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A measurement and modelling study of hair partition of neutral, cationic and anionic chemicals

Li, L, Yang, S, Chen, Tao, Han, L and Lian, Guoping (2017) A measurement and modelling study of hair partition of neutral, cationic and anionic chemicals Journal of Pharmaceutical Sciences, 107 (4). pp. 1122-1130.

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A measurement and modelling study of hair partition of neutral%2c cationic and anionic chemicals.docx - Accepted version Manuscript
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Abstract

Various neutral, cationic and anionic chemicals contained in hair care products can be absorbed into hair fiber to modulate physicochemical properties such as color, strength, style and volume. For environmental safety, there is also an interest in understanding hair absorption to wide chemical pollutants. There have been very limited studies on the absorption properties of chemicals into hair. Here, an experimental and modelling study has been carried out for the hair-water partition of a range of neutral, cationic and anionic chemicals at different pH. The data showed that hair-water partition not only depends on the hydrophobicity of the chemical but also the pH. The partition of cationic chemicals to hair increased with pH and this is due to their electrostatic interaction with hair increased from repulsion to attraction. For anionic chemicals, their hair-water partition coefficients decreased with increasing pH due to their electrostatic interaction with hair decreased from attraction to repulsion. Increase in pH didn’t change the partition of neutral chemicals significantly. Based on the new physicochemical insight of the pH effect on hair-water partition, a new QSPR model has been proposed, taking into account of both the hydrophobic interaction and electrostatic interaction of chemical with hair fiber.

Item Type: Article
Divisions : Faculty of Engineering and Physical Sciences > Chemical and Process Engineering
Authors :
NameEmailORCID
Li, L
Yang, S
Chen, TaoT.Chen@surrey.ac.uk
Han, L
Lian, Guopingg.lian@surrey.ac.uk
Date : 18 December 2017
Identification Number : 10.1016/j.xphs.2017.12.010
Copyright Disclaimer : © 2018 American Pharmacists Association®. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/
Uncontrolled Keywords : Partition coefficient, QSPR, pH, Static charge, Absorption, Physicochemical.
Depositing User : Melanie Hughes
Date Deposited : 14 Dec 2017 11:37
Last Modified : 16 Mar 2018 17:06
URI: http://epubs.surrey.ac.uk/id/eprint/845266

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