NIOSHTIC-2 Publications Search

Application of linear solvation energy relationships to a custom-made polyaniline solid-phase microextraction fiber and three commercial fibers.

Yeatts-JL Jr.; Baynes-RE; Xia-XR; Riviere-JE

J Chromatogr A 2008 Apr; 1188(2):108-117

http://dx.doi.org/10.1016/j.chroma.2008.02.057

20034118

The term linear solvation energy relationships, LSERs, is considered to be a specific subset of a larger group of thermodynamic relationships called linear free energy relationships. Overall, the LSERs model represents a three-step thermodynamic process. The most recently accepted notation for the LSER equation, proposed by Abraham is given as follows: SP= c+eE+sS+aA+bB+vV where SP is any free energy related property of a solute, such as log K, and each term in the equation represents a specific type of chemical interaction. In this work, LSERs were applied to a custom-made polyaniline (PANI) solid-phase microextraction fiber and three commercial fibers immersed in water in order to aid in the assessment of a diverse series of solutes' partitioning behavior. By experimentally determining the log K for a series of solutes with known solute descriptors (E, S, A, B, and V) and performing multi-linear regression, the unknown system coefficients (e, s, a, b, and v) were obtained. The sign and magnitude of the system coefficients reflect the relative strengths of chemical interactions that affect partitioning between the two phases (fiber and water). The LSER study showed that the system properties having the greatest influence on log K were ease of cavity formation and hydrogen bond donating ability. The differences in dipolarity/polarizability as well as in hydrogen bond accepting ability further showed that all four fibers offer a unique environment for solute partitioning. The PANI fiber may offer greater flexibility in the choice of fibers to use for solid-phase microextraction.

Mathematical-models; Statistical-analysis; Risk-analysis; Quantitative-analysis; Diffusion-analysis; Analytical-models; Analytical-chemistry; Fibrosis; Fibrous-bodies

James L. Yeatts Jr., Center for Chemical Toxicology Research and Pharmacokinetics (CCTRP), North Carolina State University, College of Veterinary Medicine, 4700 Hillsborough Street, Raleigh, NC 27606

JCRAEY

20080425

Journal Article

jim_yeatts@ncsu.edu

875919

Grant

2008

Grant-Number-R01-OH-003669

2

0021-9673

Disease and Injury: Allergic and Irritant Dermatitis

Journal of Chromatography A

NC; WA

North Carolina State University, Raleigh, North Carolina