Special events.

Environmental Effects on a Single-Photochromic Molecule

'The photochromic molecule, diarylethene, is considered to be a promising candidate for a molecular switch and memory. [M. Irie, Chem. Rev. 100 (2000) 1685.] Diarylethene derivatives have two thermally stable structures, i.e., open- and closed-ring isomers. The open-ring isomer is converted to the closed-ring isomer upon irradiation with UV light. Similarly, the open-ring isomer is obtained from the closed-ring isomer upon irradiation with visible light. Due to the distinctive difference in structure, especially the difference in the pi-conjugation, they have different absorption spectra.

What Your IR Spectrum Wouldn't Tell You About Water

Frequently, the IR spectrum of water is used to characterize the structure and strength of the associated hydrogen bond network. Our recent results show that linear IR spectroscopy alone is insufficient to predict effects on the structure and dynamics of water in different chemical environments based on qualitative assertions regarding the strength of the hydrogen bond network. Using nonlinear IR pump-probe spectroscopy we examine the dynamics of water in various chemical systems that have nearly identical IR absorption spectra.

On the Effect of Force on the Conformational Kinetics of Nucleic Acids

Three topics related to the effect of external forces and torques on the conformational kinetics of nucleic acids and nucleoprotein complexes are to be presented. First, we showcase the combination of molecular dynamics and free energy calculations on the topic of generating novel, "Pauling" DNA and RNA forms induced by external tensions and torques. Second, we show simulation evidence that the mechanisms for positive and negative DNA supercoil relaxation by human topoisomerase I are different.

Pages

Subscribe to RSS - Seminar