Abstract
Studies have shown that when DNA absorbs ultraviolet light it can become structurally damaged leading to a mutation. Absorption of ultraviolet light causes molecular vibrations in DNA and these vibrations are what likely leads to structural changes in the DNA. However, exposing DNA to ultraviolet light rarely leads to structural damage. This indicates that the energy from the absorbed ultraviolet light is often dissipated in a way that does not damage the DNA. One way the structural changes could be avoided is by vibrational energy transfer from DNA to nearby water molecules. To investigate this potential biological mechanism, molecular dynamics simulations and electronic structure calculations have been performed on aqueous model systems for DNA base pairs. These calculations have provided insight into the feasibility of vibrational energy transfer between DNA and nearby water molecules. Hence, allowing for a greater understanding of a potential mechanism by which damage to DNA may be avoided.
Faculty Sponsors
Dr. Brian Van Hoozen, Dr. Maria Ballester
Project Type
Event
Location
Alvin Sherman Library
Start Date
4-2-2025 2:15 PM
End Date
4-3-2025 12:00 AM
Exploring Vibrational Energy Transfer Between DNA and Water Molecules
Alvin Sherman Library
Studies have shown that when DNA absorbs ultraviolet light it can become structurally damaged leading to a mutation. Absorption of ultraviolet light causes molecular vibrations in DNA and these vibrations are what likely leads to structural changes in the DNA. However, exposing DNA to ultraviolet light rarely leads to structural damage. This indicates that the energy from the absorbed ultraviolet light is often dissipated in a way that does not damage the DNA. One way the structural changes could be avoided is by vibrational energy transfer from DNA to nearby water molecules. To investigate this potential biological mechanism, molecular dynamics simulations and electronic structure calculations have been performed on aqueous model systems for DNA base pairs. These calculations have provided insight into the feasibility of vibrational energy transfer between DNA and nearby water molecules. Hence, allowing for a greater understanding of a potential mechanism by which damage to DNA may be avoided.
Comments
TED-Style Talk