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

Ran Guo, Xin Zhang, Fei Zhang, Zhuo yong Zhang, Zhen qiang Yu, Yi zhuang Xu, Isao Noda, Yukihiro Ozaki

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

A novel approach to constructing high-dimensional asynchronous spectra (nD-Asyn) is proposed. Three theorems relevant to 1D slices of nD-Asyn are revealed. nD-Asyn is used to analyze bilinear data from mixtures containing multiple components obtained via hyphenated techniques. The spectral contribution of different components can be removed in a stepwise manner by increasing the dimensions of asynchronous spectra. As a result, the spectra of different components can be faithfully recovered even if the time-related profiles of different components severely overlap. Moreover, correct results can still be obtained via the nD-Asyn even if a considerable level of noise and baseline drift are present. The nD-Asyn approach is compared with MCR-ALS using different constraints in analyzing the data for a simulated and also for a real system. The nD-Asyn produced correct spectrum of every component. Only when complete constraints obtained from nD-Asyn method is utilized in the MCR-ALS calculation, correct spectra of all the components can be obtained. Thus, nD-Asyn can be used alone or in conjunction with MCR-ALS to analyze bilinear data containing contributions of multiple components.

Original languageEnglish (US)
Pages (from-to)76-84
Number of pages9
JournalSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume216
DOIs
StatePublished - Jun 5 2019
Externally publishedYes

Fingerprint

Advanced Launch System (STS)
theorems
profiles

Keywords

  • Bilinear data
  • n-Dimensional asynchronous spectrum
  • SACPs

ASJC Scopus subject areas

  • Analytical Chemistry
  • Atomic and Molecular Physics, and Optics
  • Instrumentation
  • Spectroscopy

Cite this

A preliminary study on constructing a high-dimensional asynchronous spectrum to analyze bilinear data. / Guo, Ran; Zhang, Xin; Zhang, Fei; Zhang, Zhuo yong; Yu, Zhen qiang; Xu, Yi zhuang; Noda, Isao; Ozaki, Yukihiro.

In: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 216, 05.06.2019, p. 76-84.

Research output: Contribution to journalArticle

Guo, Ran ; Zhang, Xin ; Zhang, Fei ; Zhang, Zhuo yong ; Yu, Zhen qiang ; Xu, Yi zhuang ; Noda, Isao ; Ozaki, Yukihiro. / A preliminary study on constructing a high-dimensional asynchronous spectrum to analyze bilinear data. In: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 2019 ; Vol. 216. pp. 76-84.
@article{3c031e70f3774543b810996d529c737b,
title = "A preliminary study on constructing a high-dimensional asynchronous spectrum to analyze bilinear data",
abstract = "A novel approach to constructing high-dimensional asynchronous spectra (nD-Asyn) is proposed. Three theorems relevant to 1D slices of nD-Asyn are revealed. nD-Asyn is used to analyze bilinear data from mixtures containing multiple components obtained via hyphenated techniques. The spectral contribution of different components can be removed in a stepwise manner by increasing the dimensions of asynchronous spectra. As a result, the spectra of different components can be faithfully recovered even if the time-related profiles of different components severely overlap. Moreover, correct results can still be obtained via the nD-Asyn even if a considerable level of noise and baseline drift are present. The nD-Asyn approach is compared with MCR-ALS using different constraints in analyzing the data for a simulated and also for a real system. The nD-Asyn produced correct spectrum of every component. Only when complete constraints obtained from nD-Asyn method is utilized in the MCR-ALS calculation, correct spectra of all the components can be obtained. Thus, nD-Asyn can be used alone or in conjunction with MCR-ALS to analyze bilinear data containing contributions of multiple components.",
keywords = "Bilinear data, n-Dimensional asynchronous spectrum, SACPs",
author = "Ran Guo and Xin Zhang and Fei Zhang and Zhang, {Zhuo yong} and Yu, {Zhen qiang} and Xu, {Yi zhuang} and Isao Noda and Yukihiro Ozaki",
year = "2019",
month = "6",
day = "5",
doi = "10.1016/j.saa.2019.03.008",
language = "English (US)",
volume = "216",
pages = "76--84",
journal = "Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy",
issn = "1386-1425",
publisher = "Elsevier",

}

TY - JOUR

T1 - A preliminary study on constructing a high-dimensional asynchronous spectrum to analyze bilinear data

AU - Guo, Ran

AU - Zhang, Xin

AU - Zhang, Fei

AU - Zhang, Zhuo yong

AU - Yu, Zhen qiang

AU - Xu, Yi zhuang

AU - Noda, Isao

AU - Ozaki, Yukihiro

PY - 2019/6/5

Y1 - 2019/6/5

N2 - A novel approach to constructing high-dimensional asynchronous spectra (nD-Asyn) is proposed. Three theorems relevant to 1D slices of nD-Asyn are revealed. nD-Asyn is used to analyze bilinear data from mixtures containing multiple components obtained via hyphenated techniques. The spectral contribution of different components can be removed in a stepwise manner by increasing the dimensions of asynchronous spectra. As a result, the spectra of different components can be faithfully recovered even if the time-related profiles of different components severely overlap. Moreover, correct results can still be obtained via the nD-Asyn even if a considerable level of noise and baseline drift are present. The nD-Asyn approach is compared with MCR-ALS using different constraints in analyzing the data for a simulated and also for a real system. The nD-Asyn produced correct spectrum of every component. Only when complete constraints obtained from nD-Asyn method is utilized in the MCR-ALS calculation, correct spectra of all the components can be obtained. Thus, nD-Asyn can be used alone or in conjunction with MCR-ALS to analyze bilinear data containing contributions of multiple components.

AB - A novel approach to constructing high-dimensional asynchronous spectra (nD-Asyn) is proposed. Three theorems relevant to 1D slices of nD-Asyn are revealed. nD-Asyn is used to analyze bilinear data from mixtures containing multiple components obtained via hyphenated techniques. The spectral contribution of different components can be removed in a stepwise manner by increasing the dimensions of asynchronous spectra. As a result, the spectra of different components can be faithfully recovered even if the time-related profiles of different components severely overlap. Moreover, correct results can still be obtained via the nD-Asyn even if a considerable level of noise and baseline drift are present. The nD-Asyn approach is compared with MCR-ALS using different constraints in analyzing the data for a simulated and also for a real system. The nD-Asyn produced correct spectrum of every component. Only when complete constraints obtained from nD-Asyn method is utilized in the MCR-ALS calculation, correct spectra of all the components can be obtained. Thus, nD-Asyn can be used alone or in conjunction with MCR-ALS to analyze bilinear data containing contributions of multiple components.

KW - Bilinear data

KW - n-Dimensional asynchronous spectrum

KW - SACPs

UR - http://www.scopus.com/inward/record.url?scp=85062807944&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85062807944&partnerID=8YFLogxK

U2 - 10.1016/j.saa.2019.03.008

DO - 10.1016/j.saa.2019.03.008

M3 - Article

C2 - 30877894

AN - SCOPUS:85062807944

VL - 216

SP - 76

EP - 84

JO - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

JF - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

SN - 1386-1425

ER -