title: Using the theoretical linear energy solvation energy relationship to correlate and predict nasal pungency thresholds.
abstract: The theoretical linear solvation energy relationship (TLSER) has been used to correlate and characterize 44 nasal pungency threshold (NPT) values in man with parameters derived from semi-empirical molecular orbital theory. The resulting relationship provides good correlative (R2 > 0.92) and predictive (R2cy > 0.88) capability. In addition, the TLSER parameters are used as a molecular probe to attempt to understand the fundamental properties influencing nasal pungency.
authors.affiliation: AMSSB-RAS-I, US Army Soldier and Biological Chemical Command, APG, MD 21010, USA. george.famini@sbccom.apgea.army.mil
authors.forename: George R
authors.initials: GR
authors.lastname: Famini
authors.forename: Denise
authors.initials: D
authors.lastname: Aguiar
authors.forename: Marvin A
authors.initials: MA
authors.lastname: Payne
authors.forename: Ryan
authors.initials: R
authors.lastname: Rodriquez
authors.forename: Leland Y
authors.initials: LY
authors.lastname: Wilson
mesh_terms: D004735:Energy Transfer; D006801:Humans; D007509:Irritants; D016014:Linear Models; D009666:Nose / Q000502:physiology*; D011237:Predictive Value of Tests; D012684:Sensory Thresholds / Q000502:physiology*; D012997:Solvents
chemical_list: D007509:Irritants; D012997:Solvents