Laali, Kenneth K; Chun, Joong-Hyun; Okazaki, Takao et al. (2007) Electrophilic chemistry of thia-PAHs: stable carbocations (NMR and DFT), S-alkylated onium salts, model electrophilic substitutions (nitration and bromination), and mutagenicity assay. J Org Chem 72:8383-93
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Borosky, Gabriela L; Laali, Kenneth K (2007) Oxidized metabolites from benzo[a]pyrene, benzo[e]pyrene, and aza-benzo[a]pyrenes. A computational study of their carbocations formed by epoxide ring opening reactions. Org Biomol Chem 5:2234-42
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Brule, Cedric; Laali, Kenneth K; Okazaki, Takao et al. (2007) Structure/reactivity relationships in the benzo[c]phenanthrene skeleton: stable ion and electrophilic substitution (nitration, bromination) study of substituted analogues, novel carbocations and substituted derivatives. J Org Chem 72:3232-41
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Bae, Suyeal; Mah, Heduck; Chaturvedi, Surendrakumar et al. (2007) Synthetic, crystallographic, computational, and biological studies of 1,4-difluorobenzo[c]phenanthrene and its metabolites. J Org Chem 72:7625-33
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Laali, Kenneth K; Arrica, Maria A; Okazaki, Takao et al. (2007) Substituent effects in benz[a]anthracene carbocations: a stable ion, electrophilic substitution (nitration, bromination), and DFT study. J Org Chem 72:6768-75
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Borosky, Gabriela L; Laali, Kenneth K (2006) Carbocations from oxidized metabolites of benzo[a]anthracene: a computational study of their methylated and fluorinated derivatives and guanine adducts. Chem Res Toxicol 19:899-907
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Brule, Cedric; Holmer, Stephanie; Krechanin, Seth et al. (2006) Sterically crowded azulene-based dication salts as novel guests: synthesis and complexation studies with crown ethers and calixarenes in solution and in the gas phase. Org Biomol Chem 4:3077-84
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Laali, Kenneth K; Sarca, Viorel D; Okazaki, Takao et al. (2005) Triflic acid-catalyzed adamantylation of aromatics in [BMIM][OTf] ionic liquid; synthetic scope and mechanistic insight. Org Biomol Chem 3:1034-42
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Borosky, Gabriela L; Laali, Kenneth K (2005) A computational study of carbocations from oxidized metabolites of dibenzo[a,h]acridine and their fluorinated and methylated derivatives. Chem Res Toxicol 18:1876-86
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Borosky, Gabriela L; Laali, Kenneth K (2005) Theoretical study of aza-polycyclic aromatic hydrocarbons (aza-PAHs), modelling carbocations from oxidized metabolites and their covalent adducts with representative nucleophiles. Org Biomol Chem 3:1180-8
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