Density Functional Study of Structures and Electron Affinities of BrO4F/BrO4F−

The structures, electron affinities and bond dissociation energies of BrO4F/BrO4F− species have been investigated with five density functional theory (DFT) methods with DZP++ basis sets. The planar F-Br…O2…O2 complexes possess 3A′ electronic state for neutral molecule and 4A′ state for the corresponding anion. Three types of the neutral-anion energy separations are the adiabatic electron affinity (EAad), the vertical electron affinity (EAvert), and the vertical detachment energy (VDE). The EAad value predicted by B3LYP method is 4.52 eV. The bond dissociation energies De (BrO4F → BrO4-mF + Om) (m = 1–4) and De− (BrO4F− → BrO4-mF− + Om and BrO4F− → BrO4-mF + Om−) are predicted. The adiabatic electron affinities (EAad) were predicted to be 4.52 eV for F-Br…O2…O2 (3A′←4A′) (B3LYP method)

Food production and agricultural systems on the southwestern frontier of the Han Empire: archaeobotanical remains from the 2016 excavation of Hebosuo, Yunnan

Dian Basin in Yunnan province is an important center for both early agricultural production and centralized state formation. Settled agricultural villages are present in the province since at least the third millennium BC, and by the first millennium BC, the Dian Culture, a highly specialized bronze polity, flourished in the Dian Basin and surrounding area, until it was conquered by the Han in 109 BC. The increased deployment of flotation at recent archaeological excavations in Yunnan allowed the reconstruction of agricultural practices from the Neolithic to the early Bronze Age, documented at Baiyangcun, Haimenkou, and Xueshan among others. However, archaeobotanical evidence relating to the pivotal period right before and after the Han conquest have so far been lacking, with only limited written records about agricultural production in the Shiji by Sima Qian. Here we present for the first time direct archaeobotanical evidence relating to this transitional period as revealed by rich Han period deposits found during the 2016 excavation of Hebosuo, the largest Dian settlement investigated in Yunnan so far, dated by direct AMS on charred cereal grains and artefactual evidence as spanning from between 850 BC–220 AD. Following the Han conquest, the main components of the agricultural system did not undergo radical changes, but the weedy flora indicates a heavier reliance of wet-land rice systems, evidencing a higher level of water management or even irrigation practices, and the consequent intensification of the agricultural production. These findings on shifting agricultural regimes in Yunnan also contribute to current debates about the interplay between intensification, food risk, and ecology in times of political instability

Abnormalities of the Amygdala in schizophrenia: a real world study

Abstract Background Amygdala plays an important role in schizophrenia (SC), but its mechanisms are still unclear. Therefore, we investigated the relationship between the resting-state magnetic resonance imaging (rsMRI) signals of the amygdala and cognitive functions, providing references for future research in this area. Methods We collected 40 drug-naïve SC patients and 33 healthy controls (HC) from the Third People’s Hospital of Foshan. We used rsMRI and the automatic segmentation tool to extract the structural volume and local neural activity values of the amygdala and conducted Pearson correlation analysis with the Positive and Negative Syndrome Scale (PANSS) and the Repeatable Battery for the Assessment of Neuropsychological Status (RBANS) scores. Finally, we compared the clinical data, as well as the volume and functional changes of the amygdala in SC patients before and after treatment. Results Compared with HC, SC had widespread cognitive impairments, significant abnormalities in left amygdala function, while the reduction in volume of SC was not significant. Further Pearson correlation analysis with Bonferroni correction showed that only Immediate memory (learning) was significantly negatively correlated with fractional amplitude of low-frequency fluctuation (FALFF, r = -0.343, p = 0.001, p’ = 0.014 (Bonferroni correction)). When compared and analyzed the data difference of SC before and after treatment, we found that immediate memory and delayed memory of SC showed varying degrees of recovery after treatment (tlearning = -2.641, plearning = 0.011; tstory memory = -3.349, pstory memory = 0.001; tlist recall = -2.071, plist recall = 0.043; tstory recall = -2.424, pstory recall = 0.018). But the brain structure and function did not recover. Conclusion There was significant dysfunction in the amygdala in SC, and after conventional treatment, the function of the amygdala did not improve with the improvement of clinical symptoms and cognitive function

Immunogenicity and Safety of a Chemically Synthesized Divalent Group A Streptococcal Vaccine

Background. Group A streptococcus (GAS) infections and poststreptococcal sequelae remain a health problem worldwide, which necessitates searching for an effective vaccine, while no licensed GAS vaccine is available. We have developed a divalent peptide vaccine composed of 84 amino acids to cover the main GAS serotypes (M1 and M12 streptococci) in China, and herein, we aimed to evaluate immunogenicity and safety of this vaccine. Methods. Mice were immunized with the vaccine. ELISA, indirect bactericidal test, and immunofluorescent assay were used to study immunogenicity. GAS challenge assay was used to test the protective effect. Safety was tested by histopathological analysis. Results. Immunized group mice (n=16) developed higher titer antibody after immunization than nonimmunized group mice (n=16) did. This antibody can deposit on the surface of GAS and promote killing of GAS, resulting in 93.1% decrease of M1 GAS and 89.5% of M12 GAS. When challenged with M1 and M12 streptococci, immunized group mice had a higher survival rate (87.5% and 75%) than nonimmunized group mice (37.5% and 25%). No autoimmune reactions were detected on organs of mice. Conclusion. The results suggest that this vaccine shows fair immunogenicity and safety, which will lead our research on GAS vaccine into clinical trial