Université Lille Nord de France, Lille 1, LASIR, CNRS-UMR 8516, F-59655 Villeneuve d'Ascq, Cedex, France.
Anal Chim Acta. 2011 Oct 31;705(1-2):64-71. doi: 10.1016/j.aca.2011.04.013. Epub 2011 Apr 20.
In femtosecond transient absorption spectroscopy, artifact contributions are usually observed at ultra-short time scale. These complex signals are very challenging because of their nature, related to ultrafast phenomena, and because they strongly distort the structure of the spectrokinetic data. The purpose of this work is to evaluate the potential of baseline correction methods for femtosecond transient absorption spectroscopy data pre-processing. Indeed, artifacts removal should ideally be performed before multivariate data analysis. The work is thus mainly focused on two different approaches which are filtering by discrete wavelet transform, on the one hand, and smoothing by asymmetric least squares, on the other hand. The results obtained both on simulated data and on femtosecond pump-probe spectroscopy data are discussed. It can be concluded that asymmetric least squares smoothing procedure turns out to perform satisfactory for artifacts removal. Indeed, only mild discrepancies are observed in the transient spectra and, most important, good recovery of the kinetics is obtained at ultra-short time scale.
在飞秒瞬态吸收光谱学中,通常在超短时间尺度上观察到伪影贡献。这些复杂的信号非常具有挑战性,因为它们的性质与超快现象有关,并且因为它们强烈扭曲了光谱动力学数据的结构。本工作的目的是评估基线校正方法在飞秒瞬态吸收光谱数据预处理中的潜力。实际上,在进行多元数据分析之前,应该理想地去除伪影。因此,这项工作主要集中在两种不同的方法上,一方面是离散小波变换滤波,另一方面是不对称最小二乘平滑。讨论了在模拟数据和飞秒泵浦探测光谱数据上获得的结果。可以得出结论,不对称最小二乘平滑处理程序在去除伪影方面表现出令人满意的效果。实际上,在瞬态光谱中仅观察到轻微的差异,最重要的是,在超短时间尺度上获得了良好的动力学恢复。