期刊
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C-PHOTOCHEMISTRY REVIEWS
卷 13, 期 1, 页码 1-27出版社
ELSEVIER
DOI: 10.1016/j.jphotochemrev.2011.10.002
关键词
Femtosecond time-resolved spectroscopy; Photochemistry; Chemometrics; Multivariate curve resolution; Global analysis; Bayesian data analysis; Model-based; Hard-modeling; Model-free; Soft-modeling
资金
- Centre National de la Recherche Scientifique (CNRS)
- Consejo Superior de Investigaciones Cientificos Conselo (CSIC)
- Ministeres des Affaires etrangeres et europeennes (MAEE) et de l'Enseignement superieur et de la Recherche (MESR) [22680VB, 20372WL, 23594QB]
- Spanish government [CTQ2009-11572]
Nowadays, time-resolved spectroscopy data can be routinely and accurately collected in UV-vis femtosecond transient absorption spectroscopy. However, the data analysis strategy and the postulation of a physically valid model for this kind of measurements may be tackled with many different approaches ranging from pure soft-modeling (model-free) to hard-modeling, where the elaboration of a parametric spectro-temporal model may be required. This paper reviews methods that are used in practice for the analysis of femtosecond transient absorption spectroscopy data. Model-based methods, common in photochemistry, are revisited, and soft-modeling methods, which originate from the chemometrics field and that recently disseminated in the photo(bio)chemistry literature, are presented. These soft-modeling methods are designed to suit the intrinsic nature of the multivariate (or multi-way) measurement. Soft-modeling tools do not require a priori physical or mechanistic models to provide a decomposition of the data on the time and wavelength dimensions, the only requirement being that these two (or more) dimensions are separable. Additionally, Bayesian data analysis, which provides a probabilistic framework for data analysis, is considered in detail, since it allows uncertainty quantification and validation of the model selection step. (C) 2011 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据