Automatic determination of the sequential order of dynamic data and its application to vibrational spectroscopy

Research output: Contribution to journalArticlepeer-review

Abstract

For over the past 30 years, generalized two-dimensional correlation spectroscopy has formed an active and widespread research area. One of the most attractive properties of this method is that one can determine the sequential order of signal changes. But the determination of the sequential order has only been done manually for several arbitrarily chosen bands. In this paper, we develop a method to automatically determine the sequential order of all of the band intensity changes, and we applied this method to band changes of vibration spectra. This method will open a door to analyze more complicated signals often seen in life phenomena.

Original languageEnglish
Pages (from-to)5070-5079
Number of pages10
JournalJournal of chemical information and modeling
Volume60
Issue number10
DOIs
Publication statusPublished - 2020 Oct 26

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Computer Science Applications
  • Library and Information Sciences

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