Using the theoretical linear energy solvation energy relationship to correlate and predict nasal pungency thresholds.
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.
Famini
George R
GR
AMSSB-RAS-I, US Army Soldier and Biological Chemical Command, APG, MD 21010, USA. george.famini@sbccom.apgea.army.mil
Aguiar
Denise
D
Payne
Marvin A
MA
Rodriquez
Ryan
R
Wilson
Leland Y
LY
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
D007509:Irritants; D012997:Solvents