Vibrational energy funneling in viruses-simulations of impulsive stimulated Raman scattering in M13 bacteriophage

Eric C. Dykeman; Otto F. Sankey

doi:10.1088/0953-8984/21/50/505102

Vibrational energy funneling in viruses-simulations of impulsive stimulated Raman scattering in M13 bacteriophage

Eric C. Dykeman, Otto F. Sankey

Biology

Research output: Contribution to journal › Article › peer-review

Abstract

The vibrational excitation of a tubular M13 bacteriophage capsid is simulated using classical molecular dynamics. The excitation occurs through impulsive stimulated Raman scattering by ultra-short laser pulses which ping the vibrational modes of the capsid. Tuning the laser pulse temporal width determines the frequency region of the capsid that is excited. The simulations reveal that electromagnetic energy transferred to the high frequency modes by ultra-short pulses is funneled via anharmonicity to just five low frequency modes which receive approximately 80% of the funneled energy. A single mode receives most of the funneled energy (3-4% of the total energy delivered) involves swelling and is effective in damaging the capsid. However, the laser intensity necessary to produce damage to the capsid from a single laser pulse is found to be extremely high for this mechanism to be effective.

Original language	English
Article number	505102
Pages (from-to)	-
Number of pages	6
Journal	Journal of physics : Condensed matter
Volume	21
Issue number	50
DOIs	https://doi.org/10.1088/0953-8984/21/50/505102
Publication status	Published - 16 Dec 2009

Keywords

BOND POLARIZABILITY
FEMTOSECOND LASER
MODELS
MEMBRANE

Access to Document

10.1088/0953-8984/21/50/505102

Cite this

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title = "Vibrational energy funneling in viruses-simulations of impulsive stimulated Raman scattering in M13 bacteriophage",

abstract = "The vibrational excitation of a tubular M13 bacteriophage capsid is simulated using classical molecular dynamics. The excitation occurs through impulsive stimulated Raman scattering by ultra-short laser pulses which ping the vibrational modes of the capsid. Tuning the laser pulse temporal width determines the frequency region of the capsid that is excited. The simulations reveal that electromagnetic energy transferred to the high frequency modes by ultra-short pulses is funneled via anharmonicity to just five low frequency modes which receive approximately 80% of the funneled energy. A single mode receives most of the funneled energy (3-4% of the total energy delivered) involves swelling and is effective in damaging the capsid. However, the laser intensity necessary to produce damage to the capsid from a single laser pulse is found to be extremely high for this mechanism to be effective.",

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AU - Sankey, Otto F.

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N2 - The vibrational excitation of a tubular M13 bacteriophage capsid is simulated using classical molecular dynamics. The excitation occurs through impulsive stimulated Raman scattering by ultra-short laser pulses which ping the vibrational modes of the capsid. Tuning the laser pulse temporal width determines the frequency region of the capsid that is excited. The simulations reveal that electromagnetic energy transferred to the high frequency modes by ultra-short pulses is funneled via anharmonicity to just five low frequency modes which receive approximately 80% of the funneled energy. A single mode receives most of the funneled energy (3-4% of the total energy delivered) involves swelling and is effective in damaging the capsid. However, the laser intensity necessary to produce damage to the capsid from a single laser pulse is found to be extremely high for this mechanism to be effective.

AB - The vibrational excitation of a tubular M13 bacteriophage capsid is simulated using classical molecular dynamics. The excitation occurs through impulsive stimulated Raman scattering by ultra-short laser pulses which ping the vibrational modes of the capsid. Tuning the laser pulse temporal width determines the frequency region of the capsid that is excited. The simulations reveal that electromagnetic energy transferred to the high frequency modes by ultra-short pulses is funneled via anharmonicity to just five low frequency modes which receive approximately 80% of the funneled energy. A single mode receives most of the funneled energy (3-4% of the total energy delivered) involves swelling and is effective in damaging the capsid. However, the laser intensity necessary to produce damage to the capsid from a single laser pulse is found to be extremely high for this mechanism to be effective.

KW - BOND POLARIZABILITY

KW - FEMTOSECOND LASER

KW - MODELS

KW - MEMBRANE

U2 - 10.1088/0953-8984/21/50/505102

DO - 10.1088/0953-8984/21/50/505102

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