Automatic standardization method for Raman spectrometers with applications to pharmaceuticals

Chen, Hui; Zhang, Zhimin; Li, Miao; Zhan, De-Jian; Zheng, Yi-Bao; Liu, Yan; Lu, Feng; Liang, Yi‐Zeng

doi:10.1002/jrs.4602

Cited by 19 publications

(16 citation statements)

References 45 publications

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“…described an automatic standardization method for Raman spectrometers with applications to pharmaceuticals. They show that the similarity of pharmaceutical spectra acquired on three Raman spectrometers is considerably improved after removal of the Raman shift difference . Chou described that calibration of Raman shifts of cyclohexane for quantitative analyses of methane density in natural and synthetic fluid inclusions.…”

Section: Special Raman Techniques and Methodsmentioning

confidence: 99%

Recent advances in linear and non‐linear Raman spectroscopy. Part X

Nafie

2016

J Raman Spectroscopy

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This review, published annually, provides an overview of advances in the field of Raman spectroscopy as found in papers published in the preceding calendar year in the Journal of Raman Spectroscopy (JRS), as well as in trends over the past decade across journals that have published papers important to the field of Raman spectroscopy. This information is obtained from statistical data on article counts obtained from Thomson Reuters ISI Web of Science Core Collection by year and by subfield of Raman spectroscopy. Additional information is gleaned from presentations at the XXV International Conference on Raman Spectroscopy (ICORS 2016) in Forteleza, Brazil in August 2016 and those featuring Raman scattering at SCIX 2016 organized by the Federation of Analytical Chemistry and Spectroscopy Societies (FACSS) in Minneapolis, Minnesota, USA in September 2016. Coverage is also provided for topics from the conference ECONOS 2016 held in April in Göteborg, Sweden and GeoRaman 2016 in June in Novosibirsk, Russia. Finally, papers published in JRS in 2015 are highlighted and arragned by topics at the frontier of Raman spectroscopy. From these various perspectives, it is clear that Raman spectroscopy continues to be a rapidly expanding field that provides sensitive photonic information of matter at the molecular level in an ever‐widening arena of novel applications. Copyright © 2016 John Wiley & Sons, Ltd.

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Section: Special Raman Techniques and Methodsmentioning

confidence: 99%

Recent advances in linear and non‐linear Raman spectroscopy. Part X

Nafie

2016

J Raman Spectroscopy

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“…It should be noted that the vendors for all the systems used have already performed the correction using polynomial fitting to compensate the non-linear difference between Raman shifts and the corresponding CCD channels. 1,2,12,13,15,16,22 Therefore, only constant offset correction was applied in this study. In addition, most users usually calibrate their systems using offset correction based on Si substrates or other materials.…”

Section: Differences In Niqr Improvements Using Raman Shifts Of Diffementioning

confidence: 99%

“…The reliability of library search results is, thus, somewhat questionable because the data obtained for different analytical systems are commonly different. [12][13][14][15][16] Raman spectrometers are usually calibrated prior to measurements, and the protocol and frequency of the calibration depend on the accuracy required in the experiment itself. Elemental emission lines such as Ne and Raman shifts of wellcharacterized materials are commonly used for calibration.…”

Section: Introductionmentioning

confidence: 99%

Baseline Assessment for the Consistency of Raman Shifts Acquired with 26 Different Raman Systems and Necessity of a Standardized Calibration Protocol

2019

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Although Raman shifts originate from molecular vibrations and in theory must be independent of analytical systems, acquired Raman shifts, in practice, are not so. Since the consistency of Raman shifts acquired with different systems has not been investigated previously, we have compared the Raman spectra of polystyrene, benzonitrile, and cyclohexane obtained with 26 different systems. The medians of 26 measurements for the characteristic peaks were found to be 1001.3, 1001.1, and 802.0 cm-1 for polystyrene, benzonitrile, and cyclohexane, respectively, and were consistent with their corresponding ASTM E1840 values, which have been widely used for the calibration of Raman systems. However, only 16 measurements of the Raman shift of the polystyrene peak (1001.4 cm-1) met the tolerance standard of the European Pharmacopoeia (±1.5 cm-1). Thus, consistency of Raman shifts obtained using different systems is low, and this mainly originates from differences in the Raman systems rather than materials. Although correction of the offset using the Raman shift of the peaks of cyclohexane (802.0 or 2852.4 cm-1) could improve the consistency of the Raman shifts acquired with different systems, the magnitude of improvement was not uniform over the range of shift values. Thus, there is a need for a standardized calibration protocol that can be used for multiple Raman shifts of common materials to improve the consistency of Raman shifts for different systems.

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“…The difficulty in comparing spectra that have been recorded across different instruments is one of the main obstacles in the development of Raman spectroscopy for many applications and to its clinical acceptance, and in recent years a number of different protocols have been proposed to address this key issue. [16][17][18][19][20] Intensity calibration and wavenumber calibration are the main subjects of these protocols. This paper is concerned only with wavenumber calibration.…”

Section: Introductionmentioning

confidence: 99%

Investigation of wavenumber calibration for Raman spectroscopy using a polymer standard

Liu

Byrne

O’Neill³

et al. 2018

Optical Sensing and Detection V

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Raman spectroscopy is an optical technique that can be used to evaluate the biomolecular composition of tissue and cell samples in a real-time and non-invasive manner. Subtle differences between datasets of spectra obtained from related cell groups can be identified using multivariate statistical algorithms. Such techniques are highly sensitive to small errors, however, and, therefore, the classification sensitivity of Raman spectroscopy can be significantly impacted by miscalibration of the optical system due to small misalignments of the optical elements and/or variation in ambient temperature. Wavenumber calibration is often achieved by recording the spectrum from a wavenumber reference standard, such as 4-acetamidophenol or benzene, which contains numerous sharp peaks in the fingerprint region. Here, we investigate a commercial polymer slide as a wavenumber reference standard for the calibration of Raman spectra. The Raman spectrum of this slide contains numerous sharp peaks in the fingerprint region. Unlike many other reference standards, the polymer slide is non-hazardous, has an indefinite lifetime, and is designed in the shape of a glass slide used for microscopy. We evaluate this reference in terms of accuracy and repeatability, and we compare with the established 4-Acetamidophenol wavenumber reference.

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Automatic standardization method for Raman spectrometers with applications to pharmaceuticals

Cited by 19 publications

References 45 publications

Recent advances in linear and non‐linear Raman spectroscopy. Part X

Recent advances in linear and non‐linear Raman spectroscopy. Part X

Baseline Assessment for the Consistency of Raman Shifts Acquired with 26 Different Raman Systems and Necessity of a Standardized Calibration Protocol

Investigation of wavenumber calibration for Raman spectroscopy using a polymer standard

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