scholarly journals Two-dimensional Infrared Spectroscopy Reveals Better Insights of Structure and Dynamics of Protein

Molecules ◽  
2021 ◽  
Vol 26 (22) ◽  
pp. 6893
Author(s):  
Kiran Sankar Maiti
Keyword(s):  
Protein Structure ◽  
Vibrational Spectroscopy ◽  
Structural Information ◽  
Living System ◽  
Ultrafast Dynamics ◽  
Two Dimensional ◽  
Biochemical Processes ◽  
Structure And Dynamics ◽  
2Dir Spectroscopy ◽  
Two Dimensional Infrared Spectroscopy

Proteins play an important role in biological and biochemical processes taking place in the living system. To uncover these fundamental processes of the living system, it is an absolutely necessary task to understand the structure and dynamics of the protein. Vibrational spectroscopy is an established tool to explore protein structure and dynamics. In particular, two-dimensional infrared (2DIR) spectroscopy has already proven its versatility to explore the protein structure and its ultrafast dynamics, and it has essentially unprecedented time resolutions to observe the vibrational dynamics of the protein. Providing several examples from our theoretical and experimental efforts, it is established here that two-dimensional vibrational spectroscopy provides exceptionally more information than one-dimensional vibrational spectroscopy. The structural information of the protein is encoded in the position, shape, and strength of the peak in 2DIR spectra. The time evolution of the 2DIR spectra allows for the visualisation of molecular motions.

scholarly journals Understanding the structure and dynamics of hydrogenases by ultrafast and two-dimensional infrared spectroscopy

2019 ◽  
Vol 10 (39) ◽  
pp. 8981-8989 ◽  
Author(s):  
Marius Horch ◽  
Janna Schoknecht ◽  
Solomon L. D. Wrathall ◽  
Gregory M. Greetham ◽  
Oliver Lenz ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Two Dimensional ◽  
Proof Of Concept ◽  
Concept Study ◽  
Structure And Dynamics ◽  
Two Dimensional Infrared Spectroscopy

A proof-of-concept study on a catalytic [NiFe] intermediate reveals structural and dynamical details of hydrogenases by ultrafast and two-dimensional infrared spectroscopies.

Ultrafast Dynamics of Carboxy-Hemoglobin: Two-Dimensional Infrared Spectroscopy Experiments and Simulations

2015 ◽  
Vol 6 (12) ◽  
pp. 2216-2222 ◽  
Author(s):  
Cyril Falvo ◽  
Louis Daniault ◽  
Thibault Vieille ◽  
Vincent Kemlin ◽  
Jean-Christophe Lambry ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Ultrafast Dynamics ◽  
Two Dimensional ◽  
Two Dimensional Infrared Spectroscopy

Acid–base equilibrium dynamics in methanol and dimethyl sulfoxide probed by two-dimensional infrared spectroscopy

2015 ◽  
Vol 17 (27) ◽  
pp. 17557-17561 ◽  
Author(s):  
Chiho Lee ◽  
Hyewon Son ◽  
Sungnam Park
Keyword(s):  
Infrared Spectroscopy ◽  
Dimethyl Sulfoxide ◽  
Acid Dissociation ◽  
Two Dimensional ◽  
Acid Base ◽  
Equilibrium Dynamics ◽  
Dissociation Equilibrium ◽  
Acid Base Equilibrium ◽  
2Dir Spectroscopy ◽  
Two Dimensional Infrared Spectroscopy

Two-dimensional infrared (2DIR) spectroscopy was successfully used to investigate the acid dissociation equilibrium of HN3 in methanol (CH3OH) and dimethyl sulfoxide (DMSO).

scholarly journals Differentiation between Enamines and Tautomerizable Imines Oxidation Reaction Mechanism using Electron-Vibration-Vibration Two Dimensional Infrared Spectroscopy

Molecules ◽  
2019 ◽  
Vol 24 (5) ◽  
pp. 869 ◽  
Author(s):  
Fengqin Long ◽  
Zheng Chen ◽  
Keli Han ◽  
Lu Zhang ◽  
Wei Zhuang
Keyword(s):  
Reaction Mechanism ◽  
Reaction Mechanisms ◽  
Theoretical Calculations ◽  
Two Dimensional ◽  
Oxidation Reactions ◽  
Spectral Signatures ◽  
Potential Strength ◽  
Chemical Reaction Mechanisms ◽  
2Dir Spectroscopy ◽  
Two Dimensional Infrared Spectroscopy

Intermediates lie at the center of chemical reaction mechanisms. However, detecting intermediates in an organic reaction and understanding its role in reaction mechanisms remains a big challenge. In this paper, we used the theoretical calculations to explore the potential of the electron-vibration-vibration two-dimensional infrared (EVV-2DIR) spectroscopy in detecting the intermediates in the oxidation reactions of enamines and tautomerizable imines with 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO). We show that while it is difficult to identify the intermediates from their infrared and Raman signals, the simulated EVV-2DIR spectra of these intermediates have well resolved spectral features, which are absent in the signals of reactants and products. These characteristic spectral signatures can, therefore, be used to reveal the reaction mechanism as well as monitor the reaction progress. Our work suggests the potential strength of EVV-2DIR technique in studying the molecular mechanism of organic reactions in general.

scholarly journals Insulin dimer dissociation and unfolding revealed by amide I two-dimensional infrared spectroscopy

2010 ◽  
Vol 12 (14) ◽  
pp. 3579-3588 ◽  
Author(s):  
Ziad Ganim ◽  
Kevin C. Jones ◽  
Andrei Tokmakoff
Keyword(s):  
Infrared Spectroscopy ◽  
Two Dimensional ◽  
2Dir Spectroscopy ◽  
Two Dimensional Infrared Spectroscopy

A structurally sensitive probe of the monomer/dimer equilibrium of insulin was developed using 2DIR spectroscopy and interpreted using calculated spectra.

Broadband two dimensional infrared spectroscopy of cyclic amide 2-Pyrrolidinone

2015 ◽  
Vol 17 (38) ◽  
pp. 24998-25003 ◽  
Author(s):  
Kiran Sankar Maiti
Keyword(s):  
Technological Development ◽  
Biological Molecules ◽  
Two Dimensional ◽  
Complex Molecules ◽  
The Past ◽  
Cyclic Amide ◽  
2Dir Spectroscopy ◽  
Physical And Chemical ◽  
Two Dimensional Infrared Spectroscopy ◽  
Half Decade

In the past one-and-a-half decade there has been a significant methodological and technological development of two dimensional infrared (2DIR) spectroscopy, which unfolds many underlying physical and chemical processes of complex molecules, especially for biological molecules.

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