Emerging developments in two-dimensional correlation spectroscopy (2D-COS)

Park, Yeonju; Jin, Sila; Noda, Isao; Jung, Young Mee

doi:10.1016/j.molstruc.2020.128405

Cited by 64 publications

(21 citation statements)

References 340 publications

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“…The experimental preparation of a solution series that would allow the use of the three-way method of spectra isolation turned out to be easier than expected, yet more laborious. It is in fact similar to that proposed by Noda in his work concerning 2D-FTIR spectroscopy [38,39] or the difference spectra method developed by Stangret [9,40]. Both of these methods rely on the introduction of external change (here, mainly a change in solute concentration) to a system (i.e., a mixture of a solvent and and/or two solutes).…”

Section: Introductionmentioning

confidence: 75%

Interactions in Ternary Aqueous Solutions of NMA and Osmolytes—PARAFAC Decomposition of FTIR Spectra Series

Kaczkowska

Panuszko

Bruździak

2021

IJMS

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Intermolecular interactions in aqueous solutions are crucial for virtually all processes in living cells. ATR-FTIR spectroscopy is a technique that allows changes caused by many types of such interactions to be registered; however, binary solutions are sometimes difficult to solve in these terms, while ternary solutions are even more difficult. Here, we present a method of data pretreatment that facilitates the use of the Parallel Factor Analysis (PARAFAC) decomposition of ternary solution spectra into parts that are easier to analyze. Systems of the NMA–water–osmolyte-type were used to test the method and to elucidate information on the interactions between N-Methylacetamide (NMA, a simple peptide model) with stabilizing (trimethylamine N-oxide, glycine, glycine betaine) and destabilizing osmolytes (n-butylurea and tetramethylurea). Systems that contain stabilizers change their vibrational structure to a lesser extent than those with denaturants. Changes in the latter are strong and can be related to the formation of direct NMA–destabilizer interactions.

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Section: Introductionmentioning

confidence: 75%

Interactions in Ternary Aqueous Solutions of NMA and Osmolytes—PARAFAC Decomposition of FTIR Spectra Series

Kaczkowska

Panuszko

Bruździak

2021

IJMS

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show abstract

Section: Introductionmentioning

confidence: 99%

“…11 Since the spectral resolution is enhanced by spreading the overlapped bands over the second dimension, this technology can be used to identify the spectral features caused by different kinds of vibration, which are difficult to distinguish in the original data set. 7,9,12 It can also be used to study intermolecular interactions. [13][14][15] As an extension of conventional 2D correlation analysis, disrelation mapping, proposed by Shinzawa et al in 2017, is a technique to highlight the specific areas where disrelated variation occurs between Wavenumber 1 (n 1 ) and Wavenumber 2 (n 2 ).…”

Section: Introductionmentioning

confidence: 99%

Intermolecular Interactions in the Polymer Blends Under High-Pressure CO₂ Studied Using Two-Dimensional Correlation Analysis and Two-Dimensional Disrelation Mapping

Shinzawa

Kazarian

2021

Appl Spectrosc

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Exposing polymers to high-pressure and supercritical CO2 is a useful approach in polymer processing. Consequently, the mechanisms of polymer-polymer interaction under such conditions are worthy of further investigation. Two-dimensional (2D) correlation analysis and 2D disrelation mapping were applied to datasets of PCL(Polycaprolactone)/PLA (Poly(lactic acid)) blend with or without high-pressure CO2 obtained by in situ ATR-FTIR spectroscopic imaging. The relatively weak dipole-dipole intermolecular interactions between polymer molecules were visualized through the disrelation maps for the first time. Because of the specially designed polymer interface, the interactions between the same type of polymer molecules and different types of polymer molecules were differentiated. Under exposure to high-pressure CO2, all three types of interactions: interaction between PCL molecules and PLA molecules, interaction between PCL molecules and interaction between PLA molecules become weaker than those in the polymer interface without high-pressure CO2. The resulting increase in the Flory interaction parameter is the main cause of phase separation in the PCL/PLA blend under high-pressure CO2. The findings from this study will be of benefit for polymer processing with high-pressure and supercritical CO2.

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“…Several techniques, including moving window 2D-COS, have further advanced the comprehensive interpretation of the results. [4][5][6] Over the last few years, the original 2D-COS method 7 has been repeatedly updated according to a particular phenomenon under investigation. For example, two-trace twodimensional correlation spectroscopy (2T2D-COS) was used by Yang et al 8 to discriminate between pure sesame oil and its adulterations with corn oil.…”

Section: Introductionmentioning

confidence: 99%

“…Several techniques, including moving window 2D-COS, have further advanced the comprehensive interpretation of the results. 4–6…”

Section: Introductionmentioning

confidence: 99%

Distinguishing Resonant from Non-Resonant Nonlinear Optical Processes Using Intensity–Intensity Correlation Analyses

2021

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Three-color coherent anti-Stokes Raman scattering (CARS) represents non-degenerate four wave mixing that includes both non-resonant and resonant processes, the contributions of which depend upon how the molecular vibrational modes are being excited by the input laser pulses. The scattering signal due to resonant processes builds up progressively. An advanced analytical tool to reveal this deferred resonant signal buildup phenomenon is in need. In this work, we adapt a quantitative analytical tool by introducing one-dimensional and two-dimensional intensity–intensity correlation functions in terms of a new variable (probe pulse delay) and a new perturbation parameter (probe pulse linewidth). In particular, discrete diagonal directional sums are defined here as a tool to reduce both synchronous and asynchronous two-dimensional correlation spectroscopy (2D-COS) maps down to one-dimensional plots while maintaining the valuable analytical information. Detailed analyses using the all-Gaussian coherent Raman scattering closed-form solutions and the representative experimental data for resonant and non-resonant processes are presented and compared. The present work holds a promising potential for industrial application, e.g., by extractive industries to distinguish hydrocarbons (chemically resonant substance) from water (non-resonant contaminant) by utilizing the one- and two-dimensional correlation analyses.

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Emerging developments in two-dimensional correlation spectroscopy (2D-COS)

Cited by 64 publications

References 340 publications

Interactions in Ternary Aqueous Solutions of NMA and Osmolytes—PARAFAC Decomposition of FTIR Spectra Series

Interactions in Ternary Aqueous Solutions of NMA and Osmolytes—PARAFAC Decomposition of FTIR Spectra Series

Intermolecular Interactions in the Polymer Blends Under High-Pressure CO₂ Studied Using Two-Dimensional Correlation Analysis and Two-Dimensional Disrelation Mapping

Distinguishing Resonant from Non-Resonant Nonlinear Optical Processes Using Intensity–Intensity Correlation Analyses

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Emerging developments in two-dimensional correlation spectroscopy (2D-COS)

Cited by 64 publications

References 340 publications

Interactions in Ternary Aqueous Solutions of NMA and Osmolytes—PARAFAC Decomposition of FTIR Spectra Series

Interactions in Ternary Aqueous Solutions of NMA and Osmolytes—PARAFAC Decomposition of FTIR Spectra Series

Intermolecular Interactions in the Polymer Blends Under High-Pressure CO2 Studied Using Two-Dimensional Correlation Analysis and Two-Dimensional Disrelation Mapping

Distinguishing Resonant from Non-Resonant Nonlinear Optical Processes Using Intensity–Intensity Correlation Analyses

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Product

Resources

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Intermolecular Interactions in the Polymer Blends Under High-Pressure CO₂ Studied Using Two-Dimensional Correlation Analysis and Two-Dimensional Disrelation Mapping