Density functional study of the photoactive yellow protein's chromophore

Article Abstract:

Model compounds of the chromophore of photoactive yellow protein using density functional study (DFT) based molecular dynamics and time dependant DFT is studied. The ground state of the isolated chromophore in its protonated and deprotonated forms is characterized and the energy barrier involved in the trans to cis isomerization process around the carbon-carbon double bond is computed.

Isomerization

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The chromophore of asFP595: A theoretical study

Article Abstract:

The electronic and structural properties of the chromophore of the asCP/asFP595, a newly discovered protein of the (green) fluorescent protein (GFP) family, are investigated. The analysis has shown that the most probable structure of the photoactive moiety in the protein and in water is the one resulting from the GFP-like rather than the alternative cyclization scheme.

Electric properties, Protein research, Structure

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Impact of photon absorption on the electronic properties of p-coumaric acid derivatives of the photoactive yellow protein chromophore

Article Abstract:

The determination of the changes in the electrostatic properties of thiomethyl p-coumaric acid (TMpCA) and its sterically hindered derivative, thiomethyl 1-7-hydroxy-coumarin-3-carboxylic acid (TM7HC), at 77 K using Stark spectroscopy is discussed. The charge transfer occurs from the phenolate oxygen O1 primarily to C7 in the excited state.

All Other Basic Organic Chemical Manufacturing, Industrial organic chemicals, not elsewhere classified, Coumarin, Analysis, Photons, Coumarins, Properties

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