Chemometrics

Lavine, Barry K.; Workman, Jerry

doi:10.1021/ac800728t

Cited by 92 publications

(55 citation statements)

References 139 publications

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“…Additionally, the software includes a well-developed chemometric analysis suite, designed for seamless creation of chemometric training sets and analysis with either principle component or partial least squares regressions (Faber and Rajkó, 2007; Heien et al, 2004; Heien et al, 2005; Hermans et al, 2008; Keithley et al, 2009; Lavine and Workman, 2008). These analyses are extremely useful for extracting information on monoamine concentrations in the presence of interference from pH and other species, especially in freely moving preparations.…”

Section: Methodsmentioning

confidence: 99%

Demon Voltammetry and Analysis software: Analysis of cocaine-induced alterations in dopamine signaling using multiple kinetic measures

Yorgason

España

Jones

2011

Journal of Neuroscience Methods

291

355

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The fast sampling rates of fast scan cyclic voltammetry make it a favorable method for measuring changes in brain monoamine release and uptake kinetics in slice, anesthetized, and freely moving preparations. The most common analysis technique for evaluating changes in dopamine signaling uses well-established Michaelis-Menten kinetic methods that can accurately model dopamine release and uptake parameters across multiple experimental conditions. Nevertheless, over the years, many researchers have turned to other measures to estimate changes in dopamine release and uptake, yet to our knowledge no systematic comparison amongst these measures has been conducted. To address this lack of uniformity in kinetic analyses, we have created the Demon Voltammetry and Analysis software suite, which is freely available to academic and non-profit institutions. Here we present an explanation of the Demon Acquisition and Analysis features, and demonstrate its utility for acquiring voltammetric data under in vitro, in vivo anesthetized, and freely moving conditions. Additionally, the software was used to compare the sensitivity of multiple kinetic measures of release and uptake to cocaine-induced changes in electrically evoked dopamine efflux in nucleus accumbens core slices. Specifically, we examined and compared tau, full width at half height, half-life, T20, T80, slope, peak height, calibrated peak dopamine concentration, and area under the curve to the well-characterized Michaelis-Menten parameters, dopamine per pulse, maximal uptake rate, and apparent affinity. Based on observed results we recommend tau for measuring dopamine uptake and calibrated peak dopamine concentration for measuring dopamine release.

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Section: Methodsmentioning

confidence: 99%

Demon Voltammetry and Analysis software: Analysis of cocaine-induced alterations in dopamine signaling using multiple kinetic measures

Yorgason

España

Jones

2011

Journal of Neuroscience Methods

291

355

View full text Add to dashboard Cite

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“…On the other hand, chemometric analysis of the spectral data helps chemists to obtain analytical information from the chemical system under study. 20,21 This is accompanied by the development of instruments delivering multivariate data (such as diode array detectors, fast scanning spectrometers in the UV-Vis-NIR or Fourier transform infrared spectroscopy instruments).…”

Section: 14mentioning

confidence: 99%

Absorbtion Spectroscopy, Molecular Dynamics Calculations, and Multivariate Curve Resolution on the Phthalocyanine Aggregation

Ajloo¹,

Ghadamgahi²,

Shaheri³

et al. 2014

Bulletin of the Korean Chemical Society

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Co(II)-tetrasulfonated phthalocyanine (CoTSP) is known to be aggregated to dimer at high concentration levels in water. A study on the aggregation of CoTSP using multivariate curve resolution analysis of the visible absorbance spectra over a concentration range of 30, 40 and 50 µM in the presence of dimethyl sulfoxide (DMSO), dimethyl formamide (DMF), acetonitrile (AN) and ethanol (EtOH) in the concentration range of 0 to 3.57 M is conducted. A hard modeling-based multivariate curve resolution method was applied to determine the dissociation constants of the CoTSP aggregates at various temperatures ranging from 25, 45 and 65°C and in the presence of various co-solvents. Dissociation constant for aggregation was increased and then decrease by temperature and concentration of phthalocyanine, respectively. Utilizing the vant Hoff relation, the enthalpy and entropy of the dissociation equilibriums were calculated. For the dissociation of both aggregates, the enthalpy and entropy changes were positive and negative, respectively. Molecular dynamics simulation of cosolvent effect on CoTSP aggregation was done to confirm spectroscopy results. Results of radial distribution function (RDF), root mean square deviation (RMSD) and distance curves confirmed more effect of polar solvent to decrease monomer formation.

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“…Since their introduction 5-10 , wavelets have received remarkable attention in fields as diverse [5][6][7][8][9][10][11][12][13][14][15][16][17][18][19] as seismic signal processing, magnetic resonance imaging, image analysis and reconstruction, neurophysiology, and analytical chemistry [20][21][22][23][24][25][26][27][28][29][30][31][32][33][34] . Furthermore, there are millions of hits on the web and software for wavelet transforms is commercially available.…”

Section: Theorymentioning

confidence: 99%

Application of wavelet transforms in de-noising optical emission transient signals generated from microsamples introduced into a microplasma and comparison with Fourier- and Hartley-transforms

Hunter

Karanassios

2011

SPIE Proceedings

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The application of wavelet transforms in de-noising optical emission transient, time-domain signals generated from microsamples introduced into an atmospheric-pressure microplasma-on-a-chip is described. The wavelet method of denoising transient signals is compared with traditional noise-filtering methods such as Fast Fourier Transform (FFT) and Fast Hartley Transform (FHT) signal processing. For the transient signals of interest to this work, the wavelet method proved to be superior to both the FFT and the FHT.

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Chemometrics

Cited by 92 publications

References 139 publications

Demon Voltammetry and Analysis software: Analysis of cocaine-induced alterations in dopamine signaling using multiple kinetic measures

Demon Voltammetry and Analysis software: Analysis of cocaine-induced alterations in dopamine signaling using multiple kinetic measures

Absorbtion Spectroscopy, Molecular Dynamics Calculations, and Multivariate Curve Resolution on the Phthalocyanine Aggregation

Application of wavelet transforms in de-noising optical emission transient signals generated from microsamples introduced into a microplasma and comparison with Fourier- and Hartley-transforms

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