scholarly journals Two-dimensional infrared correlation spectroscopy studies on secondary structures and hydrogen bondings of side chains of proteins

2003 ◽  
Vol 17 (2-3) ◽  
pp. 79-100 ◽  
Author(s):  
Yukihiro Ozaki ◽  
Koichi Murayama ◽  
Yuqing Wu ◽  
Boguslawa Czarnik-Matusewicz
Keyword(s):  
Secondary Structures ◽  
Correlation Spectroscopy ◽  
Side Chains ◽  
Two Dimensional ◽  
2D Ir ◽  
Intensity Changes ◽  
Specific Order ◽  
Spectroscopy Studies ◽  
2D Correlation Spectroscopy ◽  
Hydrogen Bondings

This review paper reports usefulness of two-dimensional (2D) correlation spectroscopy in analyzing infrared (IR) spectra of proteins in aqueous solutions. In the 2D approach, spectral peaks are spread over the second dimension, thereby simplifying the visualization of complex spectra consisting of many overlapped bands, and enhancing spectral resolution. 2D correlation spectroscopy has a powerful deconvolution ability for highly overlapped amide I, amide II, and amide III bands of proteins, enabling these bands to be assigned to various secondary structures. It also provides the specific order of the spectral intensity changes taking place during the measurement on the value of controlling variable affecting the spectra. Therefore, one can monitor the order of secondary structure variations in proteins by using 2D IR correlation spectroscopy. 2D correlation spectroscopy also provides new insight into the hydrogen bondings of side chains of proteins. In this review the principles and advantages of 2D correlation spectroscopy are outlined first and then three examples of the applications of 2D IR spectroscopy to protein research are presented.

Transient 2D IR Correlation Spectroscopy of the Photopolymerization of Acrylic and Epoxy Monomers

1993 ◽  
Vol 47 (9) ◽  
pp. 1337-1342 ◽  
Author(s):  
Tatsuhiko Nakano ◽  
Shigeru Shimada ◽  
Rieko Saitoh ◽  
Isao Noda
Keyword(s):  
Fourier Transform ◽  
Real Time ◽  
Correlation Spectroscopy ◽  
Spectral Intensity ◽  
Two Dimensional ◽  
2D Ir ◽  
Intensity Changes ◽  
Ft Ir ◽  
Arbitrary Waveform ◽  
Reaction Processes

Transient two-dimensional infrared (2D IR) correlation spectroscopy coupled with real-time Fourier transform infrared (RT FT-IR) measurement was used to analyze the reaction processes of photopolymerization systems. Unlike the previously developed 2D IR methods based on sinusoidally varying IR signals, a newly developed 2D correlation formalism applicable to transient spectroscopic signals having an arbitrary waveform was used. By this method, features associated with spectral intensity changes and peak shifts arising from polymerization reactions were clearly observed.

scholarly journals A two‒dimensional IR spectroscopic (2D‒IR) simulation of protein conformational changes

2004 ◽  
Vol 18 (1) ◽  
pp. 49-58 ◽  
Author(s):  
José Luis R. Arrondo ◽  
Ibon Iloro ◽  
Julián Aguirre ◽  
Félix M. Goñi
Keyword(s):  
Conformational Changes ◽  
Intensity Variation ◽  
Correlation Spectroscopy ◽  
Two Dimensional ◽  
2D Ir ◽  
Symmetric Pattern ◽  
Band Position ◽  
Intensity Changes ◽  
Novel Method ◽  
Ir Spectroscopic

Two‒dimensional IR correlation spectroscopy (2D‒IR) is a novel method that provides the analysis of infrared spectra with the capacity to differentiate overlapping peaks and to distinguish between in‒phase and out‒of‒phase spectral responses. Artificial spectra originated from protein amide I band component parameters have been used to study their variation in the correlation maps. Using spectra composed of one, two or three Gaussian peaks, behaviour patterns of the bands in the synchronous and asynchronous maps have been originated, with changes in intensity, band position and bandwidth. Intensity changes produce high‒intensity spots in the synchronous spectra, whereas only noise is observed in the asynchronous spectra. Band shifting originates more complex patterns. In synchronous spectra, several spots are generated at the beginning and at the end of the shifting band. Also, characteristic asynchronous spectra with butterfly‒like shapes are formed showing the trajectory of the shift. Finally, synchronous maps corresponding to band broadening reveal several spots at peak inflection points, related to the zones with higher intensity variation. The asynchronous spectra are very complex but they follow a characteristic symmetric pattern. Furthermore, examples of maps obtained from polypeptides and proteins using temperature as the perturbing factor are interpreted in terms of the patterns obtained from artificial bands.

Two-Dimensional Infrared Spectroscopy and Principal Component Analysis Studies on a New Azobenzene Derivative Supramolecular System Based on Hydrogen Bonds

2003 ◽  
Vol 57 (8) ◽  
pp. 933-942 ◽  
Author(s):  
Yuqing Wu ◽  
Ya-Qiong Hao ◽  
Min Li ◽  
Chaowei Guo ◽  
Yukihiro Ozaki
Keyword(s):  
Principal Component Analysis ◽  
Hydrogen Bonds ◽  
Supramolecular Assembly ◽  
Principal Component ◽  
Correlation Spectroscopy ◽  
Supramolecular System ◽  
Two Dimensional ◽  
Temperature Dependent ◽  
2D Correlation Spectroscopy ◽  
2D Correlation Analysis

Infrared (IR) spectra of a supramolecular assembly with an azobenzene derivative and intermolecular hydrogen bonds have been measured in the temperature range from 30 to 200 °C to investigate heat-induced structural changes and thermal stability. Principal component analysis (PCA) and two kinds of two-dimensional (2D) correlation spectroscopy, variable–variable (VV) 2D and sample–sample (SS) 2D spectroscopy, have been employed to analyze the observed temperature-dependent spectral variations. The PCA and SS 2D correlation analyses have demonstrated that the complete decoupling of hydrogen bonds in the supramolecular assembly occurs between 110 and 115 °C, which is in good agreement with the results of a differential scanning calorimetry (DSC) study for the heating process. The PCA of the IR spectra in the region of 3600–3100 cm−1 has illustrated that there are at least four principal components for the different NH2 and CONH species in the present supramolecular system. The VV 2D correlation spectroscopy study has provided information about the structure and strength of hydrogen bonds of NH2 and CONH groups and their temperature-dependent variations. The different species of hydrogen-bonded NH2 and CONH groups in the supramolecular system can be clarified by the VV 2D correlation analysis. The VV 2D correlation analysis has also revealed the specific order of the temperature-induced changes in the hydrogen bonds of NH2 and CONH groups.

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