title: Influence of Temperature on Transdermal Penetration Enhancing Mechanism of Borneol: A Multi-Scale Study.
abstract: The influence of temperature on the transdermal permeation enhancing mechanism of borneol (BO) was investigated using a multi-scale method, containing a coarse-grained molecular dynamic (CG-MD) simulation, an in vitro permeation experiment, and a transmission electron microscope (TEM) study. The results showed that BO has the potential to be used as a transdermal penetration enhancer to help osthole (OST) penetrate into the bilayer. With the increasing temperature, the stratum corneum (SC) becomes more flexible, proving to be synergistic with the permeation enhancement of BO, and the lag time (TLag) of BO and OST are shortened. However, when the temperature increased too much, with the effect of BO, the structure of SC was destroyed; for example, a water pore was formed and the micelle reversed. Though there were a number of drugs coming into the SC, the normal bilayer structure was absent. In addition, through comparing the simulation, in vitro experiment, and TEM study, we concluded that the computer simulation provided some visually detailed information, and the method plays an important role in related studies of permeation.
authors.affiliation: Beijing University of Chinese Medicine, No.11 of North 3rd Ring East Road, Chaoyang District, Beijing 100029, China. qianqian.yin@tigermed.net.
authors.forename: Qianqian
authors.initials: Q
authors.lastname: Yin
authors.affiliation: Beijing University of Chinese Medicine, No.11 of North 3rd Ring East Road, Chaoyang District, Beijing 100029, China. wangran2017@sina.com.|School of Traditional Chinese Medicine, Capital Medical University, No. 10 of Xitoutiao Outside Youanmen, Fengtai District, Beijing 100069, China. wangran2017@sina.com.
authors.forename: Ran
authors.initials: R
authors.lastname: Wang
authors.affiliation: Beijing University of Chinese Medicine, No.11 of North 3rd Ring East Road, Chaoyang District, Beijing 100029, China. 18811795303@163.com.|Key Laboratory of TCM-information Engineer of State Administration of TCM, No. 11 of North 3rd Ring East Road, Chaoyang District, Beijing 100029, China. 18811795303@163.com.
authors.forename: Shufang
authors.initials: S
authors.lastname: Yang
authors.affiliation: Beijing University of Chinese Medicine, No.11 of North 3rd Ring East Road, Chaoyang District, Beijing 100029, China. hbjlwzm@163.com.|Key Laboratory of TCM-information Engineer of State Administration of TCM, No. 11 of North 3rd Ring East Road, Chaoyang District, Beijing 100029, China. hbjlwzm@163.com.
authors.forename: Zhimin
authors.initials: Z
authors.lastname: Wu
authors.affiliation: Beijing University of Chinese Medicine, No.11 of North 3rd Ring East Road, Chaoyang District, Beijing 100029, China. 18810820913@163.com.
authors.forename: Shujuan
authors.initials: S
authors.lastname: Guo
authors.affiliation: Beijing University of Chinese Medicine, No.11 of North 3rd Ring East Road, Chaoyang District, Beijing 100029, China. jolly_1987@163.com.|Key Laboratory of TCM-information Engineer of State Administration of TCM, No. 11 of North 3rd Ring East Road, Chaoyang District, Beijing 100029, China. jolly_1987@163.com.
authors.forename: Xingxing
authors.initials: X
authors.lastname: Dai
authors.affiliation: Beijing University of Chinese Medicine, No.11 of North 3rd Ring East Road, Chaoyang District, Beijing 100029, China. yjqiao@263.net.|Key Laboratory of TCM-information Engineer of State Administration of TCM, No. 11 of North 3rd Ring East Road, Chaoyang District, Beijing 100029, China. yjqiao@263.net.
authors.forename: Yanjiang
authors.initials: Y
authors.lastname: Qiao
authors.affiliation: Beijing University of Chinese Medicine, No.11 of North 3rd Ring East Road, Chaoyang District, Beijing 100029, China. shixinyuan01@163.com.|Key Laboratory of TCM-information Engineer of State Administration of TCM, No. 11 of North 3rd Ring East Road, Chaoyang District, Beijing 100029, China. shixinyuan01@163.com.
authors.forename: Xinyuan
authors.initials: X
authors.lastname: Shi
mesh_terms: D000279:Administration, Cutaneous; D000818:Animals; D001892:Camphanes / Q000008:administration & dosage* / Q000494:pharmacology*; D003374:Coumarins / Q000494:pharmacology; D008051:Lipid Bilayers / Q000737:chemistry; D056004:Molecular Dynamics Simulation; D051381:Rats; D012867:Skin / Q000187:drug effects / Q000648:ultrastructure; D013696:Temperature
chemical_list: D001892:Camphanes; D003374:Coumarins; D008051:Lipid Bilayers; C022871:isoborneol; C046627:osthol
keywords: borneol; coarse-grained; multi-scale; penetration enhancement; temperature