Optimization of metabolite detection by quantum mechanics simulations in magnetic resonance spectroscopy

被引：2

作者：

Gambarota, Giulio ^{[1
,2
]}

机构：

[1] Univ Rennes 1, LTSI, F-35000 Rennes, France

[2] INSERM, UMR 1099, F-35000 Rennes, France

来源：

ANALYTICAL BIOCHEMISTRY | 2017年 / 529卷

关键词：

Quantum mechanics simulations; Density matrix; Magnetic resonance spectroscopy; Metabolites; Strongly coupled spin systems; GAMMA-AMINOBUTYRIC-ACID; H-1 MR SPECTROSCOPY; LOCALIZED PROTON SPECTROSCOPY; POINT RESOLVED SPECTROSCOPY; DENSITY-MATRIX CALCULATIONS; STRONGLY COUPLED SPINS; IN-VIVO DETERMINATION; SHORT ECHO-TIME; HUMAN BRAIN; T;

D O I：

10.1016/j.ab.2016.08.019

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

Magnetic resonance spectroscopy (MRS) is a well established modality for investigating tissue metabolism in vivo. In recent years, many efforts by the scientific community have been directed towards the improvement of metabolite detection and quantitation. Quantum mechanics simulations allow for investigations of the MR signal behaviour of metabolites; thus, they provide an essential tool in the optimization of metabolite detection. In this review, we will examine quantum mechanics simulations based on the density matrix formalism. The density matrix was introduced by von Neumann in 1927 to take into account statistical effects within the theory of quantum mechanics. We will discuss the main steps of the density matrix simulation of an arbitrary spin system and show some examples for the strongly coupled two spin system. (C) 2016 Elsevier Inc. All rights reserved.

引用

页码：65 / 78

页数：14

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