The application of theoretical models of complex shape to the fitting of experimental spectra having closely overlapping bands

Griffiths, Trevor R.; Nerukh, Dmitry; Eremenko, S. A.

doi:10.1039/a902569c

Cited by 11 publications

(16 citation statements)

References 14 publications

(8 reference statements)

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“…The thus obtained results differ considerably. One possible explanation of these differences can be seen in the disadvantages of least squares based methods as discussed in detail in [9].…”

Section: Analysis Of the Absorption Spectrum Of Lhc IImentioning

confidence: 97%

“…Since absorption band shapes of realistic biological objects are not trivial, ambiguity of subband decomposition into standard-shaped bands with a least squares-based method can be expected [9].…”

Section: Analysis Of the Chl A Q Y Absorption Region Of Pcpmentioning

confidence: 99%

“…However, due to inherent noise and background signals as well as the usual lack of information on the shape of the (hidden) subbands in experimental spectra, a decomposition using least-square methods may lead to ambiguous results, in particular if spectra are composed of strongly overlapping subbands. Disadvantages and possibilities of improving least-square based methods are discussed in [9,10]. Several other approaches of spectral subband decomposition exist (i.e., the Alentsev-Fok method [11] or the Fourier self-deconvolution method [12,13]).…”

Section: Introductionmentioning

confidence: 99%

“…The band shape of absorption spectra of molecules in the condensed phase is usually assumed to be Gaussian, Lorentzian, Voigtian or log-normal [9,[14][15][16][17][18][19][20].…”

Section: Introductionmentioning

confidence: 99%

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A method of spectral subband decomposition by simultaneous fitting the initial spectrum and a set of its derivatives

Mikhailyuk¹,

Lokstein²,

Razjivin³

2005

Journal of Biochemical and Biophysical Methods

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“…The thus obtained results differ considerably. One possible explanation of these differences can be seen in the disadvantages of least squares based methods as discussed in detail in [9].…”

Section: Analysis Of the Absorption Spectrum Of Lhc IImentioning

confidence: 97%

Section: Analysis Of the Chl A Q Y Absorption Region Of Pcpmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

“…The band shape of absorption spectra of molecules in the condensed phase is usually assumed to be Gaussian, Lorentzian, Voigtian or log-normal [9,[14][15][16][17][18][19][20].…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

A method of spectral subband decomposition by simultaneous fitting the initial spectrum and a set of its derivatives

Mikhailyuk¹,

Lokstein²,

Razjivin³

2005

Journal of Biochemical and Biophysical Methods

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“…The p(r) functions for lattices dissolved in various sucrose solutions have been used in a further analysis to determine structural parameters of the particles such as the core size, the shell thickness and the density of the comprising polymers. An open source program Dyefe (Griffiths et al, 1999;Nerukh, 2003) has been explored to fit the distance distribution functions using analytical expressions for different core-shell structure models discussed in this work. The program incorporates both simplex and random search algorithms which are stable and effective for problems with a number of parameters.…”

Section: à3mentioning

confidence: 99%

The application of distance distribution functions to structural analysis of core–shell particles

et al. 2007

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The structure of core-shell latex particles of polymethylmethacrylate (the core) and polyurethane (the shell) have been investigated by methods of small-angle X-ray scattering (SAXS) and atom-force microscopy. A set of SAXS patterns has been obtained using contrast variation method. Indirect methods have been used to follow the evolution of distance distribution functions from SAXS for lattices in various sucrose solutions over a range of solution density, yielding structural parameters of the particles such as core size, shell thickness and density of the polymers including density deviations within the particle's core and shell. A model for an ensemble of core-shell particles with a normal distribution of average electron density of both the core and the shell has been developed to fit the distance distribution functions using a random search algorithm. The effects of nanophase separation in the polyurethane is estimated using Monte Carlo simulations of the distance distribution functions where the phase-separated polyurethane is represented by spherical truncated cones in a shell simulating the location of hard and soft polyurethane blocks, respectively.

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Time-resolved luminescence studies of Eu3+ in soda-lime silicate glasses

Ruivo

Muralha

Águas

et al. 2014

Journal of Quantitative Spectroscopy and Radiative Transfer

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The application of theoretical models of complex shape to the fitting of experimental spectra having closely overlapping bands

Cited by 11 publications

References 14 publications

A method of spectral subband decomposition by simultaneous fitting the initial spectrum and a set of its derivatives

A method of spectral subband decomposition by simultaneous fitting the initial spectrum and a set of its derivatives

The application of distance distribution functions to structural analysis of core–shell particles

Time-resolved luminescence studies of Eu3+ in soda-lime silicate glasses

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