Molecular dynamics simulations of single polyethylene chain folding during fast quenching using all-atom and united-atom models.

Molecular dynamics simulations have been employed to investigate the folding behavior of a single linear polyethylene (PE) chain containing 1000 backbone carbon atoms under fast quenching based on all-atom and united-atom models. The single-chain folding characteristics were studied in detail for six different force fields by analyzing the evolution of chain conformations, folded structure characterisation, free energy and crystallisation. The results show that the all- chain undergoes a similar two-stage chain collapse mechanism during isothermal relaxation at = 500 K, transitioning from local collapse to global collapse into a molten globule state under different force fields.

Quantile regression analysis of the association between parental rearing and interpersonal sensitivity in Chinese adolescents.

Background: Parental rearing is well documented as an important influencing factor of interpersonal sensitivity (IS). However, little research has focused on the extent by which various aspects of parental rearing in fluence IS. This study aimed to analyze the effects of parental rearing on IS, using quantile regression.

Metal-Ions Intercalation Mechanism in Layered Anode From First-Principles Calculation.

Layered structure (MoS) has the potential use as an anode in metal-ions (M-ions) batteries. Here, first-principles calculations are used to systematically investigate the diffusion mechanisms and structural changes of MoS as anode in lithium (Li)-, sodium (Na)-, magnesium (Mg)- and Zinc (Zn)-ions batteries. Li and Na ions are shown to be stored in the MoS anode material due to the strong adsorption energies (~-2.

Low Ca concentration doping enhances the mechanical properties and ionic conductivity of NaPS superionic conductors based on first-principles.

The mechanical strength and ionic conductivity of sulfide solid electrolytes have received widespread attention for their application in solid sodium batteries. Herein, first-principles calculations are used to determine the properties, including the electronic, mechanical and ionic transport properties, of Na3PS4 sulfide solid electrolytes doped with low and high Ca ion concentrations. Our theoretical results demonstrate that low Ca ion concentrations can be easily doped in tetragonal and cubic phases (t-Na3PS4 and c-Na3PS4) and create a suitable number of Na vacancies based on the formation energy analysis.

Effects of Grain Size and Twin Layer Thickness on Crack Initiation at Twin Boundaries.

A theoretical model to explore the effect on crack initiation of nanotwinned materials was proposed based on the accumulation of dislocations at twin boundaries. First, a critical cracking initiation condition was established considering the number of dislocations pill-up at TBs, grain size and twin layer thickness, and a semi-quantitative relationship between the crystallographic orientation and the stacking fault energy was built. In addition, the number of dislocations pill-up was described by introducing the theory of strain gradient.

Bone morphogenetic protein-7 inhibits endothelial-mesenchymal transition in pulmonary artery endothelial cell under hypoxia.

Pulmonary artery hypertension (PAH) is characterized by structural changes in pulmonary arteries. Increased numbers of cells expressing α-smooth muscle actin (α-SMA) is a nearly universal finding in the remodeled artery. It has been confirmed endothelial-to-mesenchymal transition (EndoMT) may be a source of those α-SMA-expressing cells.

[Cytological comparison of anther and pollen growth in Liriope spicata var. prolifera and L. spicata].

Objective: To compare the difference of anther and pollen growth between Liriope spicata var. prolifera and L. spicate, and investigate the mechanism of the sterility of Liriope spicata var.

[Callus induction and plant regeneration of Liriope spicata var. prolifera anther].

Objective: To study the technique of the callus induction from anther and plant regeneration of medicinal plants Liriope spicata var. prolifera.

Method: Callus was induced from anther of L.

[Comparative study on meiotic behavior and pollen development of medicinal plants Liriope spicata var. prolifera and L. spicata].

Objective: To reveal the mechanism of sterility of Liriope spicata var. prolifera.

Method: Meiotic behavior and pollen development of L.

Anti-diabetic effects of water extract and crude polysaccharides from tuberous root of Liriope spicata var. prolifera in mice.

Aim Of The Study: The present study was designed to investigate the hypoglycemic and hypolipidemic effects of the water extract (WE) and crude polysaccharides (CPs) obtained from the tuberous root of Liriope spicata (Thund.) var. prolifera Y.