Risk control and assessment of sulfide-rich sediment remediation by controlled-release calcium nitrate.

Nitrate stimulation is widely used in sediment remediation to eliminate sulfides, degrade organic pollutants and immobilize phosphorus. However, the environmental risks of nitrate escape and the subsequent release of pollutants (e.g.

Direct arterial puncture for hemodialysis, a neglected but simple and valuable vascular access.

Introduction: The purpose of this study is to present the prevalence and effects of direct arterial puncture (DAP) for hemodialysis patients, and to introduce optimal option for the vascular access (VA) in certain hemodialysis patients with poor condition of vascular or cardiac function in a compelling situation.

Methods: This was a cross-sectional study. Demographic characteristics and laboratory data were extracted from the health care system.

Doping effects on the antibonding states and carriers of two-dimensional PC.

The absence of a bandgap in pristine graphene severely restricts its application, and there is high demand for other novel two-dimensional (2D) materials. PC has recently emerged as a promising 2D material with a direct band gap and ultrahigh carrier mobility. In light of the remarkable properties of an intrinsic PC monolayer, it would be intriguing to find out whether a doped PC monolayer displays properties superior to the pure system.

Structural, electronic, and mechanical properties of YRuInGe: a first-principle study.

This study reports a theoretical examination of the structural, electronic, and mechanical properties of the tetragonal structure of YRuInGe by using the generalized gradient approximation of the density functional theory and the plane wave ab initio pseudopotential method. We have mainly studied the electronic properties of the compound. The calculated results of the band structure show that the addition of rare earth elements has a greater effect on Fermi levels.

First-principles study of the structural phase transition process of solid nitrogen under pressure.

Due to the diversity of solid nitrogen structure, its phase transition has been a hot topic for many scientists. Herein, we first studied the structural softening of rhombohedral solid nitrogen under pressure using first-principles calculations. Then, a new criterion, Egret criterion, was proposed to predict the whole process from beginning to end of structural phase transition of solid nitrogen.

HMX/NMP cocrystal explosive: first-principles calculations.

The band structure, total density of states, and atomic orbit projected density of states analysis were performed to investigate HMX/NMP cocrystal by using the first-principles calculations. Results show that the HMX/NMP cocrystal is equipped with a direct band gap and the interactions between HMX and NMP molecules are rather weak. The O orbits hybridize with H orbits, and the parts of charge transform from H to O atoms by analyzing the DOS.

Impact of pulmonary hypertension on arteriovenous fistula failure of hemodialysis patients: A 10 years follow-up cohort study.

Background: Pulmonary hypertension (PH) is common in patients with end-stage renal disease (ESRD). Arteriovenous fistulas (AVF) creation may involve in the pathogenesis of PH. The aim of this study was to explore the impact of PH after AVF creation on the AVF failure rate in maintenance hemodialysis (MHD) patients.

Explanation for the conductivity difference of half-Heusler transparent conductors ionization energy.

To further understand the less-studied half-Heusler transparent conductors, we have considered four 18-electron ABX compounds (TaIrGe, TaIrSn, ZrIrSb, and TiIrSb) to focus on their carrier effective masses and ionization energies. The novelty of this work lies in two aspects: (i) we discover that hole-killer defects are more likely to form in TaIrGe than in ZrIrSb, which leads to a lower concentration of the holes in TaIrGe. This is the fundamental reason for the conductivity of TaIrGe being much lower than that of ZrIrSb; (ii) we propose that the hole effective mass near the sub-valence band maximum (Sub-VBM) could be used to forecast the potential transport performance of the materials.

First-principles calculations of effects of pressure on paramagnetic, ferromagnetic, and antiferromagnetic spin-web CuTeO.

The structure, electronic, and magnetic properties have been investigated by the first-principles calculations for paramagnetic, ferromagnetic, and antiferromagnetic CuTeO under pressure from 0 to 100 GPa. The calculated lattice parameters at 0 GPa are in excellent agreement with the available calculated and experimental values. With increasing pressure, the lattice parameters and volume decrease, but CuTeO keeps a stable cubic structure.

Hemodialysis nurse burnout in 31 provinces in mainland China: A cross-sectional survey.

Introduction: Job burnout is an occupational psychological syndrome with a high prevalence among nurses in China. Hemodialysis (HD) nursing work has the characteristics of high intensity, high technical content, and high risk. The aims of this study were to investigate the prevalence and level of job burnout among HD nurses in China and explore the potential factors associated with burnout among HD nurses.

How to carry out monthly blood flow surveillance of fistula in large-scale hemodialysis units: A cross-sectional study.

Background: The important effect of regular blood flow surveillance on arteriovenous fistula maintenance is emphasized. The ultrasonic dilution technique for blood flow surveillance can be performed during hemodialysis, but there are some limitations. Blood flow is traditionally measured by duplex Doppler ultrasound during the nondialysis period.

The Raman and IR vibration modes of metal pentazolate hydrates [Na(HO)(N)]·2HO and [Mg(HO)(N)]·4HO.

The detailed illustrations of the structures, elastic properties, and Raman and IR vibration modes for [Na(HO)(N)]·2HO (a) and [Mg(HO)(N)]·4HO (b) have been presented in this investigation by using the first-principles method based on the density functional theory. Our results indicate that the active centers of both two types of the energetic metal pentazolate hydrates appear on the cyclo-N. The bonding character of N atoms in the cyclo-N is shown to be covalent, and the cyclo-N ring can be considered as an anion.

A systematic study of the surface structures and energetics of CHNO surfaces by first-principles calculations.

Density functional theory (DFT) has been employed within the generalized gradient approximation and Perdew-Burke-Ernzerhof functional (GGA-PBE) to study the structural and electronic properties of nitromethane (NM) surface models. Different surfaces, including (100), (001), (101), (110), and (111), are considered in this work. The corresponding properties of bulk crystal for NM were also calculated to form a contrast to the slab models.

Effects of different dopant elements on structures, electronic properties, and sensitivity characteristics of nitromethane.

In this study, the doped defects in nitromethane crystals were investigated using first-principles calculations for the first time. We introduce dopant atoms in the interstitial sites of the nitromethane lattice, aiming to study the effects of element-doping on the structural properties, electronic properties, and sensitivity characteristics. The obtained results show that doped defects obviously affect the neighboring nitromethane molecules.