组蛋白F1、F2b的核磁共振波谱学-光谱学研究

本文研究了组蛋白、组蛋白F₁和组蛋白F_2b的高分辨核磁共振波谱学和紫外、红外光谱学特征。研究表明,组蛋白、组蛋白F₁和组蛋白F_2b三者之间的波谱和光谱存在着显著的差异。     

水/甲醇混合溶剂中PNIPAAM相变行为的NMR研究

通过液体核磁共振（NMR）谱以及动力学参数测量研究了聚N-异丙基丙烯酰胺（PNIPAAM）在水和甲醇的混合溶液中的相变行为. 通过PNIPAAM在水和甲醇混合溶剂中¹H核磁共振谱、纵向弛豫时间T₁、横向弛豫时间T₂和自扩散系数D随甲醇含量的变化发现,大分子在发生相变时,在¹H核磁共振谱中伴随有宽峰的出现和消失,同时弛豫时间和自扩散系数均有显著变化. 实验结果表明,¹H NMR谱图以及弛豫时间和自扩散系数等多种核磁共振参数可以用来灵敏表征PNIPAAM在水和甲醇混合溶液中的相变行为     

掺杂的非晶态硅基合金薄膜的高温电子自旋共振研究

本文研究了掺杂(B和P)和未掺杂的a-Si_1-xC_x:H和a-Si_1-xN_x:H膜在高温下的电子自旋共振(ESR)特性。ESR的测量是在温度连续变化的过程中进行的。实验结果表明:掺B的a-Si_1-xC_x:H和a-Si_1-xN_x:H膜的ESR吸收谱,可以分解成两种性质不同的ESR吸收谱的叠加(g₁≈2.005和g₂≈2.010),g₁是硅悬挂键(Si)的贡献,g₂是价带尾态定域化空穴的贡献。随温度的上升,定域化空穴的密度比Si下降得更快。在温度不太高时,定域化空穴的密度远大于Si,但在温度较高时,Si的贡献是主要的。 关键词：     

盐酸莫西沙星对映体及混合体的核磁共振研究

利用核磁共振波谱¹H、¹³C NMR、DEPT、COSY、HSQC、HMBC、2D NOESY谱及¹⁹F-¹³C的偶合裂分,对盐酸莫西沙星对映体纯品（RR或SS）以及它们的混合体（RR/SS）结构进行分析和研究,详细解析了该分子结构的¹H和¹³C谱图归属,¹⁹F-¹³C间的偶合不仅体现在沙星母核中还表现在盐酸莫西沙星中的五元杂环中,且该五元杂环的⁴J_FC大于盐酸莫西沙星中的六元环上³J_FC和⁴J_FC,该文总结了盐酸莫西沙星对映体的波谱特征,确定混合体与纯品的区别方法.     

油井样品NMR T2谱的影响因素及T2截止值的确定方法

T₂ 谱是核磁共振（NMR）测、录井技术应用与解释、评价的基础. 岩样T₂ 谱受仪器测量参数、样品性质（岩性、颗粒大小、样品粒度、样品干湿状态、孔隙流体含量及性质、磁化率、润湿性）及地层水矿化度等因素的影响. T₂ 截止值是T₂ 谱中最重要的参数之一,选取的科学性与准确性直接影响到核磁共振测量结果. 通过文献查询,对T2 谱的影响因素及T₂ 截止值的确定方法进行了分析.     

孤子振动模的定域性

对于聚乙炔中孤子的五个定域振动模,本文研究了它们的位形随链长的变化而演变的情况,从而可确定其定域性。本文同时考察了开链和闭环两种情况。对于闭链,五个定域模定域于孤子附近,其形状与链长无关。对于开链,定域模g₁,g₂,g₃和g₅的位形不随链长而改变,因而是完全定域的,但是g₄的两翼随链长增加而变宽,定域性不完全。 关键词：     

基于蒙特卡罗算法的低场核磁共振测量效率提高方法

核磁共振（NMR）的纵向弛豫时间（T₁）、横向弛豫时间（T₂）、自扩散系数（D₀）,以及T₂-T₁、T₂-D₀测量目前广泛应用于石油测井行业.在测量D₀的SGSE序列中,通过逐渐增大90°和180°脉冲之间的时间间隔（T_d）,可以对液体扩散行为产生的影响进行调节.然而T_d的"起点"、"步进数"和"终点"等参数必须设置得当才能准确测量T₁和D₀.目前参数的设置依赖多次的人工调整和测量人员的经验,耗时且使用门槛较高.本文用蒙特卡罗方法进行大量随机模拟,根据前面若干点的测量结果筛选出满足要求的随机值,预测下一个测量点的位置.该算法可以实时更新参数设置,实现自动化测量,达到降低测量门槛、缩短测量时间的目的.经验证,该算法可以适用于T₁、D₀的测量.     

掺杂聚乙炔中的孤子振动定域模

在SSH模型基础上,本文研究了掺杂聚乙炔链中杂质势对孤子振动模的束缚影响。不同边界条件下的数值计算发现Goldstone模将受到杂质钉扎并出现两个新的定域模g₁′和g₂′。另外,还得到了其它已知的定域模g₂,g₃和g₅,这些定域模随杂质势的敏感程度各有不同,在所取参数下取得了与实验基本一致的结果。 关键词：     

一种改进的核磁共振测井测量脉冲序列

提出了一种可以提高核磁共振测井测量速度的新型测量脉冲序列,它基于对原有CPMG测量脉冲序列的改进.在原有的测量序列中,在一个CPMG脉冲序列结束之后,直接进行等待(T₁延时),以使磁化强度矢量能够完全恢复到平衡位置,然后再进行下一个CPMG脉冲序列的测量.由于测井仪器的连续运动,在测量含有长T₁成分的地层时,等待时间需要取得较长,使得测井速度很低.但在实际地层中,恰恰又是油气的T₁较长,这无疑给核磁共振测井带来了麻烦.作者发现,如果在一个CPMG脉冲序列结束之后在-x方向先施加一个90°脉冲(或在x方向施加一个270°脉冲),再进行等待,就能更好地使长T₁成分得到极化,从而缩短等待时间、提高测量速度.文中对这种改进后的脉冲序列进行了计算和分析,证明它确实具有一定的优越性.     

FNR-Ⅰ核磁共振波谱仪

基于自旋回波的原理研制成功了一台专用于分析磁性材料的核磁共振波谱仪。其工作频率为25-80MHz;输出功率10W,可用它在77-300°k范围测量铁磁材料的共振谱线,增强因数和自旋-自旋弛豫时间T₂;它也可用于测量非磁性固体的宽核磁共振谱线。     

用2D-NMR研究暗霉素T的化学结构

该文用NMR方法研究暗霉素T的化学结构.从1D谱和几种2D技术确认了暗霉素T是氨基糖苷类化合物.讨论了化合物的构型,并通过改变溶剂推断了氨基的连接位置.     

K_2(9~1∑~+_g)高位电子态与H_2碰撞中H_2的能量分布

光学-光学双共振激发K2到91∑+g高位态,研究了K2(91∑+g)与H2的电子-振转碰撞能量转移。利用相干反斯托克斯(CARS)光谱技术探测H2的振转态分布,扫描CARS谱表明H2在(1,1)、(2,1)、(2,2)、(3,1)、(3,2)、(3,3)和(3,5)能级上有布居。由时间分辨CARS轮廓得到H2各振转能级上粒子数之比,得到H2的平均振动能和平均转动能分别为9063cm-1和388cm-1。从91∑+g→11∑+u、11∑+u→11∑+g、33∏g→13∑+u跃迁的时间分辨激光感应荧光(LIF)强度得到它们的自发辐射率和碰撞转移率。在H2压强为3×103Pa时,K2(91∑+g)与H2的碰撞转移能为16930cm-1。H2的平均振转能占平均转移能的56%。     

糖类研究XXII.肿瘤相关寡糖前体的2D NMR研究

通过化学合成得到的乙酰基和苄基保护的四糖是合成肿瘤相关寡糖的重要中间体.本文利用¹H-¹H COSY、¹³C-¹H COSY、HMBC、TOCSY和ROESY 2D NMR技术对保护四糖的¹H和¹³C NMR谱进行了归属,并对该糖的结构进行了详细研究.     

A global inversion method for multi-dimensional NMR logging

We describe a general global inversion methodology of multi-dimensional NMR logging for pore fluid typing and quantification in petroleum exploration. Although higher dimensions are theoretically possible, for practical reasons, we limit our discussion of proton density distributions as a function of two (2D) or three (3D) independent variables. The 2D can be diffusion coefficient and T(2) relaxation time (D-T(2)), and the 3D can be diffusion coefficient, T(2), and T(1) relaxation times (D-T(2)-T(1)) of the saturating fluids in rocks. Using the contrast between the diffusion coefficients of fluids (oil and water), the oil and water phases within the rocks can be clearly identified. This 2D or 3D proton density distribution function can be obtained from either two-window or regular type multiple CPMG echo trains encoded with diffusion, T(1), and T(2) relaxation by varying echo spacing and wait time. From this 2D/3D proton density distribution function, not only the saturations of water and oil can be determined, the viscosity of the oil and the gas-oil ratio can also be estimated based on a previously experimentally determined D-T(2) relationship.     

Methods and limitations of NMR data inversion for fluid typing

We introduce two NMR inversion methods within the framework of 1D NMR to extract fluid saturations by varying echo spacing and wait time. The first method connects the T2 distribution of each fluid with the overall apparent T2 distribution using a shift matrix. Each fluid's saturation and T2 distribution are extracted by minimizing the difference between the model T2 distributions and measured apparent T2 distributions. The second method relates a model T2 distribution of each fluid with CPMG echo trains using a global evolution matrix that governs the evolution of magnetization under T1, T2 relaxation, and diffusion. These methods will be useful whenever data are not sufficient for 2D NMR inversion. They are also much faster than 2D for fluid typing. We also point out an inherent limitation associated with NMR inversion methods for fluid typing. Whenever there is singularity in the inversion matrix caused by similar behavior of model function for different fluids, most inversion algorithms remove the solution space associated with the singularity and choose a solution vector of the minimum length. This results in equal proportions of different fluids in the final answer. If prior knowledge such as saturation or T2 shape of the oil is available, there are several methods to tailor the solution to our desired outcome. However, if there is no prior knowledge available, such ambiguity always exists irregardless of the inversion schemes.     

核磁自旋回波串的液体分量分解快速反演法(英文)

该文叙述核磁自旋回波串的液体分量分解快速反演法.此方法假定液体,无论是在散装形式或饱和多孔介质中,可以用一个或一组核磁弛豫线形来表征.对一维核磁共振的拉普拉斯反演,它可以是预先确定的一个或一组T2或T1分布.对二维核磁共振的拉普拉斯反演,它可以是一个或一组预先确定的( D, T2)或( T1, T2)二维分布.对三维核磁共振的拉普拉斯反演,它可以是一个或一组预先设定的( D, T1, T2)三维分布.这些预先确定的线形,可以是高斯、B样条或预先由实验或经验确定的任何线形.这种方法可以显着降低核磁共振数据反演的计算时间,特别是从石油核磁共振测井采集的多维数据反演,它不需牺牲反演所得的分布的平滑性和准确性.这种方法的另一个新应用是作为一种约束求解方法来过滤相邻深度所采集的数据噪音.核磁共振测井的噪音信号,往往造成在相邻深度的同一岩性岩层有不同的T2分布.在此情况下, T2分布就不能用来识别岩性.通过非一般的矩阵操作,作者成功实现了对相邻深度的回波串实施约束求解方法,从而使得T2分布成为一种可靠的岩性识别指标.     

高温超导3mm波成像技术研究

为了探讨高温超导探测器的应用前景 ,研制了 1 2元线列高温超导探测器和成像原理样机。1 2元高温超导探测器的黑体平均 D*≥ 1 .8× 1 0 9cm Hz1/ 2 W- 1,平均 R≥ 1 .9× 1 0 4 VW- 1和 3mm辐射响应平均 D* ≥ 7.5× 1 0 8cm Hz1/ 2 W- 1,平均 R≥ 1 .6× 1 0 4 VW- 1。采用能量探测器代替外差混频器件研制的成像系统对 3mm辐射成像获得成功 ,预示高温超导探测器 (Bolometer)在 3mm波可得到广泛应用。     

Influence of high-intensity ultrasound on the IgE binding capacity of Act d 2 allergen,secondary structure,and In-vitro digestibility of kiwifruit proteins

Kiwifruit can trigger allergic reactions that can lead to death, causing public health concerns worldwide. In the present study, we treated kiwifruit samples with high-intensity ultrasound (20 kHz, 400 W, 50% duty cycle) for 0 to 16 min to evaluate its effect on the IgE binding capacity of kiwifruit allergen Act d 2, secondary structure and in-vitro digestibility of kiwifruit proteins. The changes in the protein solubility and microstructures of kiwifruit were also analyzed. The results showed that treatment with powerful ultrasound caused a significant disruption in the microstructure of kiwifruit tissues, leading to the changes in the secondary structures of proteins, including a loss of alpha-helixes and an increase in beta-sheet structures. These structural changes were due to the ultrasound treatment, especially 16 min of treatment, resulted in a 50% reduction in Act d 2 allergen content and significantly improved in-vitro digestibility up to 62% from the initial level of 35%. Furthermore, the solubility of the total proteins present in kiwifruit samples was significantly decreased by 20% after 16-min ultrasound processing. The results of this work showed that high-intensity ultrasound treatment has a potential application in reducing the allergenicity of kiwifruit or related products.     

Effects of RF profile on precision of quantitative T2 mapping using dual-echo steady-state acquisition

The dual echo steady-state (DESS) sequence has been shown successful in achieving fast T2 mapping with good precision. Under-estimation of T2, however, becomes increasingly prominent as the flip angle decreases. In 3D DESS imaging, therefore, the derived T2 values would become a function of the slice location in the presence of non-ideal slice profile of the excitation RF pulse. Furthermore, the pattern of slice-dependent variation in T2 estimates is dependent on the RF pulse waveform. Multi-slice 2D DESS imaging provides better inter-slice consistency, but the signal intensity is subject to integrated effects of within-slice distribution of the actual flip angle. Consequently, T2 measured using 2D DESS is prone to inaccuracy even at the designated flip angle of 90°. In this study, both phantom and human experiments demonstrate the above phenomena in good agreement with model prediction.     

在WBEPM理论下EuⅠ原子里德堡能级计算(英文)

依据最弱受约束电子势模型理论,计算了铕原子4f76snd6D9/2(n≥13)、4f76snd8D9/2(n≥17)、4f76snd8D5/2(n≥15)和4f76snd8D3/2(n≥21)里德堡系列能级.计算结果与实验值的最大相对误差为4×10-5,最大绝对误差是1.91cm-1,达到了较高精度,这表明文中的外推数据是可信的.