Inducing a Synergistic Effect on Pt/Electron-Rich Sites via a Platinization Strategy: Generating Hyper-High Current Density in Hydrogen Evolution Reaction.

Herein, we propose a platinization strategy for the preparation of Pt/X catalysts with low Pt content on substrates possessing electron-rich sites (Pt/X: X = CoO, NiO, CeO, Covalent Organic Framework (COF), etc.). In examples with inorganic and organic substrates, respectively, Pt/CoO possesses remarkable catalytic ability toward HER, achieving a current density at an overpotential of 500 mV that is 3.

Theoretical Prediction and Experimental Synthesis of ZrAC (A = Cd, Sb) Phases.

MAX phases have great research value and application prospects, but it is challenging to synthesize the MAX phases containing Cd and Sb for the time being. In this paper, we confirmed the existence of the 312 MAX phases of ZrCdC and ZrSbC, both from theoretical calculations and experimental synthesis. The ZrAC (A = Cd, Sb) phase was predicted by the first-principles calculations, and the two MAX phases were confirmed to meet the requests of thermal, thermodynamic, and mechanical stabilities using formation energy, phonon dispersion, and the Born-Huang criteria.

Built-in Electric Field Promotes Interfacial Adsorption and Activation of CO for C Products over a Wide Potential Window.

The unsatisfactory adsorption and activation of CO suppress electrochemical reduction over a wide potential window. Herein, the built-in electric field (BIEF) at the CeO/InO n-n heterostructure realizes the C (CO and HCOO) selectivity over 90.0% in a broad range of potentials from -0.

Metal-Driven Autoantifriction Function of Artificial Hip Joint.

The service life of an artificial hip joint is limited to 10-15 years, which is not ideal for young patients. To extend the lifespan of these prostheses, the coefficient of friction and wear resistance of metallic femoral heads must be improved. In this study, a Cu-doped titanium nitride (TiN -Cu) film with "autoantifriction" properties is deposited on a CoCrMo alloy via magnetron sputtering.

Enhanced lithium polysulfide adsorption on an iron-oxide-modified separator for Li-S batteries.

Lithium-sulfur (Li-S) batteries are candidates for next-generation energy storage systems because of their low cost, high theoretical specific capacity and safety. However, the serious lithium polysulfide (LiPS) shuttle effect leads to a loss of reactive active substances and reduction of coulombic efficiency. In the current work, iron oxide (IO-700)-prepared by calcining a mixture of carbon spheres and ferric nitrate under an air atmosphere at 700 °C-was designed as a separator modifier to effectively adsorb LiPSs and accelerate the kinetics of the transformation of the intermediates, thereby inhibiting the shuttle effect.

Potential of metagenomic next-generation sequencing in detecting infections of ICU patients.

Background: Due to the limitations of traditional microbiological detection techniques in evaluating complicated infections in ICU patients, it is necessary to explore novel and effective methods to improve the clinical detection of ICU patients' infections.

Objective: This study aimed to evaluate the efficiency and specificity of mNGS in screening pathogens in the blood, deep phlegm, urine, and other sample types of ICU patients exploring an effective method for infection detection.

Methods: A total of 56 ICU patients with 131 samples were included in this study.

The effects of prey lipid on female mating and reproduction of a wolf spider.

As predators, the macronutrients spiders extract from their prey play important roles in their mating and reproduction. Previous studies of macronutrients on spider mating and reproduction focus on protein, the potential impact of prey lipid content on spider mating and reproduction remains largely unexplored. Here, we tested the influence of prey varying in lipid content on female mating, sexual cannibalism, reproduction, and offspring fitness in the wolf spider .

[Study of hospitalization risk indicators for intensive care unit patients evaluated by intelligent calculation method].

Objective: To explore the characteristics of the changes in risk score for intensive care unit (ICU) patients during hospitalization by the intelligent calculation method, and to provide evidence for the risk prevention.

Methods: In this retrospective study, ICU patients of the Fifth Central Hospital in Tianjin from November 3, 2021 to March 28, 2022 were enrolled and divided into ≥ 14 days group, 10-13 days group, 7-9 days group, and 3-6 days group according to the ICU length of stay. Risk scores assessed by the intelligent calculation method of the ICU patients were collected, including nutritional risk screening 2002 (NRS 2002), Caprini score and Padua score.

Ultra-Fast Thermal Shock Evaluation of TiAlC Ceramic.

In this work, the rapid thermal shock behavior of TiAlC ceramics was studied using induction heating. The present evaluation method possesses the merits of very rapid heating within tens of seconds and fast quenching in water of less than 0.1 s, removing the shortcomings of traditional thermal shock.

Quasi-solid-state Zn-air batteries with an atomically dispersed cobalt electrocatalyst and organohydrogel electrolyte.

Quasi-solid-state Zn-air batteries are usually limited to relatively low-rate ability (<10 mA cm), which is caused in part by sluggish oxygen electrocatalysis and unstable electrochemical interfaces. Here we present a high-rate and robust quasi-solid-state Zn-air battery enabled by atomically dispersed cobalt sites anchored on wrinkled nitrogen doped graphene as the air cathode and a polyacrylamide organohydrogel electrolyte with its hydrogen-bond network modified by the addition of dimethyl sulfoxide. This design enables a cycling current density of 100 mA cm over 50 h at 25 °C.

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.

This article summarizes technical advances contained in the fifth major release of the Q-Chem quantum chemistry program package, covering developments since 2015. A comprehensive library of exchange-correlation functionals, along with a suite of correlated many-body methods, continues to be a hallmark of the Q-Chem software. The many-body methods include novel variants of both coupled-cluster and configuration-interaction approaches along with methods based on the algebraic diagrammatic construction and variational reduced density-matrix methods.

Accelerating charge transfer to enhance H evolution of defect-rich CoFeO by constructing a Schottky junction.

We demonstrate a charge transfer boosted hydrogen (H2) evolution of transition metal oxides via a Schottky junction. The FeNi and metallic defect-rich CoFe2O4 (DCF) as well as semiconducting nitrogen-doped carbon (NC), named as FeNi/DCF/NC, possessed only 6.5% charge transfer resistance of DCF.

[Change and significance of coagulation function and von Willebrand factor antigen level in HELLP syndrome].

Objective: To investigate the changes and clinical significance of blood coagulation function and von Willebrand factor antigen (vWF:Ag) in patients with HELLP syndrome (hemolysis, elevated liver function, low platelet count).

Methods: The clotting data of patients with severe preeclampsia and HELLP syndrome (observation group) admitted to the department of critical care medicine of the Fifth Center Hospital in Tianjin from May 2015 to December 2019 were retrospectively analyzed, and normal late pregnancy women with the same period were enrolled as the control group. The coagulation indexes such as prothrombin time (PT), activated partial thrombin time (APTT), antithrombin (AT), fibrinogen (Fib), D-dimer and plasma vWF:Ag level were compared between the two groups, and among patients with HELLP syndrome with different disease degree.

[Effect of different fluid resuscitation strategies on renal function in patients with septic shock induced acute kidney injury].

Objective: To compare the therapeutic effect of fluid resuscitation strategy guided by pulse-indicated continuous cardiac output (PiCCO) monitoring and early goal-directed therapy (EGDT) on renal function of acute kidney injury (AKI) patients caused by septic shock.

Methods: Septic shock patients with AKI admitted to the intensive care unit (ICU) of Tianjin Fifth Central Hospital and Teda International Cardiovascular Hospital from March 2017 to February 2020 were enrolled. All patients were given fluid resuscitation.

First principles investigation of electron correlation and Lifshitz transition within iron polynitrides.

Metal poly-nitrogen compounds are gaining great interests as potential high energy density materials. Several iron polynitrides have been recently synthesized and investigated under high pressure (20182756). In this work the electron correlations within these iron poly-nitrogen compounds were self-consistently determined, benchmarked with those obtained from linear response approach.

Electron correlation effect versus spin-orbit coupling for tungsten and impurities.

The electron correlation and spin-orbit coupling (SOC) effects are investigated for body-centered-cubic tungsten and intrinsic & irradiative impurities using first principles calculations based upon the density functional theory. It is found that the electron correlation between the localized 5electrons and the SOC effect are significant in modifying the band structures and the formation energies of defects. For the latter one, the involving of electron correlation always makes the defects stabler than the Perdew-Burke-Ernzerhof results, while the SOC contributes diversely for different defects.

Electronic, magnetic and optical properties of transition-metal and hydroxides doped monolayer g-CN: a first principles investigation.

The graphitic carbon nitride (g-CN) is a promising layered two-dimension material with an opened bandgap. It is of interest to explore the tunability of the bandgap together with the magnetism by doping transition metal atoms. In this work, we investigated the transition metals (Mn, Fe, Co, Ni) and their hydroxides doped g-CNmonolayers.

[Comparison of pulmonary circulation hemodynamics and respiratory mechanics induced by drowning with equal volume of freshwater and seawater in sheep: a randomized controlled study].

Objective: To compare the effects of freshwater and seawater drowning on sheep's pulmonary circulation hemodynamics and respiratory mechanics.

Methods: According to the random number table method, healthy crossbred sheep were divided into freshwater drowning group (n = 12) and seawater drowning group (n = 12). 30 mL/kg of freshwater or seawater was infused respectively through trachea for approximately 5 minutes.

Structural engineering of bilayer PtSe thin films: a first-principles study.

PtSe is an emerging layered two-dimensional material of applied interest. Its monolayer shows promising properties for applications in electronic devices, while the bandgap of a multilayer PtSe film can be tuned via changing its thickness. In this work the bilayer PtSe thin films are investigated as an example of structural engineering with first-principles calculations.

Tunable electronic properties of monolayer MnPSe/MoTe heterostructure: a first principles study.

The construction of van der Waals heterostructures is deemed to be a novel scheme to circumvent the shortcomings of their components and bear potentials for applications in electronic devices. Here we systematically investigate the structural and electronic properties of a monolayer MnPSe/MoTe heterostructure with the first principles calculations. The heterostructure stablizes in the antiferromagnetic state and possesses a typical type-II band alignment, with which the photoexcited electrons and holes can be effectively separated and their fast recombination can hence be suppressed.

Charge Engineering of MoC@Defect-Rich N-Doped Carbon Nanosheets for Efficient Electrocatalytic H Evolution.

Charge engineering of carbon materials with many defects shows great potential in electrocatalysis, and molybdenum carbide (MoC) is one of the noble-metal-free electrocatalysts with the most potential. Herein, we study the MoC on pyridinic nitrogen-doped defective carbon sheets (MoNCs) as catalysts for the hydrogen evolution reaction. Theoretical calculations imply that the introduction of MoC produces a graphene wave structure, which in some senses behaves like N doping to form localized charges.

The functionality of surface hydroxyls on selective CH generation from photoreduction of CO over SiC nanosheets.

The surface hydroxyls on SiC nanosheets provide local protons, stabilize intermediates and localize photogenerated electrons in the deep photoreduction of CO2, significantly promoting the efficiency and selectivity of CH4 yield. This study describes the surface reaction for selective CO2 reduction based on both thermodynamic and kinetic requirements.

Edge Defect Engineering of Nitrogen-Doped Carbon for Oxygen Electrocatalysts in Zn-Air Batteries.

Metal-free bifunctional oxygen electrocatalysts are extremely critical to the advanced energy conversion devices, such as high energy metal-air batteries. Effective tuning of edge defects and electronic density on carbon materials via simple methods is especially attractive. In this work, a facile alkali activation method has been proposed to prepare carbon with large specific surface area and optimized porosity.