Relationships between the structure characteristics of natural p-terphenyl com- pounds isolated from three edible mushrooms (Thelephora ganbajun, Thelephora aeronautical, and Boletopsis grisea) indigenous to China and their mechanism of antioxidant activity were studied. Geometry structures of terphenyl molecule and four corresponding radicals, bond dissociation energy (BDE), frontier orbitals (HOMO and LUMO) and single electron density were calculated using DFT methods (B3LYP/6-311G**). The computational results which are consistent with the experimental data well show that terphenyl molecule scavenges DPPH radical by hydrogen abstract mechanism and the high antioxidant activity depends on the substitution position of hydroxyls. Two active 7-, 8-hydroxyls facilitate the hydrogen abstraction due to the intramolecular hydrogen bond and the resonance effect makes 4-hydroxyl radical more stable.
Count data with excess zeros are often encountered in many medical,biomedical and public health applications.In this paper,an extension of zero-inflated Poisson mixed regression models is presented for dealing with multilevel data set,referred as hierarchical mixture zero-inflated Poisson mixed regression models.A stochastic EM algorithm is developed for obtaining the ML estimates of interested parameters and a model comparison is also considered for comparing models with different latent classes through BIC criterion.An application to the analysis of count data from a Shanghai Adolescence Fitness Survey and a simulation study illustrate the usefulness and effectiveness of our methodologies.
