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2,3:4,5-双-O-(1-甲基亚乙基)-β-D-吡喃果糖又称为果糖二丙酮(diacetonefructose),是一类重要的药物合成中间体,它是抗癫痫药物托吡酯中的母体部分,在药物合成中具有重要的作用.果糖二丙酮结构中含有手性碳原子,核磁共振(NMR)谱图较为复杂,本文首先应用1H NMR、13C NMR、DEPT135、1H-13C HMBC、1H-13C HSQC、1H-1H COSY和NOESY实验对果糖二丙酮的1H和13C NMR信号进行了指认归属,确定了其空间构型.然后,利用计算化学的方法对其结构进行了模拟,进一步佐证了该构型的正确性. 相似文献
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本文利用多种液体核磁共振(NMR)技术,综合分析了在三个不同反应条件下蒽催化加氢反应获得的产物混合物.利用二维扩散排序谱(DOSY)和一维选择性激发谱(selTOCSY)确定了产物中含有的二氢蒽、四氢蒽、对称八氢蒽和非对称八氢蒽;利用1H NMR、13C NMR、DEPT135、1H-1H COSY、1H-13C HSQC实验对二氢蒽、四氢蒽和对称八氢蒽的1H和13C NMR信号进行了详细归属;利用定量核磁共振氢谱(QNMR)计算得到了蒽的转化率和产物的选择性.本研究可用于指导优化催化反应条件,提高产物对称八氢蒽的选择性,同时为稠环类芳烃催化加氢产物的分析提供系统的NMR技术方案. 相似文献
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中国科学院武汉物理与数学研究所(WIPM)于2010年成功研制了500 MHz(WIPM-I 500)高分辨超导核磁共振(NMR)谱仪,并将其投入实际应用中.然而,关于其二维核磁共振(2D NMR)谱图的准确性及在此基础上对复杂物质的结构解析尚无系统完整的数据报道.该文利用WIPM-I 500型NMR谱仪,对紫杉醇样品进行了1D NMR及2D NMR(包括1H-1H COSY、1H-1H TOCSY、J-Res、1H-13C HMQC和1H-13C HMBC)实验,将谱图分析结果与进口仪器进行了对比.结果表明:利用WIPM-I 500型NMR谱仪能够采集准确的2D NMR谱图,为紫杉醇的正确归属提供了实验基础;而且该文也纠正了文献中对紫杉醇的错误归属. 相似文献
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核磁共振(NMR)谱图可在不破坏生物样品的状态下提供组织成分组成及其含量的信息,已被广泛应用于生物、医学和食品检测等领域.NMR谱图分辨率越高,提供的与组织成分相关的信息越丰富、越准确,也越有利于未知成分的定性和定量分析.传统的高分辨NMR谱图通常要在均匀磁场下采集.但在实际应用中,均匀的磁场较难获得.这就使得我们采集的NMR谱图的分辨率,以及由此获得的生物组织成分组成和含量等信息的准确性受到影响.源于远程偶极相互作用的分子间双量子相干(iDQC)技术对磁场均匀度不敏感,可在不均匀场下获得高分辨率NMR谱图.本文采用基于iDQC技术的IDEAL-Ⅱ序列对甲基丙烯酸丁酯、蕃茄和西瓜三种样品进行了NMR实验,结果证明基于iDQC技术在不均匀场下获得水果的高分辨NMR谱图是可行的,这对食品科学以及食品检测具有积极的意义. 相似文献
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随着量子信息与量子计算科学的发展,量子信息处理器被广泛地用于量子计算、量子模拟、量子度量等方面的研究.为了能在实验上实现这些日益复杂的方案,将量子计算机的潜能转化成现实,需要不断提高可操控的量子体系比特位数,实现更复杂的量子操控.核磁共振自旋体系作为一个优秀的量子实验测试平台,提供了丰富而又精密的量子操控手段.近几年来在此平台上进行了不少的多量子比特实验,发展并积累了一系列的多量子比特实验技术.本文首先阐述了核磁共振体系多量子比特实验中的实验困难,然后结合7量子比特标记赝纯态制备以及其他有关实验,对多比特实验过程中应用到的实验技术进行介绍.最后对核磁共振体系多量子比特实验技术方向的进一步研究进行了总结和展望. 相似文献
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过去的二十年中,量子信息相关研究取得了显著的进展,重要的理论和实验工作不断涌现.与其他量子信息处理系统相比,基于自旋动力学的核磁共振系统,不仅具有丰富而且成熟的控制技术,还拥有相干时间长、脉冲操控精确、保真度高等优点.这也是核磁共振体量子系统能够精确操控多达12比特的量子系统的原因.因此,核磁共振量子处理器在量子信息领域一直扮演着重要角色.本文介绍核磁共振量子计算的基本原理和一些新研究进展.研究的新进展主要包括量子噪声注入技术、量子机器学习在核磁共振平台上的实验演示、高能物理和拓扑序的量子模拟以及核磁共振量子云平台等.最后讨论了液态核磁共振的发展前景和发展瓶颈,并对未来发展方向提出展望. 相似文献
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We report an NMR experimental realization of a rapid quantum deletion algorithm that deletes marked states in an unsorted database.Unlike classical deletion,where search and deletion are equivalent,quantum deletion can be implemented with only a single query,which achieves exponential speed-up compared to the optimal classical analog.In the experimental realization,the GRAPE algorithm was used to obtain an optimized NMR pulse sequence,and the efficient method of maximum-likelihood has been used to reconstruct the experimental output state. 相似文献
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近年来, 随着量子信息科学的发展, 对由量子力学原理描述的微观世界的主动调控已成为重要的前沿研究领域. 为构造实际的量子信息处理器, 一个关键的挑战是: 如何对处于噪声环境下的量子体系实现一系列高精度的任意操作, 以完成目标量子信息处理任务. 为此, 人们将经典系统控制论的思想方法延伸到量子体系的领域, 提出了大量的量子控制方法以及相关的数值技术(如量子优化控制、量子反馈控制等), 并取得了丰富的研究成果. 核磁共振自旋体系具备成熟的系统理论和操控技术, 为量子控制方法的实用性研究提供了优秀的实验测试平台. 因此, 基于核磁共振的量子控制成为量子控制领域的重要方向. 本文简要介绍了量子控制的基本概念和方法; 从系统控制论的角度对核磁共振自旋体系的基本原理和重要控制任务做了阐述; 介绍了近些年来在该领域发展的相关控制方法及其应用; 对基于核磁共振体系的量子控制的进一步的研究做了几点展望. 相似文献
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Two-dimensional (2D) nuclear magnetic resonance (NMR) spectroscopy has been proven to be a powerful technique for chemical, biological, and medical studies. Heteronuclear single quantum correlation (HSQC) and heteronuclear multiple bond correlation (HMBC) are two frequently used 2D NMR methods. In combination with spatially encoded techniques, a heteronuclear 2D NMR spectrum can be acquired in several seconds and may be applied to monitoring chemical reactions. However, it is difficult to obtain high-resolution NMR spectra in inhomogeneous fields. Inspired by the idea of tracing the difference of precession frequencies between two different spins to yield high-resolution spectra, we propose a method with correlation acquisition option and J-resolved-like acquisition option to ultrafast obtain high-resolution HSQC/HMBC spectra and heteronuclear J-resolved-like spectra in inhomogeneous fields. 相似文献
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Efficient quantum simulation of open quantum dynamics at various Hamiltonians and spectral densities
Na-Na Zhang 《Frontiers of Physics》2021,16(5):51501
Simulation of open quantum dynamics for various Hamiltonians and spectral densities are ubiquitous for studying various quantum systems. On a quantum computer, only log2N qubits are required for the simulation of an N-dimensional quantum system, hence simulation in a quantum computer can greatly reduce the computational complexity compared with classical methods. Recently, a quantum simulation approach was proposed for studying photosynthetic light harvesting [npj Quantum Inf. 4, 52 (2018)]. In this paper, we apply the approach to simulate the open quantum dynamics of various photosynthetic systems. We show that for Drude–Lorentz spectral density, the dimerized geometries with strong couplings within the donor and acceptor clusters respectively exhibit significantly improved efficiency. We also demonstrate that the overall energy transfer can be optimized when the energy gap between the donor and acceptor clusters matches the optimum of the spectral density. The effects of different types of baths, e.g., Ohmic, sub-Ohmic, and super-Ohmic spectral densities are also studied. The present investigations demonstrate that the proposed approach is universal for simulating the exact quantum dynamics of photosynthetic systems. 相似文献
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Two-dimensional (2D) multiple quantum MAS (magic angle spinning) spectroscopy has been combined with cross-polarisation to obtain a heteronuclear correlation spectrum between a quadrupolar spin-3/2 and a spin-1/2 nucleus. The advantage over the conventional correlation experiment is the increased resolution obtained in the multiple quantum dimension. Pure absorption 2D spectra can be obtained by implementing a zero quantum filter between the evolution of multiple quanta and the subsequent cross-polarisation step. The current experiment shows a considerable improvement in sensitivity compared to a previously introduced sequence. 相似文献
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七叶亭衍生物含有药效性较高的苯二酚基团,具有各种生物活性.本文以七叶亭(化合物1)为母体,通过将苯基引入到4位、将甲氧基与羟基分别引入到5、6、7和8位,得到一系列七叶亭衍生物2~14.首先以七叶亭为例,以DMSO-d6作为溶剂,采集了它的多种核磁共振(NMR)谱图(包括1H NMR、13C NMR、1H-13C HSQC、1H-13C HMBC),并进行了较详细的化学位移归属;然后对七叶亭衍生物2~14的1H和13C NMR进行了全归属;另外,讨论了取代基变化对七叶亭及其衍生物上的1H和13C NMR化学位移的影响;最后,使用GIAO和CSGT两种量子化学计算方法计算了七叶亭及其衍生物上的1H和13C NMR化学位移,并与它们的实测值做了比较. 相似文献
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Experimental realization of information transmission between not-directly-coupled spins on NMR quantum computers 总被引:1,自引:0,他引:1 下载免费PDF全文
This paper presents a simple scheme for information transmission between two non-directly interactive qubits in an n-qubit system. An example has been realized on a three-qubit nuclear magnetic resonance (NMR) spectrometer quantum computer. The experimental result successfully demonstrates that the feasible measure can also be extended to other quantum logical gates, or other quantum algorithms, where some qubits have no direct interactions in a multi-qubit system. 相似文献
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We show that for nonresonant excitation of a quantum system, with an NMR spectrum consisting of two inhomogeneously broadened
lines, by a combination of an extended and a short delta-shaped pulse, in the free-precession and spin-echo signals after
the second pulse we observe the effect of doubling of the additional emission signals. We establish that the nature of this
effect is due to zero beats arising when the variable oscillation frequency of the magnetic moments of the material matches
the detuning of the pulse carrier frequency from the resonant frequencies of the spectral lines. Within the theory obtained,
we propose a formula which we can use, if we know the times at which the additional emission signals arise, to very accurately
determine the frequency shift of the lines in the complex spectrum of the material. The theoretical results agree well with
experimental data on generation of multiple NMR signals in toluene, the spectrum of which consists of two non-overlapping
lines.
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Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 73, No. 3, pp. 304–308, May–June, 2006. 相似文献