Literature DB >> 19011677

Two Dimensional Electronic Correlation Spectroscopy of the npi* and pipi* Protein Backbone Transitions: A Simulation Study.

Zhenyu Li1, Darius Abramavicius, Wei Zhuang, Shaul Mukamel.   

Abstract

The two dimensional (2D) photon echo spectrum of the amide ultraviolet (UV) bands of proteins are simulated. Two effective exciton Hamiltonian parameter sets developed by Woody and Hirst, which predict similar CD spectra, may be distinguished by their very different 2DUV spectra. These differences are enhanced in specific configurations of pulse polarizations which provide chirality-induced signals.

Entities:  

Year:  2007        PMID： 19011677      PMCID： PMC2564823          DOI： 10.1016/j.chemphys.2007.03.029

Source DB:  PubMed          Journal:  Chem Phys        ISSN： 0301-0104            Impact factor:   2.348


  24 in total

Review 1.  Many-body approaches for simulating coherent nonlinear spectroscopies of electronic and vibrational excitons.

Authors:  Shaul Mukamel; Darius Abramavicius
Journal:  Chem Rev       Date:  2004-04       Impact factor: 60.622

2.  Dissecting coherent vibrational spectra of small proteins into secondary structural elements by sensitivity analysis.

Authors:  Wei Zhuang; Darius Abramavicius; Shaul Mukamel
Journal:  Proc Natl Acad Sci U S A       Date:  2005-05-13       Impact factor: 11.205

3.  Modeling the amide I bands of small peptides.

Authors:  Thomas la Cour Jansen; Arend G Dijkstra; Tim M Watson; Jonathan D Hirst; Jasper Knoester
Journal:  J Chem Phys       Date:  2006-07-28       Impact factor: 3.488

4.  Charge-transfer transitions in protein circular dichroism calculations.

Authors:  Mark T Oakley; Jonathan D Hirst
Journal:  J Am Chem Soc       Date:  2006-09-27       Impact factor: 15.419

5.  A transferable electrostatic map for solvation effects on amide I vibrations and its application to linear and two-dimensional spectroscopy.

Authors:  Thomas la Cour Jansen; Jasper Knoester
Journal:  J Chem Phys       Date:  2006-01-28       Impact factor: 3.488

6.  Simulation protocols for coherent femtosecond vibrational spectra of peptides.

Authors:  Wei Zhuang; Darius Abramavicius; Tomoyuki Hayashi; Shaul Mukamel
Journal:  J Phys Chem B       Date:  2006-02-23       Impact factor: 2.991

Review 7.  First-principles calculations of protein circular dichroism in the far-ultraviolet and beyond.

Authors:  Mark T Oakley; Benjamin M Bulheller; Jonathan D Hirst
Journal:  Chirality       Date:  2006-05-15       Impact factor: 2.437

8.  Calculations of the CD spectrum of bovine pancreatic ribonuclease.

Authors:  G Kurapkat; P Krüger; A Wollmer; J Fleischhauer; B Kramer; E Zobel; A Koslowski; H Botterweck; R W Woody
Journal:  Biopolymers       Date:  1997-03       Impact factor: 2.505

9.  Hydrogen bond dynamics probed with ultrafast infrared heterodyne-detected multidimensional vibrational stimulated echoes.

Authors:  John B Asbury; Tobias Steinel; C Stromberg; K J Gaffney; I R Piletic; Alexi Goun; M D Fayer
Journal:  Phys Rev Lett       Date:  2003-12-03       Impact factor: 9.161

10.  UV Raman demonstrates that alpha-helical polyalanine peptides melt to polyproline II conformations.

Authors:  Sanford A Asher; Alexander V Mikhonin; Sergei Bykov
Journal:  J Am Chem Soc       Date:  2004-07-14       Impact factor: 15.419
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  5 in total

Review 1.  Coherent multidimensional optical spectroscopy of excitons in molecular aggregates; quasiparticle versus supermolecule perspectives.

Authors:  Darius Abramavicius; Benoit Palmieri; Dmitri V Voronine; Frantisek Sanda; Shaul Mukamel
Journal:  Chem Rev       Date:  2009-06       Impact factor: 60.622

2.  Molecular decision trees realized by ultrafast electronic spectroscopy.

Authors:  Barbara Fresch; Dawit Hiluf; Elisabetta Collini; R D Levine; F Remacle
Journal:  Proc Natl Acad Sci U S A       Date:  2013-09-16       Impact factor: 11.205

3.  Double-quantum resonances and exciton-scattering in coherent 2D spectroscopy of photosynthetic complexes.

Authors:  Darius Abramavicius; Dmitri V Voronine; Shaul Mukamel
Journal:  Proc Natl Acad Sci U S A       Date:  2008-06-18       Impact factor: 11.205

4.  Simulation study of chiral two-dimensional ultraviolet spectroscopy of the protein backbone.

Authors:  Darius Abramavicius; Jun Jiang; Benjamin M Bulheller; Jonathan D Hirst; Shaul Mukamel
Journal:  J Am Chem Soc       Date:  2010-06-09       Impact factor: 15.419

5.  Geometry and Excitation Energy Fluctuations of NMA in Aqueous Solution with CHARMM, AMBER, OPLS, and GROMOS Force Fields: Implications for Protein Ultraviolet Spectra Simulation.

Authors:  Zhenyu Li; Haibo Yu; Wei Zhuang; Shaul Mukamel
Journal:  Chem Phys Lett       Date:  2008-02-04       Impact factor: 2.328
  5 in total

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