Physical Sciences and Mathematics Commons^™

Contributions Of Tunneling In 8Π-6Π Electrocyclic Cascade Reactions Of Bicyclo[4.2.0]Octa-2,4-Diene Moieties, Ishika Jain, Claire Castro, William L. Karney

Featured Student Work

Six-electron electrocyclic reactions usually require relatively high temperatures; however recent research has shown that such reactions can occur at significantly lower temperatures in biosynthetic and biomimetic pathways. Pathways resulting in bicyclo[4.2.0]octa-2,4-diene moieties arise from thermally allowed 8π-6π electrocyclization cascade reactions of 1,3,5,7-octatetraenes, as in the biosynthesis of endiandric acids, elysiapyrones, and numerous other natural products. We report multidimensional tunneling calculations to explore the possible contribution of heavy-atom tunneling (e.g. by carbon) to biosynthetic pathways and biomimetic syntheses, and thus to provide a more complete picture of biochemical kinetics. M06-2X/cc-pVDZ calculations on the 8π-6π cascade cyclizations of methylated octatetraene model systems …

Best Cities: Software User Guide, Stephanie Ohshita, C Fino-Chen, L Hong, N Khanna

Environmental Science

The Benchmarking and Energy-Saving Tool for Low Carbon Cities (BEST Cities) is a dynamic decision-making tool, designed to assist local policy makers and urban planners in prioritizing strategies for energy and carbon saving at the city level in China.

China’s 12^th Five-Year Plan (2011-2015) targets a reduction in carbon intensity of the economy (CO₂ emissions per unit of GDP) by 17%. In the "Low Carbon Development 2014-2015 energy saving action plan," the State Council calls for interim targets of more than 4% in 2014 and more than 3.5% in 2015. The …