Application of mathematical procedures to background correction and multivariate analysis in inductively coupled plasma-optical emission spectrometry

Veen, E.H. van; Loos-Vollebregt, M.T.C. de

doi:10.1016/s0584-8547(98)00109-8

Cited by 40 publications

(17 citation statements)

References 87 publications

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“…For example, the propagation of spectral noise is the limiting aspect in the use interferometry, where Fourier transforms are used to extract spectral information, in the UV-VIS portions of the electromagnetic spectrum. As a result, interferometry in ICP-OES can yield incredible wavelength precision, but noise distributed across the spectrum results in poor signal-to-noise characteristics [34,35]. The design of the Exactive Orbitrap instrument allows all ions above m/z ≈ 50 to enter the storage C-trap, eventually to be injected in to the Orbitrap cell.…”

Section: Role Of Fourier Transform Digitization Window Widthmentioning

confidence: 99%

Preliminary Figures of Merit for Isotope Ratio Measurements: The Liquid Sampling-Atmospheric Pressure Glow Discharge Microplasma Ionization Source Coupled to an Orbitrap Mass Analyzer

Hoegg

Barinaga

Hager

et al. 2016

J. Am. Soc. Mass Spectrom.

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Abstract. In order to meet a growing need for fieldable mass spectrometer systems for precise elemental and isotopic analyses, the liquid sampling-atmospheric pressure glow discharge (LS-APGD) has a number of very promising characteristics. One key set of attributes that await validation deals with the performance characteristics relative to isotope ratio precision and accuracy. Owing to its availability and prior experience with this research team, the initial evaluation of isotope ratio (IR) performance was performed on a Thermo Scientific Exactive Orbitrap instrument. While the mass accuracy and resolution performance for Orbitrap analyzers are well-documented, no detailed evaluations of the IR performance have been published. Efforts described here involve two variables: the inherent IR precision and accuracy delivered by the LS-APGD microplasma and the inherent IR measurement qualities of Orbitrap analyzers. Important to the IR performance, the various operating parameters of the Orbitrap sampling interface, high-energy collisional dissociation (HCD) stage, and ion injection/data acquisition have been evaluated. The IR performance for a range of other elements, including natural, depleted, and enriched uranium isotopes was determined. In all cases, the precision and accuracy are degraded when measuring low abundance (<0.1% isotope fractions). In the best case, IR precision on the order of 0.1% RSD can be achieved, with values of 1%-3% RSD observed for low-abundance species. The results suggest that the LS-APGD is a promising candidate for field deployable MS analysis and that the high resolving powers of the Orbitrap may be complemented with a here-to-fore unknown capacity to deliver high-precision IRs.

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Section: Role Of Fourier Transform Digitization Window Widthmentioning

confidence: 99%

Preliminary Figures of Merit for Isotope Ratio Measurements: The Liquid Sampling-Atmospheric Pressure Glow Discharge Microplasma Ionization Source Coupled to an Orbitrap Mass Analyzer

Hoegg

Barinaga

Hager

et al. 2016

J. Am. Soc. Mass Spectrom.

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“…Many numerical methods have been developed for estimation of varying background present in one-dimensional signals. Among these techniques are methods based on digital filters [50,45]. Such filters usually introduce artefacts and simultaneously distort the real signal.…”

Section: Baseline Correction By Penalized Quantile Regression Splinesmentioning

confidence: 99%

Nonparametric Pre-Processing Methods and Inference Tools for Analyzing Time-of-Flight Mass Spectrometry Data.

Antoniadis¹,

Bigot²,

Lambert-Lacroix³

et al. 2007

CAC

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The objective of this paper is to contribute to the methodology available for extracting and analyzing signal content from protein mass spectrometry data. Data from MALDI-TOF or SELDI-TOF spectra require considerable signal pre-processing such as noise removal and baseline level error correction. After removing the noise by an invariant wavelet transform, we develop a background correction method based on penalized spline quantile regression and apply it to MALDI-TOF (matrix assisted laser deabsorbtion time-of-flight) spectra obtained from serum samples. The results show that the wavelet transform technique combined with nonparametric quantile regression can handle all kinds of background and low signal-to-background ratio spectra; it requires no prior knowledge about the spectra composition, no selection of suitable background correction points, and no mathematical assumption of the background distribution. We further present a multi-scale based novel spectra alignment methodology useful in a functional analysis of variance method for identifying proteins that are differentially expressed between different type tissues. Our approaches are compared with several existing approaches in the recent literature and are tested on simulated and some real data. The results indicate that the proposed schemes enable accurate diagnosis based on the over-expression of a small number of identified proteins with high sensitivity.

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“…42,43 Procedures developed over the last decade, based on convolution, differentiation (DS), Fourier transforms, correlation, expert systems, neural networks, principal component analysis, projection methods, Kalman filtering, multiple linear regression and generalized standard additions were reviewed. 44 These procedures were applied for correcting spectral interference and processing more spectral information in inductively coupled plasma-optical emission spectrometry (ICP-OES). …”

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confidence: 99%

Recent Developments of Derivative Spectrophotometry and Their Analytical Applications

El‐Sayed

El-Salem

2005

ANAL. SCI.

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The zero-crossing derivative spectra method is the most common procedure for the simultaneous determination of binary mixtures of their overlapping spectra. As an example, the derivative spectra of binary mixtures of phospho-and silicomolybdenum blue are illustrated in Fig. 1. 23 By measuring the derivative values (heights h1 in Fig. 1) for mixtures of phosphate and silicate at 806 nm (zero-crossing wavelength of silicomolybdate complex), one can avoid the interference by silicate and the phosphate concentration can be determined. By measuring the derivative values (heights h2 in Fig. 1 Moreover, one disadvantage of the zero-crossing method is the necessity of selecting critical wavelengths for the measurements. This selection causes considerable loss of sensitivity and precision in case of binary mixtures. The so-called "ratio spectra derivative" permits the use of the wavelengths corresponding to maximum or minimum and also the use of the distance between consecutive maximum and minimum, thus avoiding these problems. 24 Salinas et al. 25 developed a derivative quotient spectra method with a standard divisor when the spectra of the components are overlapped. The method was based on dividing the spectrum for a mixture into the standard spectra for each of the analyses and driving the quotient to obtain a spectrum that is independent of the analyte concentration used as a divisor. The use of standardized spectra as divisors minimizes experimental errors and background noise. 26 An accurate choice of standard divisors and working wavelengths is fundamental for several reasons. 25,27,28 Easy measurements on separate peaks, higher values of the analytical signals and no need to work only at zero-crossing points (sometimes co-existing compounds have no maximum or minimum at these wavelengths) are advantages for ratio spectra derivative spectrophotometry in comparison with the zerocrossing derivative spectrophotometry. Also, the presence of a lot of maxima and minima in ratio spectra derivative data was another advantage, since these wavelengths give an opportunity for the determination of these compounds in the presence of other active compounds and excipients that possibly interfered with the assay. 29 2·1 Resolution of binary and ternary mixtures by applyingderivative ratio spectra (derivative quotient spectra) The absorption spectrum of a mixture of three compounds; A, B and C is determined by this equation:AM,λ i = εA,λ i CA + εB,λ i CB + εC,λ i CC (path-length is 1 cm)where, AM,λ i is the absorbance value of the mixture at wavelength λi, εA,λ i , εB,λ i and εC,λ i are the molar absorptivities of A, B and C at λi, CA, CP and CC are the molar concentrations of A, B and C, respectively. When we divide this spectrum by the spectrum of a standard solution of one of the components (e.g., A of concentration CA). That is bywe obtainThe first derivative of this spectrum ratio givesIf CC = 0, we have the binary mixture of A and B, and the spectrum in this case is:In Eq. (5) we can see that the derivative ratio spectrum of...

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Application of mathematical procedures to background correction and multivariate analysis in inductively coupled plasma-optical emission spectrometry

Cited by 40 publications

References 87 publications

Preliminary Figures of Merit for Isotope Ratio Measurements: The Liquid Sampling-Atmospheric Pressure Glow Discharge Microplasma Ionization Source Coupled to an Orbitrap Mass Analyzer

Preliminary Figures of Merit for Isotope Ratio Measurements: The Liquid Sampling-Atmospheric Pressure Glow Discharge Microplasma Ionization Source Coupled to an Orbitrap Mass Analyzer

Nonparametric Pre-Processing Methods and Inference Tools for Analyzing Time-of-Flight Mass Spectrometry Data.

Recent Developments of Derivative Spectrophotometry and Their Analytical Applications

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