Tone-evoked Vowels and Semivowels

Finley, Gregory

doi:10.5070/p77sc3g2z5

Cited by 1 publication

(4 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Figure shows simulated linear absorption spectra for the Coumarin–TMV-templated aggregates CE-104 and CE-123 and compares these with the corresponding experimental linear absorbance spectra for the fully loaded disks containing 17 chromophores on each side of the disk . The baseline has been subtracted from the experimental spectra to remove contributions of light scattering.…”

Section: Resultsmentioning

confidence: 99%

“…We quantify the differences between the CE-104 and CE-123 spectra in Figure by calculating the peak and mean wavelength of absorption for each spectrum, where the latter is give by the weighted average The values are shown in Table for both the MCMM-averaged spectra and the idealized spectrum, where they are also compared with the peak absorption values obtained from experimental spectra . The peaks in the experimental spectrum exhibit a blue shift when going from the CE-123 system to the CE-104 system.…”

Section: Resultsmentioning

confidence: 99%

“…The chromophore–protein complexes studied in this paper have all been experimentally synthesized . We have successfully attached chromophores to the TMV protein, and the theoretical study of these complexes is the focus of this paper.…”

Section: Computational Detailsmentioning

confidence: 99%

“…We have successfully attached chromophores to the TMV protein, and the theoretical study of these complexes is the focus of this paper. The details of the self-assembly of TMV are available in ref , and the details of attaching chromophores to the TMV protein are presented in ref .…”

Section: Computational Detailsmentioning

confidence: 99%

See 3 more Smart Citations

Molecular Mechanics Simulations and Improved Tight-Binding Hamiltonians for Artificial Light Harvesting Systems: Predicting Geometric Distributions, Disorder, and Spectroscopy of Chromophores in a Protein Environment

et al. 2018

View full text Add to dashboard Cite

We present molecular mechanics and spectroscopic calculations on prototype artificial light harvesting systems consisting of chromophores attached to a tobacco mosaic virus (TMV) protein scaffold. These systems have been synthesized and characterized spectroscopically, but information about the microscopic configurations and geometry of these TMV-templated chromophore assemblies is largely unknown. We use a Monte Carlo conformational search algorithm to determine the preferred positions and orientations of two chromophores, Coumarin 343 together with its linker, and Oregon Green 488, when these are attached at two different sites (104 and 123) on the TMV protein.The resulting geometric information shows that the extent of disorder and aggregation properties, and therefore the optical properties of the TMV-templated chromophore assembly, are highly dependent on the choice of chromophores and protein site to which they are bound. We used the results of the conformational search as geometric parameters together with an improved tight-binding Hamiltonian to simulate the linear absorption spectra and compare with experimental spectral measurements. The ideal dipole approximation to the Hamiltonian is not valid since the distance between chromophores can be very small. We found that using the geometries from the conformational search is necessary to reproduce the features of the experimental spectral peaks.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Computational Detailsmentioning

confidence: 99%

Section: Computational Detailsmentioning

confidence: 99%

See 2 more Smart Citations