Evaluation of doxorubicin and β-lapachone analogs as anticancer agents, a biological and computational study.

We have conducted an experimental and computational evaluation of new doxorubicin (4a-c) and β-lapachone (5a-c) analogs. These novel anticancer analogs were previously synthesized, but had not been tested or characterized until now. We have evaluated their antiproliferative and DNA cleavage inhibition properties using breast (MCF-7 and MDA-MB-231) and prostate (PC3) cancer cell lines.

Modeling Adsorption of CO in Rutile Metallic Oxide Surfaces: Implications in CO Catalysis.

CO is the most abundant greenhouse gas, and for this reason, it is the main target for finding solutions to climatic change. A strategy of environmental remediation is the transformation of CO to an aggregated value product to generate a carbon-neutral cycle. CO reduction is a great challenge because of the large C=O dissociation energy, ~179 kcal/mol.