Surface Microstructure Study on Corona Discharge-Treated Polyethylene Using Positron Annihilation Spectroscopy.

The microstructure and chemical properties of the corona discharge process could provide an effective method for predicting the performance of high-voltage cable insulation materials. In this work, the depth profile of the microstructure and chemical characteristics of corona discharge-treated PE were extensively investigated using Doppler broadening of position annihilation spectroscopy accompanied with positron annihilation lifetime spectroscopy, attenuated total reflectance Fourier transform infrared spectra, Raman spectra and contact angle measurement. By increasing corona discharge duration, the oxygen-containing polar groups, including hydroxyl, carbonyl and ester groups, strongly contribute to the deterioration of hydrophobicity and the enhancement of hydrophilicity.

Theoretical calculations and experimental verification of carbon dioxide reduction electrocatalyzed by metalloporphyrin.

Metal-functionalized porphyrin-like graphene structures are promising electrocatalysts for carbon dioxide reduction reaction (CORR) as their metal centers can modulate activity. Yet, the role of metal center of metalloporphyrins (MTPPs) in CO reaction activity is still lacking deep understanding. Here, CORR mechanism on MTPPs with five different metal centers (M = Fe, Co, Cu, Zn and Ni) are examined by first-principles calculations.

High-Performance Hydrogen Evolution Reaction Catalytic Electrodes by Liquid Joule-Heating Growth.

Despite the great progress in the research of integrated catalytic electrodes for hydrogen evolution reaction, the efficient preparation of high-performance catalytic electrodes with high current density remains a challenging issue. In this work, a metal (Pt)-amorphous oxide (NiO) heterostructure catalyst is successfully in situ grown on nickel foam using liquid Joule-heating. Based on the superhydrophilic surface of the electrode and its superior mechanical and chemical stability, the catalytic electrode exhibits excellent catalytic performance in alkaline electrolytes with only 100 mV overpotential to achieve 5000 mA cm current density and maintains a stable performance of 500 h under a fixed current density of 1000 mA cm .

The unique photoelectronic properties of the two-dimensional Janus MoSSe/WSSe superlattice: a first-principles study.

Designing photocatalysts with suitable band alignment and considerable carrier mobility is extremely important. Here, by means of first-principles calculation, we systematically investigated the structural, photoelectronic, and carrier mobility behavior of the two-dimensional Janus MoSSe/WSSe superlattice. The results show that both armchair-type (A-SL) and zigzag-type (Z-SL) superlattices are relatively stable with negative values in the range of -2.

Crucial Role of Crystal Field on Determining the Evolution Process of Janus MoSSe Monolayer: A First-Principles Study.

Two-dimensional Janus MXY materials have been successfully synthesized from their parent species by CVD, SEAR, or PLD techniques. However, their detailed evolution process and underlying atomistic mechanism are far from understood conclusively, which are prompts for further research. Here, taking Janus MoSSe as a representation, the evolution process from MoS is systematically investigated by first-principles calculation.

Network Pharmacology and Molecular Docking Analysis Explores the Mechanisms of s in the Treatment of Oral Lichen Planus.

Objective: Oral lichen planus (OLP) is the most common potentially malignant disorder of the oral cavity. This study aimed to investigate the mechanism of action of in the treatment of OLP and provides a theoretical support for improving current treatment regimens for OLP.

Methods: The active components and therapeutic targets of were predicted and screened using the TCMSP, SymMap, PubMed, HIT 2.

The role of permanent and induced electrostatic dipole moments for Schottky barriers in Janus MXY/graphene heterostructures: a first-principles study.

The Schottky barrier height () is a crucial factor in determining the transport properties of semiconductor materials and it directly regulates the carrier mobility in opto-electronics devices. In principle, van der Waals (vdW) Janus heterostructures offer an appealing avenue for controlling the . However, the underlying atomistic mechanisms are far from understood conclusively, which prompts further research in the topic.

Which Is Better for Hydrogen Evolution on Metal@MoS Heterostructures from a Theoretical Perspective: Single Atom or Monolayer?

Single atom (SA)- and monolayer (ML)-supported catalysts are two main technical routines to increase electrochemical catalytic performance and reduce cost. To date, it is still a debate which one is better for catalysis in experiments as both routines face a puzzling problem of searching for balance between stability and catalytic activity. Here, hydrogen evolution on two-dimensional 2H-MoS with SA- and ML-adsorbed metal atoms (23 kinds in total) is taken as an example to solve this question by first-principles calculations.

Metabolomics based plasma biomarkers for diagnosis of oral squamous cell carcinoma and oral erosive lichen planus.

To identify diagnostic biomarkers for differentiating oral squamous cell carcinoma (OSCC) from oral erosive lichen planus (OELP) and investigate potential biomarkers associated with malignant transformation. In this study, 72 patients with OSCC, 75 patients with OELP subjects were recruited. Their plasma samples were analyzed by ultra-high-performance liquid chromatography quadrupole-Orbitrap high-resolution accurate mass spectrometry, (UHPLC/Q-Orbitrap HRMS).

The unique carrier mobility of monolayer Janus MoSSe nanoribbons: a first-principles study.

Charge-carrier mobility is a determining factor of the transport properties of semiconductor materials and is strongly related to the optoelectronic performance of nanoscale devices. Here, we investigate the electronic properties and charge carrier mobility of monolayer Janus MoSSe nanoribbons by means of first-principles simulations coupled with deformation potential theory. These simulations indicate that zigzag nanoribbons are metallic.

Effects of periodontitis on postoperative pneumonia in patients with lung and esophageal cancer.

Background: Few studies have been conducted on the relationship between chronic periodontitis and postoperative pneumonia (POP) in patients with lung and esophageal cancer. Furthermore, it remains controversial as to whether improving the periodontal condition of patients with lung and esophageal cancer before surgery reduces the incidence of POP. This retrospective study was conducted to assess the effects of periodontal therapy in patients with lung and esophageal cancer to prevent POP.

Polycrystalline Few-Layer Graphene as a Durable Anticorrosion Film for Copper.

Corrosion of metals in atmospheric environments is a worldwide problem in industry and daily life. Traditional anticorrosion methods including sacrificial anodes or protective coatings have performance limitations. Here, we report atomically thin, polycrystalline few-layer graphene (FLG) grown by chemical vapor deposition as a long-term protective coating film for copper (Cu).

Activity and selectivity of CO photoreduction on catalytic materials.

Photoreduction of molecular CO by solar light into added-value fuels or chemical feedstocks is an appealing strategy to simultaneously overcome environmental problems and energy challenges. However, multiple reaction steps and a large number of possible products have significantly hindered the development of highly selective catalysts capable of delivering CO conversion with high efficiency. Recently, several strategies associated with different conversion mechanisms have been proposed to improve the activity and product selectivity of CO photocatalysts.

Electrical transport in amorphous nanofilms embedded with crystalline grains at low temperatures.

Amorphous and ferromagnetic Al-Ni nanofilms have been grown by the magnetron-sputtering method with some nanosized crystalline grains embedded therein. Resistivity is demonstrated to transit from a positive temperature coefficient to a negative temperature coefficient (NTC) with increasing the fraction of Ni atoms in the Al-Ni nanofilms. The lattice disorder is deduced to induce the Anderson localization of electrons and the formation of polarons so that the NTC of the resistivity is driven in the Al-Ni nanofilms, different from that in the elemental Al and Ni nanofilms.

Effect of oral plaque control on postoperative pneumonia following lung cancer surgery.

Background: There have been few studies on the relationship between oral status and postoperative pneumonia (POP) in patients with lung cancer, and whether improving their oral condition assists with a lower incidence of POP before lung cancer surgery remains controversial. This retrospective study was conducted by a stomatologist to assess the effect of controlling oral pathogenic bacteria of patients with lung cancer to prevent POP.

Methods: A total of 235 patients with lung cancer who underwent lobectomy by open thoracotomy between July 2015 and December 2018 were selected and given the choice of being in the experimental or control group.

Probing the properties of size dependence and correlation for tantalum clusters: geometry, stability, vibrational spectra, magnetism, and electronic structure.

A comprehensive investigation on the equilibrium geometry, relative stability, vibrational spectra, and magnetic and electronic properties of neutral tantalum clusters (Ta , = 2-17) was performed using density functional theory (DFT). We perform a study of the size dependence and correlations among those descriptors of parameters, and showed these could provide a novel way to confirm and predict experimental results. Some new isomer configurations that have never been reported before for tantalum clusters were found.

Electrochemical Hydrogen Evolution at the Interface of Monolayer VS and Water from First-Principles Calculations.

Density functional theory calculations are carried out to study the hydrogen evolution reaction (HER) at the electrochemical double-layer interface of monolayer 2H phase VS and water. Under typical conditions of HER, the catalyst surface is predicted to have a low hydrogen coverage of about 12%, whereas the aqueous solution side features a high hydronium concentration of about 8.3%.

Doxorubicin-Loaded Dextran-Modified GoldMag Nanoparticles for Targeting Hepatocellular Carcinoma.

Doxorubicin (Dox) is one of the most widely used chemotherapeutic agents for many types of cancer, including hepatocellular carcinoma. However, clinical applications of Dox are limited due to its non-selective cytotoxicity that results in severe adverse effects. To tackle this problem targeted delivery of Dox exclusively to tumour milieu has become clinically prioritised.

Development of novel prediction model for drug-induced mitochondrial toxicity by using naïve Bayes classifier method.

Mitochondrial dysfunction has been considered as an important contributing factor in the etiology of drug-induced organ toxicity, and even plays an important role in the pathogenesis of some diseases. The objective of this investigation was to develop a novel prediction model of drug-induced mitochondrial toxicity by using a naïve Bayes classifier. For comparison, the recursive partitioning classifier prediction model was also constructed.

DNA binding, DNA cleavage and HSA interaction of several metal complexes containing N-(2-hydroxyethyl)-N'-benzoylthiourea and 1,10-phenanthroline ligands.

Four novel ternary metal complexes of the type [M(Phen)(L1)2)] [phen = 1,10-phenanthroline, L1 = N-(2-hydroxyethyl)-N'-benzoylthiourea, M = Ni(II)(1), Co(II) (2), Cu(II) (3), Pd(II) (4)] were synthesized. The organic ligands and their corresponding organometallic complexes have been characterized using UV-vis absorption spectroscopy, element analysis, infrared radiation spectroscopy and fluorescence spectra. DNA binding and cleavage studies of these complexes were conducted in detail.

Discrete Dipole Approximation Simulation of Nearly Touching Plasmonic Au Dimers and Influence of Particle Shape Assembly on Optical Response.

The method Discrete Dipole Approximation (DDA) is used to calculate the extinction spectra and field distribution of three types of dimers. In the paper we provide a systematic analysis of the optical response of different nanoscopic dimer structures with relatively small gap distances. A description is given about how the energy and excitation cross sections of dimer plasmons depend on nanoparticle separation.

UV-Induced Proton-Coupled Electron Transfer in Cyclic DNA Miniduplexes.

The excited-state dynamics of two cyclic DNA miniduplexes, each containing just two base pairs, are investigated using time-resolved infrared spectroscopy. As in longer DNA duplexes, intrastrand electron transfer induced by UV excitation triggers interstrand proton transfer in the alternating miniduplex containing two out-of-phase G·C base pairs. The resulting excited state decays on a time scale of several tens of picoseconds.

A polysaccharide isolated from Cynomorium songaricum Rupr. protects PC12 cells against H2O2-induced injury.

As a great deal of interest is developed to study novel bioactive components with health benefit effects from natural resources, in this paper, a rat pheochromocytoma line 12 (PC12) cell is built to observe the protective effect of a Cynomorium songaricum Rupr. polysaccharide (CSP) against H2O2-induced oxidative stress. Fluorescence microscope, flow cytometry and micro-plate reader are used to assess cell viability and apoptosis.

Prediction of drug-induced eosinophilia adverse effect by using SVM and naïve Bayesian approaches.

Drug-induced eosinophilia is a potentially life-threatening adverse effect; clinical manifestations, eosinophilia-myalgia syndrome, mainly include severe skin eruption, fever, hematologic abnormalities, and organ system dysfunction. Using experimental methods to evaluate drug-induced eosinophilia is very complicated, time-consuming, and costly in the early stage of drug development. Thus, in this investigation, we established computational prediction models of drug-induced eosinophilia using SVM and naïve Bayesian approaches.