In 2013 the National Fire Protection Agency reported 1.24 million fires, which attributed to 3,200 deaths, 15,925 injuries and $12 billion in property damage. Flame retardants (FRs) play a significant role in fire protection by delaying the ignition or spread of a fire. These chemicals tend to be either organohalogenated or organophosphorous based compounds, which some studies have indicated can cause adverse health effects, such as endocrine disruption. It was recently demonstrated that a common FR, triphenyl phosphate (TPP), can form an inclusion complex (IC) with β-cyclodextrin (BCD) to help reduce toxicity. The goal of our work is to use a combination of experiments and molecular modeling to characterize these ICs. Mass spectrometry results indicate that TPP forms an IC with BCD, while molecular dynamics simulations suggest a 2BCD:1TPP crystal structure. In addition, we are working to identify other potential FRs that can form ICs with BCD and other CDs.

Flame retardants: New approaches to reduce exposure

252nd National Meeting (2016)

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