Investigation on the Behavior of Noise in Asynchronous Spectra in   Generalized Two-Dimensional (2D) Correlation Spectroscopy and   Application of Butterworth Filter in the Improvement of Signal-to-Noise   Ratio of 2D Asynchronous Spectra

doi:10.1021/acs.jpca.7b06621

CORC > 北京大学 > 化学与分子工程学院

	Investigation on the Behavior of Noise in Asynchronous Spectra in Generalized Two-Dimensional (2D) Correlation Spectroscopy and Application of Butterworth Filter in the Improvement of Signal-to-Noise Ratio of 2D Asynchronous Spectra
	He, Anqi ; Zeng, Xianzhe ; Xu, Yizhuang ; Noda, Isao ; Ozaki, Yukihiro ; Wu, Jinguang
刊名	JOURNAL OF PHYSICAL CHEMISTRY A
	2017
关键词	SAMPLE DESIGN SCHEME PROBING INTERMOLECULAR INTERACTIONS PRINCIPAL COMPONENT ANALYSIS DIPOLE-DIPOLE INTERACTIONS DAOSD APPROACH SYNCHRONOUS SPECTROSCOPY CONCENTRATION SERIES CROSS PEAKS PROCESS REVERSIBILITY INFRARED CORRELATION
DOI	10.1021/acs.jpca.7b06621
英文摘要	The behavior of noise in asynchronous spectrum in generalized two-dimensional (2D) correlation spectroscopy is investigated. Mathematical analysis on the noise of 2D spectra and computer simulation on a model system show that the fluctuation of noise in a 2D asynchronous spectrum can be characterized by the standard deviation of noise in 1D spectra. Furthermore, a new approach to improve a signal-to-noise ratio of 2D asynchronous spectrum by a Butterworth filter is developed. A strategy to determine the optimal conditions is proposed. Computer simulation on a model system indicates that the noise of 2D asynchronous spectrum can be significantly suppressed using the Butterworth filtering. In addition, we have tested the approach to a real chemical system where interaction between berberine and beta-cyclodextrin is investigated using 2D UV-vis asynchronous spectra. When artificial noise is added, cross peaks that reflect intermolecular interaction between berberine and beta-cyclodextrin are completely masked by noise. After the method described in this article is utilized, noise is effectively suppressed, and cross peaks are faithfully recovered. The above result demonstrates that the approach described in this article is applicable in real chemical systems.; National Natural Science Foundation of China [51373003]; SCI(E); ARTICLE; 40; 7524-7533; 121
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/484705]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	He, Anqi,Zeng, Xianzhe,Xu, Yizhuang,et al. Investigation on the Behavior of Noise in Asynchronous Spectra in Generalized Two-Dimensional (2D) Correlation Spectroscopy and Application of Butterworth Filter in the Improvement of Signal-to-Noise Ratio of 2D Asynchronous Spectra[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2017.
APA	He, Anqi,Zeng, Xianzhe,Xu, Yizhuang,Noda, Isao,Ozaki, Yukihiro,&Wu, Jinguang.(2017).Investigation on the Behavior of Noise in Asynchronous Spectra in Generalized Two-Dimensional (2D) Correlation Spectroscopy and Application of Butterworth Filter in the Improvement of Signal-to-Noise Ratio of 2D Asynchronous Spectra.JOURNAL OF PHYSICAL CHEMISTRY A.
MLA	He, Anqi,et al."Investigation on the Behavior of Noise in Asynchronous Spectra in Generalized Two-Dimensional (2D) Correlation Spectroscopy and Application of Butterworth Filter in the Improvement of Signal-to-Noise Ratio of 2D Asynchronous Spectra".JOURNAL OF PHYSICAL CHEMISTRY A (2017).