title: Accumulation of explosives in hair--Part 3: Binding site study.
abstract: This study extends previous work on the sorption of explosives to the hair matrix. Specifically, we have studied the interaction of 2,4,6-trinitrotoluene (TNT) and triacetone triperoxide (TATP) as a function of chemical pretreatment with acetonitrile, neutral and alkaline hydrogen peroxide, methanolic KOH and potassium permanganate, and the morphological changes that accompany these treatments. While differences in vapor pressure can account for quantitative differences between TNT and TATP sorption, both are markedly affected by the chemical rinses. Examination of the hair surface shows different degrees of smoothening following rinsing, suggesting that the attachment to hair is largely a surface phenomenon involving the 18-methyleicosanoic acid lipid layer. Density functional theory calculations were employed to explore possible nucleation sites of TATP microcrystals on the hair. We conclude that some of the sites on melanin granular surfaces may support nucleation of TATP microcrystals. Moreover, the calculations support the experimental finding that dark hair adsorbs explosives better than light hair.
authors.affiliation: Department of Chemistry, University of Rhode Island, Kingston, RI 02881, USA. joxley@chm.uri.edu
authors.forename: Jimmie C
authors.initials: JC
authors.lastname: Oxley
authors.forename: James L
authors.initials: JL
authors.lastname: Smith
authors.forename: Louis J
authors.initials: LJ
authors.lastname: Kirschenbaum
authors.forename: Suvarna
authors.initials: S
authors.lastname: Marimiganti
authors.forename: Irena
authors.initials: I
authors.lastname: Efremenko
authors.forename: Raya
authors.initials: R
authors.lastname: Zach
authors.forename: Yehuda
authors.initials: Y
authors.lastname: Zeiri
mesh_terms: D000097:Acetonitriles; D005006:Ethnicity; D053834:Explosive Agents / Q000032:analysis*; D006197:Hair / Q000737:chemistry* / Q000648:ultrastructure; D006200:Hair Color; D006573:Heterocyclic Compounds, 1-Ring / Q000032:analysis*; D006801:Humans; D006861:Hydrogen Peroxide; D000432:Methanol; D018625:Microscopy, Atomic Force; D008855:Microscopy, Electron, Scanning; D010545:Peroxides / Q000032:analysis*; D012997:Solvents; D014303:Trinitrotoluene / Q000032:analysis*
chemical_list: D000097:Acetonitriles; D053834:Explosive Agents; D006573:Heterocyclic Compounds, 1-Ring; D010545:Peroxides; D012997:Solvents; D014303:Trinitrotoluene; C495284:triacetone triperoxide; D006861:Hydrogen Peroxide; D000432:Methanol; C032159:acetonitrile