ABSTRACT
The molecular electronegativity-distance vector (MEDV) was used to describe the chemical structural characterization of 46 components of essential oils in the flower of Rosa banksiae. Various multiple linear regression (MLR) models were created with variable screening by the stepwise multiple regression technique and statistics. The QSRR models of 10 and 6 variables were built by MLR with the correlation coefficients (R) of molecular modeling being 0.906 and 0.903. Cross-validation of the models, which contain selected vectors were performed by leave-one -out procedure (LOO) and the satisfied results with correlation coefficients (Rcv) of 0.904 and 0.903, respectively. The results showed that the models constructed can provide estimation stability and favorable predictive ability.
Subject(s)
Flowers , Chemistry , Linear Models , Molecular Structure , Oils, Volatile , Chemistry , Plants, Medicinal , Chemistry , Quantitative Structure-Activity Relationship , Regression Analysis , Rosa , ChemistryABSTRACT
Objective To explore the effect of bergamots volatile oil on relieving cough,asthma and eliminating phlegm in asthmatic rats and guinea-pig.Methods Bergamot essential oil was extracted by steam distillation,and the experimental guinea-pigs and mice were divi-ded into 3 groups with high,moderate and low doses of bergamot essential oil respectively(1.080,0.540,0.108 g?kg-1for guinea pig,1.753,0.877,0.175 g?kg-1 for mice).The other group were pre-treated with normal saline as model control group,and animals were fed with acute-brochisis-syrup,aminophylline,and xianzhuli oral-liquid as positive drug control groups.After the medication,the guinea pigs were sprayed with citric acid or histamine in a confined glass to induce cough or asthma,while the latent period of cough or asthma attack was detected.The mice were injected phenol red solution through the abdominal cavity,and the tracheal phenol red secretion volume was measured.Results The latent period of cough in high,moderate and low dose of bergamot volatile oil groups and acute-brochisis-syrup group were significantly longer than that of the model control group(Pa