Biomedical subjects

Douglas C Caskey

Publications and source records attributed to Douglas C Caskey.

3 recordsLinked to original sources

PubMed2005

Toward self-assembled surface-mounted prismatic altitudinal rotors. A test case: trigonal and tetragonal prisms.

[structure: see text] A self-assembly path toward prismatic molecular rotors based on transversely reactive terminally metalated molecular rods and pyridine-terminated star connectors has been extended. The concept has been tested on the assembly of trigonal and tetragonal prisms from the biphenyl rod, [Ph2P(CH2)3PPh2]Pt+ -C6H4-C6H4-Pt+ [Ph2P(CH2)3PPh2], and the star-shaped connectors, 1,3,5-tris(4-ethynylpyridyl)benzene and [tetrakis(4-pyridyl)cyclobutadiene]cyclopentadienylcobalt, respectively. The prisms have been fully characterized by NMR and MS, including diffusion-ordered NMR and collision-induced dissociation, and their chiral structures optimized by molecular mechanics are discussed.

Journal Article↗

PubMed2004

Toward self-assembled surface-mounted prismatic altitudinal rotors. A test case: molecular rectangle.

[structure: see text] A self-assembly path toward prismatic molecular rotors based on transversely reactive terminally metalated molecular rods and pyridine-terminated star connectors is outlined. The concept is tested on the assembly of the biphenyl rod [Ph(2)P(CH(2))(3)PPh(2)Pt(+)-C(6)H(4)-C(6)H(4)-Pt(+)[Ph(2)P(CH(2))(3)PPh(2)] and 4,4'-bipyridyl into a molecular rectangle, fully characterized by NMR and MS, including diffusion-ordered NMR and collision-induced dissociation MS.

Journal Article↗

PubMed2002

Computational studies of aliphatic amine basicity.

Computational studies have been used to examine the structural and energetic effects of adding small numbers of water molecules to ammonia, methylamine, dimethylamine, and trimethylamine, and their respective ammoniums ions using the effective fragment potential method. Distinct structural effects with only a few fragment water molecules are revealed. The complexity of structures increases with the number of water fragments with the water fragments forming complex networks. Structural and energetic effects are used to probe the so-called anomalous basicity effect of ammonia and the methylamines on going from the gas phase to aqueous solution.

Journal Article↗