A Computational Model for Holographic Sensing

B. Bakker
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Abstract

An existing analytical concept based on spectral decomposition has been developed more than hundred years ago, and is presently close to its limits in terms of performance and reliability, in particular, for complex samples. For molecules, a spectrum is a very complex pattern of sharp lines and continuous bands. So, in a classical spectrometer, detection is pruned to overlapping errors when two or more components of a sample have overlapping lines, and their separation is, generally, a non-unique problem. Indeed, a line can be assigned to, at least, two different transitions (in the same or different atom/molecules in a sample). Such an assignment based on line positions and transitions has limitations, and may not work at all for complex samples. As samples are getting more and more complex, the problem becomes increasingly intractable. In particular, algorithms and data processing to analyze complex spectra become very complex, require sophisticated peak analysis, etc. A mathematical "inversion" procedure for assignment and identification of components (species) also becomes unstable. That is, the current situation has all signs of a critical bottleneck, and requires an innovative approach. Meanwhile, selectivity is the first priority for many industries and applications. For instance, in the field of air toxics detection, the US EPA requires 189 components to be detected and regulated, and it is highly doubtful that any existing spectrometer is able to analyze reliably such a complex gaseous medium.
全息传感的计算模型
基于光谱分解的现有分析概念已经发展了一百多年,目前在性能和可靠性方面接近其极限,特别是对于复杂样品。对于分子来说,光谱是由尖锐的线条和连续的带组成的非常复杂的图案。因此,在经典光谱仪中,当样品的两个或多个组分具有重叠的线时,检测被修剪为重叠误差,并且它们的分离通常是一个非唯一问题。实际上,一条线至少可以表示两种不同的跃迁(在样品中相同或不同的原子/分子中)。这种基于线位置和过渡的分配有局限性,对于复杂的样本可能根本不起作用。随着样品越来越复杂,问题变得越来越棘手。特别是分析复杂光谱的算法和数据处理变得非常复杂,需要复杂的峰分析等。用于分配和鉴定组分(物种)的数学“反演”程序也变得不稳定。也就是说,目前的情况已经出现了严重瓶颈的所有迹象,需要一种创新的方法。同时,选择性是许多行业和应用的首要任务。例如,在空气毒物检测领域,美国环保局要求检测和监管189种成分,现有的光谱仪是否能够可靠地分析如此复杂的气体介质,这是非常值得怀疑的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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