Raman Imaging Spectroscopy: History, Fundamentals and Current Scenario of the Technique

Raman imaging spectroscopy is a relatively new technique that has raised interest in several areas of knowledge due to the possibility of evaluating the spatial distribution of compounds based on their spectra. This paper presents a brief history of the development of this important technique, a theoretical description of the Raman effect and the preprocessing and processing (both univariate and multivariate) tools for Raman data. We also describe the current state of applications for major areas such as agriculture/biomass, environment, biology, medicine, pharmaceutical, geology, foodstuff, artwork, archaeology, material characterization and forensic.

Keywords:
Raman imaging; Raman mapping; Raman spectroscopy; chemical imaging

Authorship

Hery Mitsutake

Departamento de Química Analítica, Instituto de Química, Universidade Estadual de Campinas (Unicamp), 13084-971 Campinas-SP, BrazilUniversidade Estadual de CampinasBrazilCampinas, SP, BrazilDepartamento de Química Analítica, Instituto de Química, Universidade Estadual de Campinas (Unicamp), 13084-971 Campinas-SP, Brazil

Hery Mitsutake has earned her bachelor’s in industrial chemistry and her master’s degree in Chemistry at the Institute of Chemistry, Federal University of Uberlândia (UFU), Brazil. In 2019, she received her PhD’s degree in Science at the Institute of Chemistry, State University of Campinas (Unicamp, Brazil). She is a post-doctoral researcher at Institute of Biology (Unicamp, Brazil) since March 2019. Her current research focuses on evaluation of the miscibility of lipid excipients for pharmaceutical formulations using Raman imaging and chemometric methods.

Ronei J. Poppi

Ronei Jesus Poppi is full Professor at Institute of Chemistry, State University of Campinas (Unicamp, Brazil). He is head of the Laboratory of Chemometrics in Analytical Chemistry and member of the National Institute of Science and Technology for Bioanalytics. He has been working for several years on the development and application of chemometric tools, such as pattern recognition, multivariate calibration, multivariate curve resolution and learning machine for data treatment of instrumental analytical techniques, mainly near-infrared spectroscopy and Raman spectroscopy.

Márcia C. Breitkreitz ^**e-mail: marciacb@unicamp.br

Márcia Cristina Breitkreitz was a senior researcher in Chemometrics (2006-2007) and coordinator of Research and Development (2007- 2009) at the International Institute of Pharmaceutical Research (IIPF, Brazil). She received her PhD in Chemistry from the State University of Campinas (Unicamp, Brazil) in 2013. She is a Professor of Analytical Chemistry at Unicamp and coordinates the Laboratory of Pharmaceutical Research and Chemometrics (LabFarQui). Her major interests are related to chemometrics applied to the development of analytical methods based on liquid chromatography and vibrational spectroscopy and development of pharmaceutical products and processes according to the strategy of Quality by Design (QbD).

https://orcid.org/0000-0002-0596-9692

*e-mail: marciacb@unicamp.br

Hery Mitsutake has earned her bachelor’s in industrial chemistry and her master’s degree in Chemistry at the Institute of Chemistry, Federal University of Uberlândia (UFU), Brazil. In 2019, she received her PhD’s degree in Science at the Institute of Chemistry, State University of Campinas (Unicamp, Brazil). She is a post-doctoral researcher at Institute of Biology (Unicamp, Brazil) since March 2019. Her current research focuses on evaluation of the miscibility of lipid excipients for pharmaceutical formulations using Raman imaging and chemometric methods.

Ronei Jesus Poppi is full Professor at Institute of Chemistry, State University of Campinas (Unicamp, Brazil). He is head of the Laboratory of Chemometrics in Analytical Chemistry and member of the National Institute of Science and Technology for Bioanalytics. He has been working for several years on the development and application of chemometric tools, such as pattern recognition, multivariate calibration, multivariate curve resolution and learning machine for data treatment of instrumental analytical techniques, mainly near-infrared spectroscopy and Raman spectroscopy.

Márcia Cristina Breitkreitz was a senior researcher in Chemometrics (2006-2007) and coordinator of Research and Development (2007- 2009) at the International Institute of Pharmaceutical Research (IIPF, Brazil). She received her PhD in Chemistry from the State University of Campinas (Unicamp, Brazil) in 2013. She is a Professor of Analytical Chemistry at Unicamp and coordinates the Laboratory of Pharmaceutical Research and Chemometrics (LabFarQui). Her major interests are related to chemometrics applied to the development of analytical methods based on liquid chromatography and vibrational spectroscopy and development of pharmaceutical products and processes according to the strategy of Quality by Design (QbD).

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Figures | Formulas

Figures (7)
Formulas (4)

Thumbnail

Figure 1
Data cube obtained by Raman imaging spectroscopy.

Thumbnail

Figure 2
Schematic illustration of absorption in middle infrared (IR), Rayleigh scattering, Stokes scattering, anti-Stokes scattering and fluorescence. The upward arrows represent the excitation while downward arrows indicate the emission.

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Figure 3
(a) Point mapping, (b) line-scanning mapping and (c) imaging.

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Figure 4
Variation of Raman data treatment over the time (2006-2017).

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Figure 5
Different forms of univariate analysis: (a) intensity, (b) area, (c) ratio between intensities and (d) gaussian function fit.

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Figure 6
Generation of chemical images (a) without and (b) with calibration methods.

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Figure 7
Number of published articles using Raman imaging from 2006 to January 2019.

(1)

(2)

(3)

(4)

Figure 1 Data cube obtained by Raman imaging spectroscopy.

Figure 2 Schematic illustration of absorption in middle infrared (IR), Rayleigh scattering, Stokes scattering, anti-Stokes scattering and fluorescence. The upward arrows represent the excitation while downward arrows indicate the emission.

Figure 3 (a) Point mapping, (b) line-scanning mapping and (c) imaging.

Figure 4 Variation of Raman data treatment over the time (2006-2017).

Figure 5 Different forms of univariate analysis: (a) intensity, (b) area, (c) ratio between intensities and (d) gaussian function fit.

Figure 6 Generation of chemical images (a) without and (b) with calibration methods.

Figure 7 Number of published articles using Raman imaging from 2006 to January 2019.

(1)

X = {TP}^{T} + E

(2)

\vec{r} = x + n = M γ \vec{α} + n

(3)

X = {CS}^{T} + E

(4)

Y = X \vec{b} + E

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Raman Imaging Spectroscopy: History, Fundamentals and Current Scenario of the Technique

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[1] *e-mail: marciacb@unicamp.br