Magnetic properties of CrMnGe (n = 3-20) clusters.

Due to the potential applications in next-generation micro/nano electronic devices and functional materials, magnetic germanium (Ge)-based clusters are receiving increasing attention. In this work, we reported the structures, electronic and magnetic properties of CrMnGe with sizes n = 3-20. Transition metals (TMs) of Cr and Mn tend to stay together and be surrounded by Ge atoms.

First-principles study of the mechanical and thermodynamic properties of aluminium-doped magnesium alloys.

Magnesium-aluminum (Mg-Al) alloys are widely used in aerospace, automobile and medical equipment owing to their advantages of easy casting, high strength-to-mass ratio and good biocompatibility. The structural, mechanical, electronic and thermodynamic properties of MgAl alloys ( + = 16, = 1, 2,…, 15) with varying Al-doping contents were studied using the first-principles method. In this work, the structures of MgAl alloys were constructed by replacing Mg atoms in a supercell with Al atoms.

Antiferromagnetic Chromium-Doped Tin Clusters.

The trend toward further miniaturization of micronano antiferromagnetic (AFM) spintronic devices has led to a strong demand for low-dimensional materials. The assembly of AFM clusters to produce such materials is a potential pathway that promotes studies on such clusters. In this work, we report on the discovery of the AFM CrSn ( = 3-20) clusters with a stepwise growth at the density functional theory (DFT) level.

Viologen-based ionic conjugated mesoporous polymer as the electron conveyer for efficient polysulfide trapping and conversion.

The commercialization of lithium-sulfur (Li-S) batteries has been hindered by the shuttle effect and sluggish redox kinetics of lithium polysulfides (LiPSs). Herein, we reported a viologen-based ionic conjugated mesoporous polymer (TpV-Cl), which acts as the cathode host for modifying Li-S batteries. The viologen component serves as a reversible electron conveyer, leading to a comprehensive enhancement in the adsorption of polysulfides and improved conversion rate of polysulfides during the electrochemical process.

Determination of Ground State Structures of Sn (x=21-35) Clusters.

In this work, an unbiased global search with a homemade genetic algorithm was performed to investigate the structural evolution and electronic properties of Sn (x=21-35) clusters with density functional theory (DFT) calculations. All the ground-state structures for all these Sn (x=21-35) clusters have been confirmed by the comparison of the experimental and simulated photoelectron spectra (PESs). It has been revealed that all Sn (x=21-35) clusters are tricapped trigonal prism (TTP)-based structures consisting of two (for sizes x=21-28) or three (for x=29-35) TTP units, with the remaining atoms adsorbed on the surface or inserted between TTP units.

Pilot study on ceramic flat membrane bioreactor in treatment of coal chemical wastewater.

Some toxic and refractory pollutants in coal chemical wastewater can penetrate the biochemical treatment systems and cause high concentrations of suspended solids in the effluent, which may obstruct the subsequent advanced treatment. In this project, a submerged ceramic plate membrane system was integrated to the last oxic corridor of an existing multistage anoxic/oxic tank. In the ceramic flat membrane bioreactor, the influent chemical oxygen demand (COD) was 102.

Discovery of a series of silicon-based ferrimagnets in CrMnSi (n = 4-20) clusters.

Herein, the structural evolution, electronic and magnetic properties of silicon clusters with two different dopants, CrMnSi (n = 4-20) clusters were investigated at density functional theory (DFT) level. Small-sized CrMnSi (n = 4-9) clusters tend to adopt bipyramid-based geometries, while clusters with sizes n = 10 and 11 prefer to opening cage-like structures. For sizes n = 12 to 14, the half-encapsulated structures gradually transform into closed-cage Cr@Si structures, with the Mn atom exposed outside.

Molecular-Scale Investigation on the Formation of Brown Carbon Aerosol via Iron-Phenolic Compound Reactions in the Dark.

Brown carbon (BrC) is one of the most mysterious aerosol components responsible for global warming and air pollution. Iron (Fe)-induced catalytic oxidation of ubiquitous phenolic compounds has been considered as a potential pathway for BrC formation in the dark. However, the reaction mechanism and product composition are still poorly understood.

Exploration of the health needs of patients with poorly controlled type 2 diabetes using a user-centred co-production approach in the area of mHealth: an exploratory sequential mixed-method protocol.

Introduction: Research on the needs and preferences of patients with poorly controlled type 2 diabetes mellitus (T2DM) with mobile health (mHealth) service is limited. With the principles of co-production, this study aims to address this research gap by exploring the health needs of Chinese patients with poorly controlled T2DM.

Methods And Analysis: This study uses a three-phase, exploratory sequential mixed-method design.

The mediating effect of self-directed learning in the relationship between caring and resilience among Chinese nursing students: A multi-center cross-sectional study.

Background: Despite the proliferation of literature focusing on resilience, a paucity of research has attempted a thorough and accurate examination of factors that contribute to resilience among nursing students.

Objectives: To examine the mediating effect of self-directed learning in the relationship between caring and resilience in Chinese nursing students.

Design: A cross-sectional design.

Unexpected Persistent Production of Reactive Oxygen Species during the Degradation of Black Phosphorous in the Darkness.

Few-layer black phosphorus (FLBP) is easily degraded under ambient conditions which is problem that hinders the application of FLBP, but its degradation mechanism is not yet well understood. In this work, we surprisingly found that persistent generation of reactive oxygen species (ROS) was involved in FLBP degradation even in the dark. The ROS generation patterns and mechanism were revealed by chemiluminescence (CL) and density functional theory (DFT).

Dynamic control of pentachlorophenol photodegradation process using P25/PDA/BiOBr through regulation of photo-induced active substances and chemiluminescence.

Photodegradation is a new approach for the removal of pentachlorophenol (PCP). Photooxidation degradation (using hydroxyl radicals) exhibits better performance to remove PCP than photoreduction degradation, but the former will lead to an increase in the production of toxic by-products such as tetrachloro-1,4-benzoquinone (TCBQ). Thus, a new strategy is required to enhance PCP photodegradation and simultaneously inhibit toxic intermediates production.

Unexpected molecular diversity of brown carbon formed by Maillard-like reactions in aqueous aerosols.

Atmospheric brown carbon (BrC) exerts a key impact on the global radiative balance due to its light-absorbing properties. Maillard-like reactions between carbonyl and amino compounds have been identified as an important pathway for forming secondary BrC. Although optical properties have been widely studied, the molecular composition of secondary BrC generated in Maillard chemistry remains unclear, resulting in a knowledge gap to understand its formation and light-absorbing mechanism.

Efficient photodegradation of PFOA using spherical BiOBr modified TiO via hole-remained oxidation mechanism.

Photo-induced holes (h) oxidation is an efficient approach for perfluorooctanoic acid (PFOA; CFCOOH) removal. To maintain a high amount of h on the surface of photocatalysts participating in the PFOA photodegradation could be a critical issue. Herein, a highly efficient spherical BiOBr-modified nano-TiO (P25) was synthesised and used for PFOA photodegradation through direct oxidation with h.

Humanistic caring ability of midwifery students in China and its associated factors: A multi-centre cross-sectional study.

Background: Research regarding humanistic caring has proliferated to enable person-centred and holistic care. Empirical evidence investigating the humanistic caring ability is largely derived from studies recruiting general nursing students. Midwifery students, however, remain underrepresented.

Effectiveness of smartphone application-based self-management interventions in patients with type 2 diabetes: A systematic review and meta-analysis of randomized controlled trials.

Aims: To synthesize evidences on smartphone application-based intervention and determine its effectiveness on glycaemic control, self-management behaviours, psychological well-being, quality of life and cardiometabolic risk factors.

Design: A systematic review and meta-analysis of randomized controlled trials (RCTs).

Data Sources: Major English and Chinese electronic databases were searched from January 2008 to January 2021, including PubMed, Web of Science, Embase, Cochrane Central Register of Controlled Trials, Google Scholar, China National Knowledge Infrastructure (CNKI), Wanfang and Sinomed.

Algal blooms modulate organic matter remineralization in freshwater sediments: A new insight on priming effect.

This study provides a novel insight into the degradation of sediment organic matter (SOM) regulated by algae-derived organic matter (AOM) based on priming effect. We tracked the dynamics of SOM mineralization products and pathways, together with priming effects (PE) using the compound-specific stable isotope (δC) technique following addition of low- and high-density algal debris in sediments. We found that algal debris increased the total carbon oxidation rate, and resulted in denitrification and methanogenesis-dominated SOM mineralization.

Abundant sediment organic matter potentially facilitates chemical iron reduction and surface water blackness in a Chinese deep lake.

Black bloom has become an increasingly severe environmental and ecological problem in lots of lakes. Ferrous monosulfide (FeS), which is closely related to chemical iron reduction (CIR), is considered the major cause for black water in shallow lakes, but few studies focus on the effect of organic matters (OM) content on iron and sulfate reduction and its contribution to the black bloom in deep lakes. Here, in Lake Fuxian, a Chinese deep lake which has also suffered from black bloom, FeS was identified responsible for the surface water blackness by using multiple microscopy and element analyses.

Rapid evaluation of oxygen vacancies-enhanced photogeneration of the superoxide radical in nano-TiO suspensions.

Reactive oxygen species (ROS) play an important role in the photocatalytic degradation of pollutants and are closely related to the surface defects of a semiconductor. However, the characterization of surface defects is very complex and a deeper understanding of them remains a great challenge. In this work, a series of nano-TiO was synthesized and their optical properties due to surface defects were studied.

Dynamic monitoring and regulation of pentachlorophenol photodegradation process by chemiluminescence and TiO/PDA.

Pentachlorophenol (PCP), a highly toxic halogenated aromatic compound, and its direct photolysis or TiO photocatalysis may generate toxic intermediates and induce secondary pollution in the environment. It is urgently needed to design a strategy to inhibit the toxic intermediates in the photodegradation of PCP. To achieve this, polydopamine (PDA), a non-toxic substance, modified TiO (P25/PDA) nanoparticles were synthesized and used to improve the PCP photodegradation process.

Rapid and Sensitive Analysis of Trace Leads in Medicinal Herbs Using Laser-Induced Breakdown Spectroscopy-Laser-Induced Fluorescence (LIBS-LIF).

Toxic metals in medicinal herbs are potentially harmful for people taking herbal medicines. In this work, laser-induced breakdown spectroscopy-laser-induced fluorescence (LIBS-LIF) spectroscopy was first applied to carry out rapid and sensitive trace lead analysis in medicinal herb samples. To overcome the problem of diversity on the sample size, shape, and density for different samples, original samples were pulverized to powder and then pressed into pellets for spectral analysis.

Betulin inhibited cigarette smoke-induced COPD in mice.

The purpose of the present study was to evaluate the protective effect of betulin (BE) on CS (cigarette smoke)-induced COPD in mice and explore its underlying mechanisms. 60 male ICR mice were randomly assigned to five groups: control group, model group, dexamethasone (2mg/kg) group, BE (20mg/kg) group and BE (40mg/kg) group. The COPD mice were induced by cigarette smoke exposure for 8 weeks.

Inhibition of IRF3 expression reduces TGF-β1-induced proliferation of hepatic stellate cells.

Therapeutic management of liver fibrosis remains an unresolved clinical problem. Activation of hepatic stellate cell (HSC) is a pivotal event in the progression of liver fibrosis. Recent reports have showed that inhibition of activated HSC proliferation contributes to the reversal of liver fibrosis.