Ultrafast 2D IR Vibrational Echo Spectroscopy

Zheng, Junrong; Kwak, Kyungwon; Fayer, M. D.

doi:10.1002/chin.200716280

Cited by 9 publications

(13 citation statements)

References 35 publications

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“…The isotope label appears near 1590 cm −1 and is highlighted with a red arrow in the magnitude spectra. We found in our previous work on the CD3ζ transmembrane peptide (Mukherjee et al, 2006a; Mukherjee et al, 2006b; Mukherjee et al, 2004) that the diagonal linewidths of membrane peptides reflect the disorder of their surrounding electrostatic environments and that one of the biggest factors is the carbonyl’s contact with water, which changes the amount of inhomogeneous broadening (Fang and Hochstrasser, 2005; Fang et al, 2006; Zheng et al, 2007). Since M2 is a transmembrane bundle like CD3ζ, we expect that the diagonal linewidths will scale with the depth of the residue in the bilayer since the lipid tails only weakly interact with the peptide backbone.…”

Section: Resultsmentioning

confidence: 99%

Gating Mechanism of the Influenza A M2 Channel Revealed by 1D and 2D IR Spectroscopies

et al. 2009

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Summary The pH-controlled M2 protein from Influenza is a critical component of the virus, serving as a target for aminoadamantane anti-flu agents that block its H+ channel activity. To better understand its H+-gating mechanism, we investigated M2 in lipid bilayers with a new combination of IR spectroscopies and theory. Linear FTIR spectroscopy was utilized to measure the precise orientation of the backbone carbonyl groups, and 2D-IR spectroscopy was utilized to identify channel-lining residues. At low pH (open-state), our results match previously published ss-NMR and X-ray structures remarkably well. However, at neutral pH (closed-state), our measurements point to a large conformational change, that is consistent with the transmembrane α-helices rotating by one amino acid register: a structural rearrangement not previously observed. The combination of isotope-labelled FTIR and 2D-IR spectroscopies, alongside simulations, provides a non-invasive mean of interrogating structures of membrane proteins in general and ion channels in particular.

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Section: Resultsmentioning

confidence: 99%

Gating Mechanism of the Influenza A M2 Channel Revealed by 1D and 2D IR Spectroscopies

et al. 2009

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“…Therefore, many other methods will simply be mentioned. Three pulse photon echo peak shift spectroscopy, 36,37 ultrafast two-dimensional vibrational echo spectroscopy, 38 single molecule fluorescence spectroscopy, 39,40 and neutron diffraction [41][42][43] are all important methods that have advanced our understanding of dynamic processes in peptides and proteins. These techniques are somewhat complex and require extensive expertise.…”

Section: Methods To Monitor Protein Flexibilitymentioning

confidence: 99%

The Complex Inter-Relationships Between Protein Flexibility and Stability

Kamerzell¹,

Middaugh²

2008

Journal of Pharmaceutical Sciences

108

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“…2D-IR spectroscopy was one of the first methods used to investigate the vibrational properties of liquids, and it has helped address topics that include structural fluctuations in water, [1][2][3][4] proton shuttling in acidic solutions 5,6 and protein dynamics. [7][8][9] While 2D-IR has proven useful for studying highfrequency vibrational modes, there is strong motivation to extend multidimensional spectroscopy to the low-frequency regime.…”

Section: Introductionmentioning

confidence: 99%

Interpretation of the THz-THz-Raman Spectrum of Bromoform

et al. 2019

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Nonlinear THz-THz-Raman (TTR) liquid spectroscopy offers new possibilities for studying and understanding condensed-phase chemical dynamics. Although TTR spectra carry rich information about the systems under study, the response is encoded in a three-point correlation function comprising of both dipole and polarizability elements. Theoretical methods are necessary for the interpretation of the experimental results. In this work, we study the liquid-phase dynamics of bromoform, a polarizable molecule with a strong TTR response. Previous work based on reduced density matrix (RDM) simulations suggests that unusually large multi-quanta dipole matrix elements are needed to understand the measured spectrum of bromoform. Here, we demonstrate that a self-consistent definition of the time coordinates with respect to the reference pulse leads to a simplified experimental spectrum. Furthermore, we analytically derive a parametrization for the RDM model by integrating the dipole and polarizability elements to the 4 th order in the normal modes, and we enforce inversion symmetry in the calculations by numerically cancelling the components of the response that are even with respect to the field. The resulting analysis eliminates the need to invoke large multi-quanta dipole matrix elements to fit the experimental spectrum; instead, the experimental spectrum is recovered using RDM simulations with dipole matrix parameters that are in agreement with independent ab initio calculations. The fundamental interpretation of the TTR signatures in terms of coupled intramolecular vibrational modes remains unchanged from the previous work.

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Ultrafast 2D IR Vibrational Echo Spectroscopy

Cited by 9 publications

References 35 publications

Gating Mechanism of the Influenza A M2 Channel Revealed by 1D and 2D IR Spectroscopies

Gating Mechanism of the Influenza A M2 Channel Revealed by 1D and 2D IR Spectroscopies

The Complex Inter-Relationships Between Protein Flexibility and Stability

Interpretation of the THz-THz-Raman Spectrum of Bromoform

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