A preliminary study on constructing a high-dimensional asynchronous spectrum to analyze bilinear data

Guo, Ruyan; Zhang, Xin; Zhang, Fei; Zhang, Zhuo yong; Yu, Zhen; Xu, Yi; Noda, Isao; Ozaki, Yukihiro

doi:10.1016/j.saa.2019.03.008

Cited by 14 publications

(14 citation statements)

References 39 publications

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“…The purpose of this study belongs to a project to retrieve spectrum of pure components from bilinear data of mixture containing three or more species. In our previous work, 32 a way to retrieve spectra of pure components from bilinear data containing three or more components are developed. In this approach, a three-dimensional asynchronous spectrum or even higher dimensional asynchronous spectrum ( n > 3) is utilized.…”

Section: Resultsmentioning

confidence: 99%

“…31 Moreover, a method to construct n D asynchronous spectra has been developed to analyze bilinear data of a mixture containing multiple components. 32 Inspired by the heuristic work of Šašić et al., 7 we proposed a secondary asynchronous spectrum using a sample−sample correlation approach that could even extract spectra of pure components from very challenging bilinear data (the temporal profiles of different components are overlapped; isolated peak is not present in the spectra of the eluted samples). 33 In these approaches, we found a phenomenon called systematic absence of cross-peak (SACP) in 2D/ n D asynchronous spectrum (the formal definition of SACP is in the first part of the Supplemental Material).…”

Section: Introductionmentioning

confidence: 99%

“…Recently, we adopted this approach in the analysis of bilinear data from chromatographic-spectroscopic and analogous experiments. [31][32][33] The advantage of the signal-enhancing approach is that it is free from signal distortion in the produced 2D asynchronous spectra. Nevertheless, the state-of-the-art of the signal-enhancing techniques still has some limitation: the modified reference approach is labor intensive.…”

Section: Introductionmentioning

confidence: 99%

“…Analysis of bilinear data using 2D and nD asynchronous spectra based on the SACP-based technique opens a new route to retrieve spectra of pure component from complex mixed samples. [31][32][33] However, the interference of noise in 2D and nD asynchronous spectra poses a great challenge in the identification of SACP. Noise-reduction techniques, suffering from the problem of signal distortion, often found to be unsuccessful in the pretreatment of 2D spectra.…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Intensity Enhancement of a Two-Dimensional Asynchronous Spectrum Without Noise Level Fluctuation Escalation Using a One-Dimensional Spectra Sequence Change

Zhou

et al. 2020

Appl Spectrosc

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Previously, we demonstrated that the intensities of cross peaks in a two-dimensional asynchronous spectrum could be enhanced via a change of the sequence of the corresponding 1D spectra. This unusual approach becomes useful when the determination of the sequential order of physicochemical events is not essential. However, we have not known whether the level of noise in the 2D asynchronous spectrum is also escalated as the sequence of 1D spectra is changed. Herein, we firstly investigate the noise behavior in a two-dimensional asynchronous spectrum upon changing the sequence of the corresponding 1D spectra on a model system. In the model system, bilinear data from a chromatographic-spectroscopic experiment on a mixture containing two components are analyzed via 2D asynchronous spectrum. The computer simulation results confirm that the cross peaks intensities in the resultant 2D asynchronous spectrum are indeed enhanced by more than100 times as the sequence of 1D spectra is changed, whereasthe fluctuation level of noise, reflected by the standard deviation of the value of a 2D asynchronous spectrum at a given point, is almost invariant. Further analysis on the model systems demonstrates that the special mathematical property of the Hilbert-Noda matrix (the modules of all the column vectors of the Hilbert-Noda matrix is near a constant) accounts for the moderate variation of the noise level during the changes of the sequence of 1D spectra. Secondly, a realistic example from a thermogravimetry-Fourier transform infrared spectroscopy (TG-FTIR) experiment with added artificial noise in seven 1D spectra was studied. As we alter the sequence of the seven FTIR spectra, the variation of the intensities of cross peaks covers four orders of magnitudes in the 2D asynchronous spectra. In contrast, the fluctuation of noise in 2D asynchronous spectra is within two times. The above results clearly demonstrate that a change in the sequence of 1D spectra is an effective way to improve the signal-to-noise level of the 2D asynchronous spectra.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Intensity Enhancement of a Two-Dimensional Asynchronous Spectrum Without Noise Level Fluctuation Escalation Using a One-Dimensional Spectra Sequence Change

Zhou

et al. 2020

Appl Spectrosc

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“…In another approach, the authors introduced a discrete diagonal projection approach 6 studying the entire upper and lower diagonal sums, 10,11 which then extended to asynchronous 2D-COS in this work. Another interesting example is a systematic absence of cross-peak method adopted by Guo et al., 12,13 used to extract pure component spectra from bilinear data obtained by hyphenated measurements, such as chromatography spectroscopy, with elution time as the perturbation. In addition, Thomas and Richardson 14 introduced the model of moving window 2D-COS, where the data to be analyzed are divided into small windows in the perturbation interval.…”

Section: Introductionmentioning

confidence: 99%

Distinguishing Resonant from Non-Resonant Nonlinear Optical Processes Using Intensity–Intensity Correlation Analyses

2021

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Three-color coherent anti-Stokes Raman scattering (CARS) represents non-degenerate four wave mixing that includes both non-resonant and resonant processes, the contributions of which depend upon how the molecular vibrational modes are being excited by the input laser pulses. The scattering signal due to resonant processes builds up progressively. An advanced analytical tool to reveal this deferred resonant signal buildup phenomenon is in need. In this work, we adapt a quantitative analytical tool by introducing one-dimensional and two-dimensional intensity–intensity correlation functions in terms of a new variable (probe pulse delay) and a new perturbation parameter (probe pulse linewidth). In particular, discrete diagonal directional sums are defined here as a tool to reduce both synchronous and asynchronous two-dimensional correlation spectroscopy (2D-COS) maps down to one-dimensional plots while maintaining the valuable analytical information. Detailed analyses using the all-Gaussian coherent Raman scattering closed-form solutions and the representative experimental data for resonant and non-resonant processes are presented and compared. The present work holds a promising potential for industrial application, e.g., by extractive industries to distinguish hydrocarbons (chemically resonant substance) from water (non-resonant contaminant) by utilizing the one- and two-dimensional correlation analyses.

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Emerging developments in two-dimensional correlation spectroscopy (2D-COS)

Park

Jin

Noda

et al. 2020

Journal of Molecular Structure

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A preliminary study on constructing a high-dimensional asynchronous spectrum to analyze bilinear data

Cited by 14 publications

References 39 publications

Intensity Enhancement of a Two-Dimensional Asynchronous Spectrum Without Noise Level Fluctuation Escalation Using a One-Dimensional Spectra Sequence Change

Intensity Enhancement of a Two-Dimensional Asynchronous Spectrum Without Noise Level Fluctuation Escalation Using a One-Dimensional Spectra Sequence Change

Distinguishing Resonant from Non-Resonant Nonlinear Optical Processes Using Intensity–Intensity Correlation Analyses

Emerging developments in two-dimensional correlation spectroscopy (2D-COS)

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