Effect of gate voltage on spin transport along α\alpha-helical protein

Recently, the chiral-induced spin selectivity in molecular systems has attracted extensive interest among the scientific communities. Here, we investigate the effect of the gate voltage on spin-selective electron transport through the $\alpha$-helical peptide/protein molecule contacted by two nonmagnetic electrodes. Based on an effective model Hamiltonian and the Landauer-B\"uttiker formula, we calculate the conductance and the spin polarization under an external electric field which is perpendicular to the helix axis of the $\alpha$-helical peptide/protein molecule. Our results indicate that both the magnitude and the direction of the gate field have a significant effect on the conductance and the spin polarization. The spin filtration efficiency can be improved by properly tuning the gate voltage, especially in the case of strong dephasing regime. And the spin polarization increases monotonically with the molecular length without the gate voltage, which is consistent with the recent experiment, and presents oscillating behavior in the presence of the gate voltage. In addition, the spin selectivity is robust against the dephasing, the on-site energy disorder, and the space angle disorder under the gate voltage. Our results could motivate further experimental and theoretical works on the chiral-based spin selectivity in molecular systems.Comment: 8 pages, 7 figure

DEFINE: friendship detection based on node enhancement

Network representation learning (NRL) is a matter of importance to a variety of tasks such as link prediction. Learning low-dimensional vector representations for node enhancement based on nodes attributes and network structures can improve link prediction performance. Node attributes are important factors in forming networks, like psychological factors and appearance features affecting friendship networks. However, little to no work has detected friendship using the NRL technique, which combines students’ psychological features and perceived traits based on facial appearance. In this paper, we propose a framework named DEFINE (No enhancement based r e dship D tection) to detect students’ friend relationships, which combines with students’ psychological factors and facial perception information. To detect friend relationships accurately, DEFINE uses the NRL technique, which considers network structure and the additional attributes information for nodes. DEFINE transforms them into low-dimensional vector spaces while preserving the inherent properties of the friendship network. Experimental results on real-world friendship network datasets illustrate that DEFINE outperforms other state-of-art methods. © 2020, Springer Nature Switzerland AG.E

4-(1H-Tetra­zol-5-yl)benzoic acid monohydrate

The asymmetric unit of the title compound, C8H6N4O2·H2O, consists of one 4-(1H-tetra­zol-5-yl)benzoic acid mol­ecule and one water mol­ecule. Hydrogen-bonding and π–π stacking (centroid–centroid distance between tetra­zole and benzene rings = 3.78 Å) inter­actions link the mol­ecules into a three-dimensional network

Spontaneously induced general relativity with holographic interior and general exterior

We study the spontaneously induced general relativity (GR) from the scalar-tensor gravity. We demonstrate by numerical methods that a novel inner core can be connected to the Schwarzschild exterior with cosmological constants and any sectional curvature. Deriving an analytic core metric for a general exterior, we show that all the nontrivial features of the core, including the locally holographic entropy packing, are universal for the general exterior in static spacetimes. We also investigate whether the f(R) gravity can accommodate the nontrivial core.Comment: 16 pages, 5 figures; v3: clarification improved, revised version accepted by PL

catena-Poly[zinc(II)-bis­[μ2-3-(3-pyrid­yl)­benzoato]-κ2 O:N;κ2 N:O]

In the title compound, [Zn(C12H8NO2)2]n, the Zn2+ cation is coordinated by a pair of carboxyl­ate O atoms as well as two pyridyl N atoms to afford a distorted tetra­hedral environment. Adjacent Zn2+ cations, with a separation of 8.807 (2) Å, are linked by two 3-(3-pyrid­yl)benzoate ligand bridges, generating an infinite ribbon extending parallel to [001]

Seasonal variation in systemic lupus erythematosus and rheumatoid arthritis: an ecological study In based on internet searches

Systemic lupus erythematosus (SLE) is a prototypical autoimmune disease in which immune regulation is disrupted and characterized by intense inflammation and damage to multiple organs or systems. Rheumatoid arthritis (RA) is another systemic autoimmune disease characterized by chronic synovial joint inflammation that leads to disability and poor quality of life. Although the etiologies and pathogenesis of SLE and RA are not fully understood, it is generally accepted that they are both caused by interactions between genetic and environmental factors. In recent years, emerging studies have demonstrated the potential role of seasonality in the development and disease activity of variety of autoimmune diseases [[1], [2], [3]]

Spontaneous breaking and re-making of the RS-Au-SR staple in self-assembled ethylthiolate/Au(111) interface

The stability of the self-assembled RS–Au–SR (R = CH₂CH₃)/Au­(111) interface at room temperature has been investigated using scanning tunneling microscopy (STM) in conjunction with density functional theory (DFT) and MD calculations. The RS–Au–SR staple, also known as Au-adatom-dithiolate, assembles into staple rows along the [112̅] direction. STM imaging reveals that while the staple rows are able to maintain a static global structure, individual staples within the row are subjected to constant breaking and remaking of the Au–SR bond. The C₂S–Au–SC₂/Au­(111) interface is under a dynamic equilibrium and it is far from rigid. DFT/MD calculations show that a transient RS–Au–Au–SR complex can be formed when a free Au atom is added to the RS–Au–SR staple. The relatively high reactivity of the RS–Au–SR staple at room temperature could explain the reactivity of thiolate-protected Au nanoclusters, such as their ability to participate in ligand exchange and intercluster reactions