Chemical Diversity and Potential Target Network of Woody Peony Flower Essential Oil from Eleven Representative Cultivars (Paeonia × suffruticosa Andr.).

Woody peony (Paeonia × suffruticosa Andr.) has many cultivars with genetic variances. The flower essential oil is valued in cosmetics and fragrances. This study was to investigate the chemical diversity of essential oils of eleven representative cultivars and their potential target network. Hydro-distillation afforded yields of 0.11-0.25%. Essential oils were analyzed by GC-MS and GC-FID which identified 105 compounds. Three clusters emerged from multivariate analysis, representative of phloroglucinol trimethyl ether ('Caihui'), citronellol ('Jingyu', 'Zhaofen' and 'Baiyuan Zhenghui') and mixed (the rest of the cultivars) chemotypes. 'Zhaofen' and 'Jingyu' also exhibited low levels of other rose-related compounds. The main components were subjected to a target network approach. Drug-likeness screening gave 20 compounds with predictive blood-brain barrier permeation. Compound target network identified six key compounds, namely nerol, citronellol, geraniol, geranic acid, cis-3-hexen-1-ol and 1-hexanol. Top enriched terms in GO, KEGG and DisGeNET were mostly related to the central nervous system (CNS). Protein-protein interactions revealed a core network of 14 targets, 11 of which were CNS-related (targets for antidepressants, analgesics, antipsychotics, anti-Alzheimer's and anti-Parkinson's agents). This work provides useful information on the production of woody peony essential oils with specific chemotypes and reveals their potential importance in aromatherapy for alternative treatment of CNS disorders.

Comparative Chemical Profiles of Essential Oils and Hydrolate Extracts from Fresh Flowers of Eight Paeonia suffruticosa Andr. Cultivars from Central China.

Paeonia suffruticosa Andr. is a famous ornamental and aromatic plant with hundreds of cultivars in China. The objective of this work was to investigate comparative chemical profiles of essential oils and hydrolate extracts from eight P. suffruticosa Andr. cultivars from Central China. The percentages of hydrocarbons in hydrolate extracts (≤1.1%) were significantly lower than those in the essential oils (29.8⁻63.7%). The percentages of oxygenated compounds in hydrolate extracts (98.3⁻99.8%) were significantly higher than those in the essential oils (34.8⁻69.6%). Multivariate analyses with hierarchical clusters and principal components further indicated the chemical differences between essential oils and hydrolate extracts. Due to predominance of oxygenated compounds and almost trace level of hydrocarbons, P. suffruticosa Andr. hydrolate extracts could be good alternatives to the essential oils. Moreover, distribution of major oxygenated compounds in hydrolate extracts varied with cultivars. Hydrolate extracts from 'SHT', 'WLPS' and 'BXT' presented chemotypes of methylated phenols (65.0%), 2-phenylethanol (64.4%) and geraniol + citronellol + nerol (59.9%), respectively. Those from five other cultivars presented somewhat mixed chemotypes. These results were further confirmed by quantitative evaluation relative to the major oxygenated compounds. The outcome of this work will promote applications of P. suffruticosa Andr. hydrolate extracts in fragrances and cosmetics.

Water-soluble essential oil components of flowers of Paeonia × suffruticosa cultivars and in silico analysis with antidepressant targets.

The present study focused on water-soluble essential oil recovered from the hydrolate of ten Paeonia × suffruticosa cultivars. Thirty-seven components, mostly oxygenated compounds (94.6-99.6%), were detected by gas chromatography-mass spectrometry (GC-MS) and GC-flame ionisation detector (GC-FID). The geranic acid chemotype was discovered (in cultivar 'Lan BaoShi'). Eight key oxygenated components were analysed in silico with antidepressant targets sodium-dependent serotonin transporter (SERT), 5-hydroxytryptamine receptor 1 A (5-HT1A), and monoamine oxidase type A (MAO-A). Geraniol, nerol, citronellol, and geranic acid presented superior docking properties. Phenylethyl alcohol and 1,3,5-trimethoxybenzene were also well docked. These molecules were bound to the active sites successfully (with partial occupancy in SERT). They might increase serotonin level or mimic its effect in central nervous system. (Z)-3-Hexen-1-ol and 1-hexanol showed weak binding. The in silico analysis revealed for the first time that the key water-soluble essential oil components of P. × suffruticosa potentially targeted antidepressant targets.

[Study on the enzyme extraction process of hypericin by pectinase].

OBJECTIVE: To explore the best enzyme and optimal conditions for extracting Hypericin from Hypericum perforatum. METHODS: Chose the best enzyme from Pectinase, Xylanase, Glucanase, beta-Glucanase and Enzyme (SPE-007A). The effeet of solid-liquid ratio enzyme dosage, PH, temperature and the extraction time were investigated by L9 (3(4)) orthogonal design using extraction rate and the content of Hypericin as assessment index. RESULTS: The best enzyme was Pectinase and the optimum extraction process was as follows: PH 4.6, enzyme dosage 1.5%, temperature 50 degrees C, extraction time 5 h, liquid-solid ratio 15 times. CONCLUSION: This method is efficient and stable. It could be used in the future research of Hypericum perforatum.

[Quality standard of stewed rhizoma polygonati with yellow wine].

OBJECTIVE: To improve the quality standard of stewed Rhizoma Polygonati with yellow wine. METHODS: On the basis of Chinese Pharmacopoeia 2010, some items were added, which included assay of reducing sugars, water-soluble extracts, acid insoluble ash content and 5-hydroxymethylfurfural. RESULTS: Reducing sugars was no less than 34.0%, water-soluble extracts no less than 19.0%, acid insoluble ash content no more than 0.2%, 5-hydroxymethylfurfural no more than 0.02%. CONCLUSION: The quality standard of stewed Rhizoma Polygonati with yellow wine is improved on the basis of Chinese Pharmacopoeia.

Chemical composition of hydrosol volatiles of flowers from ten Paeonia × suffruticosa Andr. cultivars from Luoyang, China.

Hydrosol volatiles from flowers of ten Paeonia × suffruticosa Andr. cultivars were analysed by gas chromatography-mass spectrometry (GC-MS) and GC-flame ionisation detector (GC-FID) for the first time. Fifty components were identified representing 97.6-99.8% of total composition, in which oxygenated compounds (87.4-99.8%) predominated. Hydrosol volatiles of five and two cultivars presented chemotypes of 2-phenylethanol (48.0-79.5%) and 1,3,5-trimethoxybenzene (72.8%, 50.2%), respectively. Hydrosol volatiles of 'XYTH' rich in ß-citronellol (57.2%) probably represented a newly defined chemotype with ß-citronellol percentage over 50%. 'GFCC' hydrosol volatiles presented a balanced profile with 1,3,5-trimethoxybenzene (31.9%), ß-citronellol (31.5%) and 2-phenylethanol (23.0%). 'LHZL' hydrosol volatiles were distinct from others due to occurrence of 6,9-heptadecadiene (2.0%), 2-heptanol (1.8%), pentadecane (1.5%), (Z)-3-nonen-1-ol (1.1%) and geraniol (15.7%). Chemotype characterisation of P. × suffruticosa Andr. hydrosols was of significance considering numerous cultivars of the species and potential applications of the hydrosols.

Chemical composition of essential oils and hydrosols from fresh flowers of Cerasus subhirtella and Cerasus serrulata from East China.

Essential oils and hydrosols from fresh flowers of Cerasus subhirtella (Miq.) Sok. and Cerasusserrulata (Lindl.) London from East China were analysed by gas chromatography and gas chromatography-mass spectrometry for the first time. The major components of the essential oils from C. subhirtella and C.serrulata were benzaldehyde (31.2% and 42.1%, respectively), tricosane (23.1% and 27.7%, respectively) and pentacosane (23.2% and 19.0%, respectively). The main constituents of the hydrosol volatiles from C. subhirtella and C.serrulata were benzaldehyde (67.5% and 64.3%, respectively) and mandelonitrile (12.5% and 12.4%, respectively). Benzaldehyde was the key component of the essential oils, while benzaldehyde as well as mandelonitrile was the principal compound of the hydrosols.