Self-assembly at the prebiotic solid-liquid interface: structures of self-assembled monolayers and guanine bases formed on inorganic surfaces

Article Abstract:

A study was conducted to analyze the packing structures of purine base monolayer systems using molecular mechanics simulations. The semiempirical modified neglect of differential overlap was utilized to determine the electrostatic potential derived partial atomic charges and the starting geometry of the atoms of adsorbate molecules. Experimental results indicated that structural motifs were reproduced in the monolayer configurations of the pure bases.

Purines

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Computer simulations of phosphatidylcholine monolayers at air/water and CCl4/water interfaces

Article Abstract:

Structural properties of DLPC and DPPC molecules at air/water and carbon tetrachloride/water interfaces have similarities with the one identified for these molecules in bilayers. A tilt of hydrocarbon tails toward the interface normal is seen in the case of monolayers.

Surface chemistry

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Computer simulations of sodium dodecyl sulfate at liquid/liquid and liquid/vapor interfaces

Article Abstract:

Molecular dynamics simulations were undertaken on sodium dodecyl sulfate monolayer at liquid/liquid and liquid/vapor interfaces.

Models

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