1,3-Butadiene (BD) is a multisite carcinogen in rodents, with mice being much more susceptible than rats. This species difference in carcinogenicity has been attributed to differences in metabolism. In this study, coordinated metabolism of butadiene monoxide (BMO, 5, 25, and 250 microM), the primary reactive metabolite of BD, was investigated in freshly isolated male B6C3F1 mouse and Sprague-Da...

The evaluation of ruthenium olefin metathesis catalysts 4-6 bearing cyclic (alkyl)(amino)carbenes (CAACs) in the cross-metathesis of cis-1,4-diacetoxy-2-butene (7) with allylbenzene (8) and the ethenolysis of methyl oleate (11) is reported. Relative to most NHC-substituted complexes, CAAC-substituted catalysts exhibit lower E/Z ratios (3:1 at 70% conversion) in the cross-metathesis of 7 and 8. ...

A general and efficient approach toward new zirconium and hafnium complexes based on 2-aryl-8-arylaminoquinoline ligands was developed. These precursors, when activated with MAO/borate cocatalyst and supported on silica, result in active olefin polymerization catalysts. The ethylene copolymers produced under industrially relevant conditions show very high molecular weights and unique microstruc...

Controlled chemical reaction of single trans-2-butene molecules on the Pd(110) surface was realized by dosing tunneling electrons from the tip of a scanning tunneling microscope at 4.7 K. The reaction product was identified as a 1,3-butadiene molecule by inelastic electron tunneling spectroscopy. Threshold voltage for the reaction is approximately 365 mV, which coincides with the vibrational ex...

The enantioselective surface chemistry of chiral R-2-bromobutane was studied on the naturally chiral Cu(643)R&S and Cu(531)R&S surfaces by comparing relative product yields during temperature-programmed reaction spectroscopy. Molecularly adsorbed R-2-bromobutane can desorb molecularly or debrominate to form R-2-butyl groups on the surfaces. The R-2-butyl groups react further by beta-hydride eli...

The relative distribution of the basins of attraction of the chemical species and of the transi­ tion states is derived for the thermal isomerization of cyclobutene to butadiene. It is shown that the transition states for the symmetry-allowed and symmetry-forbidden path­ ways are lumomers of one another. Use is made of the structural stability principle of Ariel Fernandez and Oktay Sinanoglu to...