| Title | 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 |
| Authors | He, Anqi Zeng, Xianzhe Xu, Yizhuang Noda, Isao Ozaki, Yukihiro Wu, Jinguang |
| Affiliation | Peking Univ, Coll Chem & Mol Engn, State Key Lab Rare Earth Mat Chem & Applicat, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China. Ninhai Doubly Adv Mat Co Ltd, Ninhai 315602, Peoples R China. Kwansei Gakuin Univ, Sch Sci, Dept Chem, Sanda, Hyogo 6691337, Japan. Peking Univ, Shenzhen Grad Sch, Sch Adv Mat, Shenzhen 518055, Peoples R China. Univ Delaware, Dept Mat Sci & Engn, Newark, DE 19716 USA. Peking Univ, Coll Chem & Mol Engn, State Key Lab Rare Earth Mat Chem & Applicat, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China. Xu, YZ (reprint author), Ninhai Doubly Adv Mat Co Ltd, Ninhai 315602, Peoples R China. |
| Keywords | SAMPLE DESIGN SCHEME PROBING INTERMOLECULAR INTERACTIONS PRINCIPAL COMPONENT ANALYSIS DIPOLE-DIPOLE INTERACTIONS DAOSD APPROACH SYNCHRONOUS SPECTROSCOPY CONCENTRATION SERIES CROSS PEAKS PROCESS REVERSIBILITY INFRARED CORRELATION |
| Issue Date | 2017 |
| Publisher | JOURNAL OF PHYSICAL CHEMISTRY A |
| Citation | JOURNAL OF PHYSICAL CHEMISTRY A. 2017, 121(40), 7524-7533. |
| Abstract | 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. |
| URI | http://hdl.handle.net/20.500.11897/484705 |
| ISSN | 1089-5639 |
| DOI | 10.1021/acs.jpca.7b06621 |
| Indexed | SCI(E) |
| Appears in Collections: | å å¦ä¸ å å å·¥ç¨ å¦é ¢ 新材料学院 稀土材料化学与应用国家重点实验室 |
