PMID- 28095424 OWN - NLM STAT- MEDLINE DCOM- 20170808 LR - 20240327 IS - 1932-6203 (Electronic) IS - 1932-6203 (Linking) VI - 12 IP - 1 DP - 2017 TI - Investigation of Inclusion Complex of Patchouli Alcohol with beta-Cyclodextrin. PG - e0169578 LID - 10.1371/journal.pone.0169578 [doi] LID - e0169578 AB - The objective of this study was to improve the stability and water-solubility of patchouli alcohol by complexing with beta-cyclodextrin (beta-CD). The interactions between patchouli alcohol and beta-CD were characterized by differential scanning calorimetry (DSC), Fourier transformation-infrared (FT-IR) spectroscopy, powder X-ray diffraction (PXRD), and Scanning electron microscope (SEM), respectively. According to molecular modeling method, the enthalpy formation of host-guest illustrated the predominant configuration and the lowest value DeltabGo was -10.8174+/-1.9235 kcal/mol, suggesting the complex could reduce the energy of the system. The characterization analysis confirmed the formation of PA-CD inclusion complex, and the results indicated the advantage of the inclusion complex in stability and dissolution rates. These results identified PA-CD inclusion complex an effective way for the storage of PA, and better inclusion method still needed to be studied. FAU - Xu, Fangfang AU - Xu F AD - The Second Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangdong Provincial Academy of Chinese Medical Sciences, Guangzhou, China. FAU - Yang, Qiuxia AU - Yang Q AD - The Second Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangdong Provincial Academy of Chinese Medical Sciences, Guangzhou, China. AD - Guangdong Pharmaceutical University, College of Traditional Chinese Medicine, Guangzhou, China. FAU - Wu, Lilan AU - Wu L AD - The Second Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangdong Provincial Academy of Chinese Medical Sciences, Guangzhou, China. FAU - Qi, Rui AU - Qi R AD - The Second Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangdong Provincial Academy of Chinese Medical Sciences, Guangzhou, China. FAU - Wu, Yunshan AU - Wu Y AD - The Second Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangdong Provincial Academy of Chinese Medical Sciences, Guangzhou, China. FAU - Li, Yucui AU - Li Y AD - College of Chinese Medicines, Guangzhou University of Chinese Medicine, Guangzhou, China. FAU - Tang, Lipeng AU - Tang L AD - The Second Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangdong Provincial Academy of Chinese Medical Sciences, Guangzhou, China. FAU - Guo, De-An AU - Guo DA AD - The Second Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangdong Provincial Academy of Chinese Medical Sciences, Guangzhou, China. AD - Guangdong Pharmaceutical University, College of Traditional Chinese Medicine, Guangzhou, China. AD - Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 501 Haike Road, Shanghai, China. FAU - Liu, Bo AU - Liu B AD - The Second Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangdong Provincial Academy of Chinese Medical Sciences, Guangzhou, China. LA - eng PT - Journal Article DEP - 20170117 PL - United States TA - PLoS One JT - PloS one JID - 101285081 RN - 0 (Sesquiterpenes) RN - 0 (beta-Cyclodextrins) RN - HHH8CPR1M2 (patchouli alcohol) SB - IM MH - Calorimetry, Differential Scanning MH - Inclusion Bodies/*chemistry/*metabolism MH - Models, Molecular MH - Sesquiterpenes/*chemistry/*metabolism MH - Solubility MH - Spectroscopy, Fourier Transform Infrared MH - Thermodynamics MH - X-Ray Diffraction MH - beta-Cyclodextrins/*chemistry/*metabolism PMC - PMC5240955 COIS- The authors have declared that no competing interests exist. EDAT- 2017/01/18 06:00 MHDA- 2017/08/09 06:00 PMCR- 2017/01/17 CRDT- 2017/01/18 06:00 PHST- 2016/08/09 00:00 [received] PHST- 2016/12/05 00:00 [accepted] PHST- 2017/01/18 06:00 [entrez] PHST- 2017/01/18 06:00 [pubmed] PHST- 2017/08/09 06:00 [medline] PHST- 2017/01/17 00:00 [pmc-release] AID - PONE-D-16-28616 [pii] AID - 10.1371/journal.pone.0169578 [doi] PST - epublish SO - PLoS One. 2017 Jan 17;12(1):e0169578. doi: 10.1371/journal.pone.0169578. eCollection 2017.