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Spectral Preprocessing for Raman Library Searching

机译:拉曼谱库搜索的光谱预处理

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摘要

Raman spectroscopy has become a workhorse [1-3] technology in the pharmaceutical industry, and new applications are emerging rapidly. Many of these applications involve the use of Raman libraries for material identification and verification. Raman spectroscopy differs in several important respects from absorbance spectrometry. First, absorbance spectra are always normalized to the transmitted intensity of the excitation source spectrum, so source intensity fluctuations do not alter the measured absorbance. Raman signal levels, on the other hand, depend directly on the source intensity. More importantly, any emission that can be excited by the Raman source will contribute to the measured Raman spectra. For example, fluorescence is a common interference in Raman spectra that can arise from trace level impurities in the material under study, resulting in a broad background signal. Many Raman spectrometers in use today utilize 785 nm excitation sources to minimize the effect of fluorescence, but it can be difficult to completely eliminate this background contribution.
机译:拉曼光谱法已经成为制药行业的主要技术[1-3],并且新的应用正在迅速出现。这些应用中有许多涉及使用拉曼库进行材料识别和验证。拉曼光谱法在几个重要方面与吸收光谱法不同。首先,吸光度光谱总是根据激发源光谱的透射强度进行归一化,因此源强度波动不会改变测得的吸光度。另一方面,拉曼信号电平直接取决于光源强度。更重要的是,任何可被拉曼源激发的发射都将有助于测得的拉曼光谱。例如,荧光是拉曼光谱中的常见干扰,它可能是由研究材料中的痕量杂质引起的,从而产生了较宽的背景信号。当今使用的许多拉曼光谱仪利用785 nm激发源来最大程度地减少荧光效应,但要完全消除这种背景影响可能很困难。

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