基于光谱重叠的代谢物相关性的蒙特卡罗研究。
Monte Carlo study of metabolite correlations originating from spectral overlap.
机构信息
National Institute of Mental Health, National Institutes of Health, Bethesda, MD, USA.
出版信息
J Magn Reson. 2022 Aug;341:107257. doi: 10.1016/j.jmr.2022.107257. Epub 2022 Jun 15.
Abstract
Monte Carlo simulations and a mathematical model of spectral fitting were used to study the correlations between metabolites with overlapping resonances. The dependence of the polarity and the magnitude of cross-correlation coefficients between overlapping metabolites on the spectral patterns of MRS signals was investigated. The results demonstrate the importance of quantifying metabolite correlations originating from spectral overlap as they may confound determination of correlations of biological origin. The findings also indicate that it is possible to minimize unwanted metabolite correlations by altering spectral patterns in the presence of significant spectral overlap.
摘要
采用蒙特卡罗模拟和光谱拟合数学模型研究了具有重叠共振峰的代谢物之间的相关性。研究了重叠代谢物之间的交叉相关系数的极性和大小与 MRS 信号的光谱模式之间的关系。结果表明，定量来自光谱重叠的代谢物相关性非常重要，因为它们可能会干扰生物起源相关性的确定。研究结果还表明，在存在显著光谱重叠的情况下，通过改变光谱模式，可以最小化不必要的代谢物相关性。
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