[1]黄珊珊,李鹏,何培忠.液体核磁共振中多核体系的量子模拟[J].中国医学物理学杂志,2020,37(6):743-748.[doi:DOI:10.3969/j.issn.1005-202X.2020.06.016]
　HUANG Shanshan,LI Peng,HE Peizhong.Quantum simulation of multi-nuclei system in liquid nuclear magnetic resonance[J].Chinese Journal of Medical Physics,2020,37(6):743-748.[doi:DOI:10.3969/j.issn.1005-202X.2020.06.016]
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液体核磁共振中多核体系的量子模拟()
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《中国医学物理学杂志》[ISSN:1005-202X/CN:44-1351/R]

卷:
37
期数:
2020年第6期
页码:
743-748
栏目:
医学信号处理与医学仪器
出版日期:
2020-06-25

文章信息/Info

Title:
Quantum simulation of multi-nuclei system in liquid nuclear magnetic resonance
文章编号:
1005-202X（2020）06-0743-06
作者:
黄珊珊1; 李鹏2; 何培忠2
1.上海理工大学医疗器械与食品学院， 上海 200093； 2.上海健康医学院医学影像学院， 上海 201318
Author(s):
HUANG Shanshan1;  LI Peng2;  HE Peizhong2
1. School of Medical Instrument and Food Engineering, University of Shanghai for Science and Technology, Shanghai 200093, China 2. College of Medical Imaging, Shanghai University of Medicine & Health Sciences, Shanghai 201318, China
关键词:
量子模拟; 核磁共振; 多核体系; J耦合
Keywords:
Keywords: quantum simulation nuclear magnetic resonance multi-nuclei system J-coupling
分类号:
R318；O413.1
DOI:
DOI:10.3969/j.issn.1005-202X.2020.06.016
文献标志码:
A
摘要:
目的：基于量子力学原理，对液体核磁共振中的多核体系进行自旋动力学模拟。方法：首先把液体核磁共振实验过程中出现的化学位移、J耦合相互作用写成狄拉克算符，然后转化成矩阵形式，将它们代入密度矩阵的演化方程，在采样阶段使用观测算符记录每个采样点的信号，最后使用傅里叶变换得到谱图。结果：通过量子模拟得到了多核体系演化的核磁共振谱图，与对应的理论预测及预期的实验结果一致。结论：在核磁共振中使用量子力学建模和模拟是完全可靠的，可用于辅助分析真实的核磁共振实验。
Abstract:
Abstract: Objective To simulate the spin dynamics of the multi-nuclei system in liquid nuclear magnetic resonance (NMR) based on quantum mechanics. Methods Firstly, the chemical shift and J-coupling in liquid NMR experiments were written as Dirac operators and then converted into matrix form. Secondly, the matrixes were substituted into the evolution equation of the density matrix, and the signal of each sampling point was recorded by observation operator in the sampling stage. Finally, the spectra were obtained by Fourier transform. Results The NMR spectra of multi-nuclei system evolution were obtained by quantum simulation, which were consistent with the corresponding theoretical predictions and the expected experimental results. Conclusion The use of quantum mechanical modeling and simulation in NMR is completely reliable, and the proposed method can be used to assist the analysis of real NMR experiments.

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备注/Memo

备注/Memo:
【收稿日期】2020-01-10 【基金项目】国家重大科学仪器设备开发专项（2013YQ170463） 【作者简介】黄珊珊，在读硕士，研究方向：医学成像及图像处理技术，E-mail: 1124736191@qq.com 【通信作者】李鹏，博士，讲师，研究方向：核磁共振的理论、技术及应用，E-mail: lipeng_sh_cn@hotmail.com；何培忠，博士，教授，研究方向：磁共振成像设备关键技术研究，E-mail: hepz@sumhs.edu.cn
更新日期/Last Update: 2020-07-03