Molecular dynamics simulations of the solvation of coumarin 153 in a mixture of an alkane and an alcohol

Article Abstract:

The solvation of coumarin 153 (C153) in a mixture of methanol and hexane molecules was investigated using molecular dynamics simulations. Simulations were performed for the ground and excited states of C153 to determine the structure of solvation shell and to calculate the absorption and emission spectra. Results showed a strong preferential solvation of C153 by methanol in the excited state. Moreover, the dilute polar/nonpolar mixtures were found to have different solvation shells and dynamics from the pure polar solvent.

Alkanes, Methanol, Hexane

---

Photophysical processes of ethidium bromide in micelles and reverse micelles

Article Abstract:

Research was conducted to examine the photophysical processes of ethidium bromide (EB) in homogeneous solutions, micelles and reverse micelles. The emission properties of EB in acetone and acetonitrile were compared to show that the hydrogen-bond acceptor basicity of the solvent plays a crucial role in controlling the nonradiative rates of EB than the solvent polarity. Results indicate that the emission characteristics of EB are independent of the water-to-surfactant ratio.

Photoemission, Micelles, Bromides, Acetonitrile, Acetone, Bromides (Chemistry)

---

Solvation dynamics of coumarin 480 in vesicles

Article Abstract:

A study was conducted to analyze solvation dynamics in coumarin 480 in dimyristoylphosphatidylcholine vesicles in water using picosecond time-resolved Stokes shift. The response time of the experimental setup was about 50 ps while the wavelength of excitation for the time-resolved studies was 300 nm. Experimental results indicated that coumarin 480 is a sensitive fluorescent probe the microenvironment of the vesicles.

Analysis, Water, Water analysis

Similar abstracts:

• Abstracts: Molecular dynamics simulations of ternary membrane mixture: phosphatidylcholine, phosphatidic acid, and cholesterol
• Abstracts: Molecular dynamics simulations of lithium alkyl carbonates. Dynamical properties. Passive transport of [C.sub.60] fullerenes through a lipid membrane: a molecular dynamics simulation study
• Abstracts: Electronic transition dipole moment directions of reduced anionic flavin in stretched poly(vinyl alcohol) films
• Abstracts: Electrooxidation of CO and H2/CO mixtures on Pt(111) in acid solutions. Electrooxidation of H2, CO, and H2/CO mixtures on a well-characterized Pt70Mo30 bulk array electrode
• Abstracts: Theoretical study of the excited states of chlorin, bacteriochlorin, pheophytin a, and chlorophyll a by the SAC/SAC-CI method

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.