Romano R, Lamanna R, Santini M T, Indovina P L
Università di Napoli Federico II, Istituto Nazionale per la Fisica della Materia, Unità di Napoli, Complesso Universitario Monte S. Angelo, Via Cinthia, Naples, 80126, Italy.
J Magn Reson. 1999 May;138(1):115-22. doi: 10.1006/jmre.1999.1708.
There is increasing use of high-resolution NMR spectroscopy to examine variations in cell metabolism and/or structure in response to numerous physical, chemical, and biological agents. In these types of studies, in order to obtain relative quantitative information, a comparison between signal intensities of control samples and treated or exposed ones is often conducted. The methods thus far developed for this purpose are not directly related to the overall intrinsic properties of the samples, but rather to the addition of external substances of known concentrations or to indirect measurement of internal substances. In this paper, a new method for quantitatively comparing the spectra of cell samples is presented. It depends on a normalization algorithm which takes into consideration all cell metabolites present in the sample. In particular, the algorithm is based on maximizing, by an opportune sign variable measure, the spectral region in which the two spectra are superimposed. The algorithm was tested by Monte Carlo simulations as well as experimentally by comparing two samples of known contents with the new method and with an older method using a standard. At the end, the algorithm was applied to real spectra of cell samples to show how it could be used to obtain qualitative and quantitative biological information.
高分辨率核磁共振光谱法越来越多地用于检测细胞代谢和/或结构因多种物理、化学和生物因素而产生的变化。在这类研究中，为了获得相对定量信息，常常对对照样品与处理过或暴露过的样品的信号强度进行比较。迄今为止为此目的开发的方法并非直接与样品的整体内在特性相关，而是与添加已知浓度的外部物质或对内部物质进行间接测量有关。本文提出了一种定量比较细胞样品光谱的新方法。它依赖于一种归一化算法，该算法考虑了样品中存在的所有细胞代谢物。特别地，该算法基于通过适当的符号变量测量来最大化两个光谱叠加的光谱区域。通过蒙特卡罗模拟对该算法进行了测试，并通过使用标准物将新方法和一种旧方法用于比较两个已知含量的样品进行了实验验证。最后，将该算法应用于细胞样品的实际光谱，以展示如何利用它来获取定性和定量的生物学信息。
