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In order to expand the comparative analysis of electronic and magnetic properties of transition metal phosphate materials MPS3, the article selected iron-based transition elements Fe, Co, and Ni as metal atoms M. The configuration design and optimization of cluster MnPS3 were carried out at the calculation level of B3LYP/def2-tzvp using density functional theory, and the optimized configurations were obtained. Analysis of the electronic properties of the optimized configuration reveals thatthe electrons inside the cluster MnPS3 flow from the metal atom M and the non-metal atom P to the non-metal atom S; the S atom is the main site of the electrophilic reaction within the cluster; the electrons inside the metal atom are the main site of the nucleophilic reaction within the cluster; the configurations 2a(2), 2b(2), 3a(4), 3b(3) and 3c(2) have larger mobility of electrons and optimal electronic properties.The analysis of the magnetic properties of the optimized configurations shows that, the magnetic properties of cluster MnPS3 are also determined by the spin motion of α electrons in the p orbital, and the contribution of metal atoms to the magnetic properties of cluster MnPS3 is relatively large; the magnetic properties of configurations 1b(3), 2c(4) and 3a(4) are relatively larger than those of other configurations of the same size.

To investigate the chemical constituents from the ethanol extract of Patrinia villosa.Various column chromatographic methods including silica gel and Sephadex LH-20 were used for the isolation and purification. Chemical structures were elucidated on the basis of spectroscopic analysis.Six compounds were isolated and identified as 8,9-didehydro-7-hydroxydolichodial-1-dimethyl acetal ( 1), 8,9-didehydro-7-hydroxydolichodial( 2),ursolic acid( 3), 3-O-methylquercetin( 4),luteolin( 5) and kaempferol-3-O-arabinoside( 6).Compound 1 is a new secoiridoid,and compounds 2,4,6 are isolated from the Patrinia genus for the first time.

To evaluate the relationship between bone mass and risk of breast cancer and to determine the effect of raloxifene therapy on breast cancer incidence in women categorized by bone mass into low bone mass and osteoporosis subgroups.In this post hoc analysis, data were analyzed from the Multiple Outcomes of Raloxifene Evaluation (MORE) trial, enrolling postmenopausal women with low bone mass (N = 7705), and the Continuing Outcomes Relevant to Evista (CORE) trial, a follow-up to MORE enrolling 4011 MORE participants. Total follow-up was for up to 8 years. Women with a total hip bone mineral density (BMD) T-score-1 to-2.5 or T-scoreor = -2.5 (referent, NHANES III database) were classified as having low bone mass or osteoporosis, respectively. Women with a pre-existing vertebral fracture were considered as having osteoporosis irrespective of BMD T-score. Analyses were performed for invasive breast cancers and invasive estrogen-receptor (ER) positive breast cancers.Women with low bone mass (N = 3829) had a twofold higher incidence of invasive ER-positive breast cancer than those with osteoporosis (N = 3836) (HR 2.13, 95% CI 1.12-4.03). The incidence of all invasive breast cancers did not differ significantly between the bone mass groups. The incidences of invasive and invasive ER-positive breast cancers were 65-78% lower in women assigned raloxifene versus placebo in both the low bone mass and osteoporosis groups (p0.05).In this post hoc analysis of postmenopausal women participating in MORE and CORE, bone mass was a predictor of invasive ER-positive breast cancer. Raloxifene treatment reduced the risk of invasive and invasive ER-positive breast cancers in women with low bone mass and those with osteoporosis. Since participants were older postmenopausal women with low bone mass, whether these findings can be generalized to other postmenopausal women is unclear.