Computational Design of Flexible Electride with Nontrivial Band Topology

Electrides, with their excess electrons distributed in crystal cavities playing the role of anions, exhibit a variety of unique electronic and magnetic properties. In this work, we employ the first-principles crystal structure prediction to identify a new prototype of A3B electride in which both interlayer spacings and intralayer vacancies provide channels to accommodate the excess electrons in the crystal. This A3B type of structure is calculated to be thermodynamically stable for two alkaline metals oxides (Rb3O and K3O). Remarkably, the unique feature of multiple types of cavities makes the spatial arrangement of anionic electrons highly flexible via elastic strain engineering and chemical substitution, in contrast to the previously reported electrides characterized by a single topology of interstitial electrons. More importantly, our first-principles calculations reveal that Rb3O is a topological Dirac nodal line semimetal, which is induced by the band inversion at the general electronic k momentums in the Brillouin zone associated with the intersitial electric charges. The discovery of flexible electride in combining with topological electronic properties opens an avenue for electride design and shows great promises in electronic device applications

The Viscoelasticity Model of Corn Straw under the Different Moisture Contents

Viscoelastic model of corn straw, based on different moisture contents, is set up to characterise the deformation through three-point bending test. The model contains a linear elastic element, a damping element, and a nonlinear elastic element. The parameters of the model are determined according to the features of three-point bending test curve and characteristic of the model. The relationships between mechanical properties, energy absorption behavior of corn stalk, and moisture content have been, respectively, analysed. And regression analysis and curve fitting have been conducted based on various parameters and moisture contents with Matlab. These parameters provide the basis for straw crushing equipment design

Aqua­(2,2′-bipyrimidine-κ2 N,N′)(succin­ato-κ2 O 1,O 4)copper(II) dihydrate

In the crystal structure of the title compound, [Cu(C4H4O4)(C8H6N4)(H2O)]·2H2O, the CuII atom is chelated by a 2,2′-bipyrimidine (bpm) ligand and a succinate anion in the basal plane; a water mol­ecule in the apical position completes the slightly distorted square-pyramidal coordination geometry. Another carboxyl­ate O atom from an adjacent complex is located in the opposite apical direction, with a Cu⋯O distance of 2.706 (3) Å, and is not considered as a bridging atom. Extensive O—H⋯O and O—H⋯N hydrogen bonding is present in the crystal structure

Aqua­bis(2-amino-1,3-thia­zole-4-acetato-κ2 O,N 3)nickel(II)

In the crystal structure of the title compound, [Ni(C5H5N2O2S)2(H2O)], the NiII cation is located on a twofold rotation axis and chelated by two 2-amino-1,3-thia­zole-4-acetate (ata) anions in the basal coordination plane; a water mol­ecule located on the same twofold rotation axis completes the distorted square-pyramidal coordination geometry. Inter­molecular O—H⋯O and N—H⋯O hydrogen bonding, as well as π–π stacking between parallel thia­zole rings [centroid–centroid distance 3.531 (8) Å], helps to stabilize the crystal structure

Clinicopathological characteristics and prognostic analysis of Lauren classification in gastric adenocarcinoma in China

BACKGROUND: According to the Lauren classification, gastric adenocarcinomas are divided into diffuse and intestinal types. The causative attribution explaining the dismal prognosis of diffuse-type remains unknown. METHODS: We examined the archive of 1000 patients with gastric adenocarcinomas who received radical gastrectomy in our center and assessed the effect of the Lauren classification on survival in a multivariate approach. Moreover we compared the variation of clinical features between the diffuse-type and intestinal-type and explored the contributing factors for the prognostic difference. RESULTS: There were 805 resectable patients for the final analysis. Diffuse-type comprised of 48.7% in the gastric carcinoma in our group and showed poorer prognosis than intestinal-type (P=0.013). Multivariate analysis revealed that independent prognostic factors for gastric carcinoma patients were T stage (P<0.001), N stage (P<0.001) tumor size (P<0.001) and Lauren classification (P=0.003). For the clinical features, diffuse-type was significantly associated with younger age (p<0.001), female preponderance (p <0.001), distal location (P<0.001), advanced pT (p < 0.001), advanced pN (p < 0.001) and advanced TNM stage (p = 0.027). CONCLUSIONS: Diffuse type adenocarcinoma carries a worse prognosis that may be partially explained by the tendency of this subtype to present at more advanced T and N stage. However, Lauren classification has prognostic significance that is independent of T and N stage as well as other prognostic variables based on the multivariate cox analysis

Clearance of Free Silica in Rat Lungs by Spraying with Chinese Herbal Kombucha

The effects of spraying with kombucha and Chinese herbal kombucha were compared with treatments with tetrandrine in a rat silicosis model. Silica dust (50 mg) was injected into the lungs of rats, which were then treated with one of the experimental treatments for a month. The rats were then killed and the effects of the treatments were evaluated by examining the extent and severity of the histopathological lesions in the animals’ lungs, measuring their organ coefficients and lung collagen contents, determining the dry and wet weights of their lungs, and measuring the free silica content of the dried lungs. In addition, lavage was performed on whole lungs taken from selected rats, and the numbers and types of cells in the lavage fluid were counted. The most effective treatment in terms of the ability to reduce lung collagen content and minimize the formation of pulmonary histopathological lesions was tetrandrine treatment, followed by Chinese herbal kombucha and non-Chinese herbal kombucha. However, the lavage fluid cell counts indicated that tetrandrine treatment had severe adverse effects on macrophage viability. This effect was much less pronounced for the kombucha and Chinese herbal kombucha treatments. Moreover, the free silica levels in the lungs of animals treated with Chinese herbal kombucha were significantly lower than those for any other silica-exposed group. These preliminary results indicate that spraying with Chinese herbal kombucha preparations can effectively promote the discharge of silica dust from lung tissues. Chinese herbal kombucha inhalation may thus be a useful new treatment for silicosis and other pneumoconiosis diseases