Iterative and function-continuation Fourier deconvolution methods for enhancing mass spectrometer resolution

Ioup, Juliette W.; Ioup, George E.; Rayborn, Grayson H.; Wood, G. M.; Upchurch, Billy T.

doi:10.1016/0168-1176(83)85030-7

Cited by 7 publications

(4 citation statements)

References 30 publications

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“…Therefore, the application of filters must be done in the frequency domain, otherwise, a data smoothing should be performed prior to the deconvolution. A number of authors evaluate a smoothing method that offers several improvements over Fourier smoothing, such as suppression of the high-frequency components in the original signal [28][29][30][31]. As an alternative to limit data noise effect on the obtained result, an analytical fit of the measured data and detector response could also be performed.…”

Section: Jinst 17 P09019mentioning

confidence: 99%

Optimization of the iterative deconvolution correction method applied to ionization chamber response for small field dosimetry measurements

et al. 2022

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This study aims to optimize the iterative deconvolution correction of air-filled ionization chamber measurements with limited spatial resolution for photon beam dosimetry. The ionization chamber volume effect could be explained by the inhomogeneity of the absorbed dose in its sensitive volume, leading to a volume averaging effect acting as a convolution kernel K(x). Therefore, the “true” dose profile Pt(x) can be deduced by deconvolving measured 1D profiles Pm(x). The Semiflex 3D ionization chamber type PTW 31021 was studied for beams with flattening filter (WFF), while the SNC125c ionization chamber was investigated for flattening filter free (FFF) beams. The deconvolution distributions were compared for the first ionization chamber with reference dose profiles calculated by Monte Carlo simulation and for the second ionization chamber with reference measurements obtained using a diode EDGE detector, suitable for small field applications. The convolution kernel was assumed to be a sum of normalized Gaussian and Lorentz distributions parametrized by the pair (σicλic ). Good results were obtained with respect to the γ index 2.0%/0.5 mm criterion for the field sizes 6 × 6 mm2, 10 × 10 mm2 and 20 × 20 mm2. The highest agreement between reference and corrected measurement data was obtained by using the Gauss-Lorentz distribution parameters (1.92 mm, 0.80 mm) and (1.90 mm, 0.90 mm) for the ionization chambers Semiflex 3D type PTW 31021 and SNC125c, respectively.

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Section: Jinst 17 P09019mentioning

confidence: 99%

Optimization of the iterative deconvolution correction method applied to ionization chamber response for small field dosimetry measurements

et al. 2022

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“…A hallmark and enabling feature of electrospray mass spectrometry (ES MS) is its ability to sample and detect multiply charged ions . While the presence of various different charge states complicates the appearance of ES spectra, several “charge-stripping” approaches have emerged for deconvolving the resulting spectra of multiply charged species. − These methods are generally limited, however, to spectra obtained from single analytes or relatively simple mixturesfar from the case encountered in applications to synthetic polymers, which are intrinsically complex mixtures of components of varying degrees of polymerization. Indeed, polymer applications were among the first attempted by ES MS, and the resulting spectral complexity spurred some early skepticism about the method's potential .…”

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confidence: 99%

“…FT methods have been used elsewhere for simplifying conventional (as opposed to ion cyclotron resonance, ICR) mass spectra. For example, Raznikov and Raznikova used FT followed by data manipulation and inverse FT of unresolved isobar envelopes to reveal the various isobaric contributors and their relative abundances. , Ioup et al used FT methods to increase the effective resolution obtained from a 5-in.-radius Dempster-type magnetic deflection mass spectrometer . To our knowledge, the work of Danis and Huby 21 discussed above remains the only report to date of an attempt to apply FT to a conventional (non-ICR) polymer mass spectrum.…”

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confidence: 99%

Use of Fourier Transform for Deconvolution of the Unresolved Envelope Observed in Electrospray Ionization Mass Spectrometry of Strongly Ionic Synthetic Polymers

Prebyl

Cook

2003

Anal. Chem.

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Fourier transform analysis of electrospray mass spectra of synthetic polymers can be used to obtain information about the monomer mass, charge distribution, and polydispersity in cases where the convolution of molecular weight, charge, and isotope distributions renders spectra otherwise uninterpretable. Charge-state information can be used with the original mass spectrum to estimate the sample average molecular weight. Determination of the combined end group mass may also be feasible, but at best, an average value can be derived in cases where multiple end groups or adducting species are present. The method is tested using simulated and experimental spectra. Successful application requires a reasonable signalto-noise ratio and spectral digitization rate but does not require full resolution of contributing peaks. It appears in this regard to be complementary to the autocorrelation method of Danis and Huby (Danis, P. O.; Huby, F.

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“…However, only a small number of compounds can be simultaneously targeted in this mode of operation. Neither chemometric methods aimed at improving mass spectral peak deconvolution − or probabilistic library matching routines − nor advances in MS detector hardware − have minimized the need for extensive sample preparation prior to analysis.…”

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confidence: 99%

Time-Condensed Analyses by Mass Spectrometry

et al. 1998

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Research has focused on the development of a new set of mathematical algorithms, encoded in C(++), when combined with a thermal desorption sample introduction system provides quantitative analysis of a wide mixture of organic compounds in under 10 min by gas chromatography/mass spectrometry. The overall goal is to condense the time of analysis, including both the times required for sample preparation and for chromatographic separation. In this paper, results are presented where compound identification has been made for polychlorinated biphenyls, chlorinated pesticides, and polycyclic aromatic hydrocarbons present in the same solution and where gas chromatography separation times have been reduced from 40 to 5 min. For the latter, all compounds elute within 3.5 min, with structural isomers identified as the same compound. The 5-min analysis provides the foundation for rapid screening and on-line chemical measurements of multicomponent mixtures. Results are also presented where these same compounds are quantitatively analyzed in 10 min, with structural isomers identified individually, in the presence of a (25% v/v) weathered gasoline/engine oil mixture. Time-condensed complex mixture detection is now feasible making possible quantitative, high-throughput sample analyses.

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Iterative and function-continuation Fourier deconvolution methods for enhancing mass spectrometer resolution

Cited by 7 publications

References 30 publications

Optimization of the iterative deconvolution correction method applied to ionization chamber response for small field dosimetry measurements

Optimization of the iterative deconvolution correction method applied to ionization chamber response for small field dosimetry measurements

Use of Fourier Transform for Deconvolution of the Unresolved Envelope Observed in Electrospray Ionization Mass Spectrometry of Strongly Ionic Synthetic Polymers

Time-Condensed Analyses by Mass Spectrometry

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