一种同时测量分子间多量子相干横向弛豫和自扩散系数的快速方法

提出一种可同时直接测量高极化核自旋体系分子间n阶多量子相干横向弛豫时间T2,n和自扩散系数Dn的一维核磁共振方法。实验结果表明：对于单组份单峰的高极化核自旋体系,分子间n(n≥1）阶多量子相干横向弛豫时间T2,n自扩散系数Dn分别具有如下关系：T2,n≈T2,1／n和Dn ≈nD1,这里T2,1和D1分别为该峰的单量子相干横向弛豫时间和自扩散系数。这些结果有助于揭示分子间多量子相干横向弛豫和自扩散的性质和机理。     

MPFGE: 一种有效的抑制水峰的方法及其基于NMR的代谢组学中的应用

建立适用于代谢组学研究生物体液样品的核磁共振测定实验方法。鉴于代谢组学研究的核磁共振测定中传统方法预饱和压抑水峰的实验结果不甚理想,通过在脉冲序列的适当位置引入新的脉冲元素,对相关脉冲序列进行结构改造,以延迟信号检测时间,消除梯度脉冲涡流电流效应的影响。由结果可知,建立了代谢组学研究的尿样、血样核磁共振检测方法 1D MPFGE 1H NMR、2D MPFGE1H1H COSY和2D MPFGE NOESY等新的脉冲序列实验方法。因此,新的核磁共振方法压制水峰效果好,实验谱图偏共振效应弱、基线平稳,明显优于传统的预饱和实验方法。在黄药子代谢组学研究中取得满意结果,实验方法亦适用于其它的相关代谢组学研究。     

高极化自旋体系纵向弛豫时间的测量

在高极化自旋体系中由于强辐射阻尼效应的影响,常规的纵向弛豫时间(T1)测量方法不再适用或需修改.本文提出了高极化自旋体系T1的分子间多量子相干测量方法.通过相干脉冲梯度场抑制演化期的辐射阻尼效应,利用分子间多量子相干信号的性质消除检测期的辐射阻尼效应,在绝对值谱模式下对谱峰峰高拟合,准确计算出T1.在此基础上,分析和比较了分子间多量子相干法与饱和恢复法对辐射阻尼效应的抑制作用.实验结果表明,分子间多量子相干方法能有效地抑制辐射阻尼效应,准确测量高极化自旋体系纵向弛豫时间.     

基于机器学习算法预测核磁共振T2谱

近年来,深度学习算法被广泛应用于生成各种类型的数据。本文通过分析测井数据与核磁共振T2谱之间的映射关系,利用随机森林与LSTM网络模型实现了对核磁共振T2谱的重构。核磁共振测井每个深度获得的T2谱是在不同的时间序列中通过不同的布点数来显示形态上的变化的,随机森林算法能够处理高维度的核磁共振T2谱数据且不需要做特征选择,而LSTM可以很好地控制不同深度神经元对T2谱各分布点的影响,将这两种网络模型进行参数优化后对同一口井的预测结果进行对比分析。这里选取了中国海上A油田的测井数据作为例子进行方法测试。首先,利用灰色关联度算法分析T2几何均值与测井曲线的相关性。选取相关性高于设定值的测井曲线,将测井曲线标准化缩放在0~1后作为随机森林与LSTM模型的输入,预测同一地层T2谱形态分布规律并比较算法的优劣。在比较软件处理得到的核磁共振T2谱和预测结果后分析它们之间产生差异的原因。结果显示通过LSTM神经网络模型预测的数据与地层真实数据的符合度比随机森林算法更高,符合度可达90%以上。     

利用图论多分辨率聚类方法构建核磁可变T2截止值预测模型

准确求取T2截止值对核磁共振资料在储层评价中的应用至关重要,传统T2截止值获取方法受到区域性、储层非均质性等影响明显,实际使用中往往误差较大。本文基于岩心核磁实验,分析物性参数、核磁共振T2谱几何均值等参数与T2截止值之间的关系。考虑到储层非均质的影响,提出采用图论多分辨率聚类方法,利用邻近指数和核心代表指数划分测井相,结合铸体薄片等资料建立测井相与岩相的对应关系,建立基于测井相约束的可变T2截止值预测模型。在渤海盆地X油田实际应用中表明,本文提出的模型计算的T2截止值与岩心核磁实验T2截止值测量值误差较小,较传统方法优势明显,进一步提高了利用核磁共振资料计算储层参数的准确性与适用性。     

预变形对新型含钪Al-Cu-Li-Zr合金剥蚀性能的影响

采用剥落腐蚀实验、电化学阻抗测试等方法,研究预轧变形对新型含钪Al-Cu-Li-Zr合金剥蚀性能的影响.研究结果表明:合金在EXCO溶液中剥落腐蚀敏感性由高到低依次表现为过时效→峰时效→欠时效;时效前,预轧变形不改变合金的腐蚀规律;T1相和无沉淀析出带(PFZ)是引起合金腐蚀的主要因素,预轧变形促进T1相的形核与长大;预轧变形后的合金,T1相粗化,PFZ变宽,剥落腐蚀程度更加严重.     

低磁场下激光泵浦超极化惰性气体研究

为了获得高极化度的惰性气体,采用激光泵浦的方法可以使没有放射性的惰性气体同位素(如129Xe、3He)的自旋极化度得到极大增强.圆柱形的玻璃泵浦室内充满天然氙气、氮气、铷蒸气和氦气的混合气体,压力维持在1 MPa左右.泵浦室放置在30Gs的均匀磁场内,并被加热到318～352K.中心波长为794.7 nm的圆偏振激光均匀照射泵浦室对碱金属及惰性气体进行泵浦极化.其获得的非平衡极化度远远高于在相同磁场里玻尔兹曼平衡值.增强的核自旋极化度,可以使惰性气体同位素核磁共振的灵敏度提高104～105倍.     

原油的变温核磁共振弛豫特性实验研究

随埋藏深度的不同,地下原油温度有很大的变化,造成其核磁共振（NMR）弛豫特性差别较大。利用2 MHz核磁共振谱分析仪器,对选取的不同粘度的脱气原油样品,测量了5种不同温度下原油样品的NMR弛豫时间。结果表明,随温度升高,同一油样的弛豫速度变缓,弛豫时间增大,弛豫时间谱有规律地右移,但横向弛豫时间T2和纵向弛豫时间T1随温度的变化速度有所不同。随粘度降低,不同油样弛豫时间谱有规律地向右移动,说明原油中长弛豫组分增多,而短弛豫组分减少,弛豫时间逐渐增大。低粘度原油的纵向弛豫时间T1和横向弛豫时间T2近似相等,且在双对数坐标系下与粘度、粘度与温度比值呈反比关系;高粘度原油的T1和T2不同,其T1/T2值随粘度与温度比值的增加而增大。     

荧光增白剂溶液浓度核磁共振法检测方法研究

利用核磁共振技术测量了不同浓度荧光增白剂溶液的核磁共振T2谱,建立了T2谱中第一峰的峰点时间、峰高、峰面积等参量与荧光增白剂VBL溶液浓度的关系。研究结果表明:荧光增白剂溶液的浓度与第一峰的峰高、峰面积之间不存在单值对应关系,而与第一峰的峰点时间之间呈现线性关系,即核磁共振T2谱的第一峰点时间可作为核磁共振法检测荧光增白剂溶液浓度的敏感参量,并给出了利用核磁共振法测量荧光增白剂溶液浓度的一种新方法。     

原油的变温核磁共振弛豫特性实验研究

随埋藏深度的不同,地下原油温度有很大的变化,造成其核磁共振(NMR)弛豫特性差别较大.利用2 MHz核磁共振谱分析仪器,对选取的不同粘度的脱气原油样品,测量了5种不同温度下原油样品的NMR弛豫时间.结果表明,随温度升高,同一油样的弛豫速度变缓,弛豫时间增大,弛豫时间谱有规律地右移,但横向弛豫时间T2和纵向弛豫时间T1随温度的变化速度有所不同.随粘度降低,不同油样弛豫时间谱有规律地向右移动,说明原油中长弛豫组分增多,而短弛豫组分减少,弛豫时间逐渐增大.低粘度原油的纵向弛豫时间T1和横向弛豫时间T2近似相等,且在双对数坐标系下与粘度、粘度与温度比值呈反比关系;高粘度原油的T1和T2不同,其T1/T2值随粘度与温度比值的增加而增大.     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

Achieving Unusual States of Matter Under High Pressure

正The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry,rooted in the atomic shell structure.Within compounds,Group I elements,for example,invariably assume the+1 oxidation state,and their chemical properties differ completely from those of the p-block elements.These general rules govern our understanding of chemical structures and reactions.Using first principles calcula-     

Exchange-Correlation and Electronic Excitation Energies from Pairing Matrix Fluctuations

We have developed an adiabatic connection to formulate the ground-state exchange-correlation energy in terms of pairing matrix linear fluctuations.This formulation of the exchange-correlation energy opens a new channel for density functional approximations based on the many-body perturbation theory.We illustrate the potential of such approaches with an approximation based on the particle-particle Random Phase Approximation(pp-RPA).This re-     

Density Functional Theory for the Response of Periodic Systems to Electric Fields Based on the Vector Potential Approach

正The electronic and nuclear(structural/vibrational)response of 1D-3D nanoscale systems to electric fields gives rise to a host of optical,mechanical,spectral,etc.properties that are of high theoretical and applied interest.Due to the computational difficulty of treating such large systems it is convenient to model them as infinite and periodic(at least,in first approximation).The fundamental theoretical/computational problem in doing so is that     

On the Thermodynamic Limit for Responses to Static Electromagnetic Fields

For molecular systems,the quantum-mechanical treatment of their responses to static electromagnetic fields usually employs a scalar-potential treatment of the electric field and a vector-potential treatment of the magnetic field.Although the potential for each field separately is associated with the choice of an(unphysical)origin,the precise choice of the origin for the electrostatic field has little consequences for the results.This is different for the     

An affordable accurate evaluation of the binding conformations predicted by molecular docking studies in bio-system

Franck-Condon factors bridge the gap between theoretical modeling and experimental observations for molecular electronic spectroscopy and electron transfer.Under the displaced harmonic oscillator approximation,multidimensional Franck-Condon factors are decomposed into a product of many one-dimensional(1D)Franck-Condon(FC)factors,and each 1D-FC factor is associated with one Huang-Rhys factor that determines the leading contribution of     

Call for Papers

<正>"The Journal of Shanghai Normal University:Mathematics"is published by Shanghai Normal University as regular issues of The Journal of Shanghai Normal University each year from 2014 in English.The editors-in-chief of the issues are professors Yuhao Cong and Maoan Han.The Journal of Shanghai Normal University was started in 1958 with     

Journal of Donghua University ( English Edition) Contents of Volume 31

正~~