为NMR领域的研究热点.本文结合作者所在团队在纯化学位移新技术及其应用研究的基础上,评述了纯化学位移技术的发展现状,及其机遇与挑战.     

1.5 T磁共振化学交换饱和转移成像的影响因素分析

本文探讨1.5 T磁共振化学交换饱和转移（Chemical Exchange Saturation Transfer,CEST）成像的影响因素.通过试管模型和临床病例,采用GE Signa HDe 1.5 T磁共振成像（Magnetic Resonance Imaging,MRI）扫描仪分别进行不同矩阵、激励次数、翻转角、磁化传递翻转角的CEST成像对比分析,以及不同激励次数、磁化传递翻转角的Z谱分析,并从成像组织、成像设备、成像技术等方面对原始图信号、酰胺质子转移（Amide Proton Transfer,APT）信号及Z谱进行分析研究.实验结果表明1.5 T MRI扫描仪的CEST图像信噪比相对较低,且磁场稳定性及均匀度影响了CEST成像的效果.在其他参数不变的情况下,降低采集矩阵和增加激励次数与翻转角可以增加原始图像信噪比.磁化传递翻转角为105°时,CEST成像效果最好.激励次数为2、磁化传递翻转角为105°时,所得数据符合组织Z谱情况.模型Z谱在磁化传递频率为-294~-194 Hz范围可显示30%谷氨酸（Glu）、碘剂（I₃₂₀）、纯水（H₂O）、肌酸（Cr）的信号差异,与H₂O差异最大处在-244~-214 Hz.原始图像信号30% I₃₂₀明显高于Glu、H₂O、Cr,Cr略低于Glu,APT图Cr略低于Glu.25例脑肿瘤的APT图呈高信号、12例脑梗塞的APT图呈低信号,CEST原始图像均可区分病变区域.有12例因采集时间、患者配合情况、环境及室温等影响导致CEST成像的失败.由此得出1.5 T场强下,CEST技术受到成像组织、设备、技术等因素的影响,需要进行多方面优化.在保证磁场稳定性及均匀度的情况下,优化参数的CEST成像和Z谱成像可以区分代谢物及其浓度.