Reaction monitoring using Raman spectroscopy and chemometrics

Svensson, Olof; Josefson, Mats; Langkild̄e, Frans W.

doi:10.1016/s0169-7439(99)00025-8

Cited by 71 publications

(51 citation statements)

References 21 publications

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“…PCA (Svensson et al 1999;Shenton et al 2000;Malinowski 2002) was used to determine the number of principal components in each set of spectra. AFA for all data matrices was performed using algorithms described by Malinowski (2002) and Wise et al (2005).…”

Section: Chemometric Analysismentioning

confidence: 99%

The first step of hen egg white lysozyme fibrillation, irreversible partial unfolding, is a two‐state transition

Shashilov

Ermolenkov

et al. 2007

Protein Science

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Amyloid fibril depositions are associated with many neurodegenerative diseases as well as amyloidosis. The detailed molecular mechanism of fibrillation is still far from complete understanding. In our previous study of in vitro fibrillation of hen egg white lysozyme, an irreversible partially unfolded intermediate was characterized. A similarity of unfolding kinetics found for the secondary and tertiary structure of lysozyme using deep UV resonance Raman (DUVRR) and tryptophan fluorescence spectroscopy leads to a hypothesis that the unfolding might be a two-state transition. In this study, chemometric analysis, including abstract factor analysis (AFA), target factor analysis (TFA), evolving factor analysis (EFA), multivariate curve resolutionalternating least squares (ALS), and genetic algorithm, was employed to verify that only two principal components contribute to the DUVRR and fluorescence spectra of soluble fraction of lysozyme during the fibrillation process. However, a definite conclusion on the number of conformers cannot be made based solely on the above spectroscopic data although chemometric analysis suggested the existence of two principal components. Therefore, electrospray ionization mass spectrometry (ESI-MS) was also utilized to address the hypothesis. The protein ion charge state distribution (CSD) envelopes of the incubated lysozyme were well fitted with two principal components. Based on the above analysis, the partial unfolding of lysozyme during in vitro fibrillation was characterized quantitatively and proven to be a two-state transition. The combination of ESI-MS and Raman and fluorescence spectroscopies with advanced statistical analysis was demonstrated to be a powerful methodology for studying protein structural transformations.

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Section: Chemometric Analysismentioning

confidence: 99%

The first step of hen egg white lysozyme fibrillation, irreversible partial unfolding, is a two‐state transition

Shashilov

Ermolenkov

et al. 2007

Protein Science

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“…Others methods are used to link the spectra evolution with species concentration to establish a calibration law. Chemometric analysis is widely used in IR spectroscopy [16] and more and more in Raman studies [8,17].…”

Section: Principal Components Analysismentioning

confidence: 99%

“…RS is particularly adapted for liquid analysis, allowing fast and in-situ measurements (no sampling) and gives rise to a simultaneous detection of several ions in solutions. Moreover, RS associated with chemometric methods [8] gives rise to an efficient probe for water monitoring.…”

mentioning

confidence: 99%

Raman probe for the simultaneous measurement of anion concentration in mixtures of salt solutions

2013

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“…Since the first reports in 1928 [1,2], Raman spectroscopy has played an increasingly important role in chemometrics [3,4], material science [5][6][7][8], life science [9][10][11][12], quality control in industrial processes [13,14] and recently in nanostructure characterization [15][16][17]. The advent of laser as an intense and monochromatic source of excitation light improved the Raman signals dramatically [18][19][20].…”

Section: Introductionmentioning

confidence: 99%

Organic semiconductor distributed feedback (DFB) laser as excitation source in Raman spectroscopy

Liu¹,

Stefanou²,

Wang³

et al. 2013

Opt. Express

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Abstract:As an application of organic semiconductor distributed feedback (DFB) lasers we demonstrate their use as excitation sources in Raman spectroscopy. We employed an efficient small molecule blend, a high quality resonator and a novel encapsulation method resulting in an improved laser output power, a reduced laser line width and an enhanced power stability. Based on theses advances, Raman spectroscopy on selected substances was enabled. Raman spectra of sulfur and cadmium sulfide are presented and compared with the ones excited by a helium-neon laser. We also fabricated a spectrally tunable organic semiconductor DFB laser to optimize the Raman signals for a given optical filter configuration.

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Reaction monitoring using Raman spectroscopy and chemometrics

Cited by 71 publications

References 21 publications

The first step of hen egg white lysozyme fibrillation, irreversible partial unfolding, is a two‐state transition

The first step of hen egg white lysozyme fibrillation, irreversible partial unfolding, is a two‐state transition

Raman probe for the simultaneous measurement of anion concentration in mixtures of salt solutions

Organic semiconductor distributed feedback (DFB) laser as excitation source in Raman spectroscopy

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