TY - JOUR
T1 - Curve-fitting of Fourier manipulated spectra comprising apodization, smoothing, derivation and deconvolution
AU - Lórenz-Fonfría, V. íctor A.
AU - Padrós, Esteve
PY - 2004/10/1
Y1 - 2004/10/1
N2 - We present a general method for curve-fitting Fourier manipulated spectra, comprising apodized, smoothed, derivatised and deconvoluted spectra. The analytical expressions of Fourier manipulated bands in the spectral domain, needed for the curve-fitting, are usually very complex or do not even exist; hence an accurate curve-fit of Fourier manipulated spectra becomes unfeasible. Our strategy is to construct both the model and their derivatives in the Fourier domain, where they have simple and general expressions, and then Fourier transform them back to the spectral domain. The first benefit of this approach is the accurate curve-fitting of Fourier deconvoluted spectra, a main step in the secondary structure estimation of proteins by FTIR spectroscopy. © 2004 Elsevier B.V. All rights reserved.
AB - We present a general method for curve-fitting Fourier manipulated spectra, comprising apodized, smoothed, derivatised and deconvoluted spectra. The analytical expressions of Fourier manipulated bands in the spectral domain, needed for the curve-fitting, are usually very complex or do not even exist; hence an accurate curve-fit of Fourier manipulated spectra becomes unfeasible. Our strategy is to construct both the model and their derivatives in the Fourier domain, where they have simple and general expressions, and then Fourier transform them back to the spectral domain. The first benefit of this approach is the accurate curve-fitting of Fourier deconvoluted spectra, a main step in the secondary structure estimation of proteins by FTIR spectroscopy. © 2004 Elsevier B.V. All rights reserved.
KW - Curve-fitting
KW - Deconvolution
KW - Derivation
KW - Infrared
KW - Resolution enhancement
KW - Smoothing
U2 - https://doi.org/10.1016/j.saa.2004.01.008
DO - https://doi.org/10.1016/j.saa.2004.01.008
M3 - Article
VL - 60
SP - 2703
EP - 2710
JO - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
JF - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
SN - 1386-1425
ER -