Edge-Dependent Step-Flow Growth Mechanism in β-GaO (100) Facet at the Atomic Level.

Homoepitaxial step-flow growth of high-quality β-GaO thin films is essential for the advancement of high-performance GaO-based devices. In this work, the step-flow growth mechanism of the β-GaO (100) facet is explored by machine-learning molecular dynamics simulations and density functional theory calculations. Our results reveal that Ga adatoms and Ga-O adatom pairs, with their high mobility, are the primary atomic species responsible for efficient surface migration on the (100) facet.

Effect of Ar on Temperature and Flow Distribution in Monocrystalline Graphene Growth: Inert Gas Is Active.

Monocrystalline graphene growth has always been an intriguing research focus. Argon (Ar) is merely viewed as a carrier gas due to its inert chemical properties throughout the whole growth procedure by the chemical vapor deposition method. In this work, the influence of Ar on temperature and flow fields was investigated in consideration of its physical parameter difference among all involved gases.

SULF1 regulates malignant progression of colorectal cancer by modulating ARSH via FAK/PI3K/AKT/mTOR signaling.

Background: Colorectal cancer (CRC) has the third highest incidence and second mortality rate of malignant tumors globally, highlighting the urgency to explore the mechanisms underlying CRC progression for refined treatment of this patient population.

Methods: R Studio was used for data sorting and analysis. Cell apoptosis and cell cycle detection were performed by flow cytometry.

Chemokine‑ and chemokine receptor-based subtypes predict prognosis, immunotherapy and chemotherapy response in colorectal cancer patients.

Background: The clinical significance and comprehensive characteristics of chemokines and chemokine receptors in colorectal cancer (CRC) have not been previously reported. Our study aims to investigate the expression profiles of chemokines and chemokine receptors, as well as establish subtypes in CRC.

Methods: 1009 CRC samples were enrolled in our study.

Chemokine- and chemokine receptor-based signature predicts immunotherapy response in female colorectal adenocarcinoma patients.

The clinical significance and comprehensive characteristics of chemokines and chemokine receptors in female patients with advanced colorectal adenocarcinoma have not ever been reported. Our study explored the expression profiles of chemokines and chemokine receptors and constructed a chemokine- and chemokine receptor-based signature in female patients with advanced colorectal adenocarcinoma. Four independent cohorts containing 1335 patients were enrolled in our study.

Fat mass and obesity-associated protein regulates arecoline-exposed oral cancer immune response through programmed cell death-ligand 1.

The high prevalence of oral squamous cell carcinoma (OSCC) in South Asia is associated with habitual areca nut chewing. Arecoline, a primary active carcinogen within areca nut extract, is known to promote OSCC pathological development. Dysregulation of N6-methyladenosine (m6A) modification has begun to emerge as a significant contributor to cancer development and progression.

Fat mass and obesity-associated protein regulates tumorigenesis of arecoline-promoted human oral carcinoma.

Arecoline, a major alkaloid within areca nut extract, is recognized as the primary active carcinogen promoting oral squamous cell carcinoma (OSCC) pathological development. Dysregulation of N6-methyladenosine (m6A) methyltransferase components (e.g.

Oxidative-protective effect of nuclear receptor coactivator 7 on arecoline-induced endothelial-to-mesenchymal transition.

Objective: Overproduction of reactive oxygen species (ROS) has been implicated in inflammatory activities and tumorigenesis in oral submucous fibrosis (OSF). Nuclear receptor coactivator 7 (NCOA7) is capable of regulating cellular responses to ROS. The aim of this study was to investigate the expression of NCOA7 in endothelial cells and the role of NCOA7 in areca nut-induced endothelial-to-mesenchymal transition (EndMT).

A Strategy To Prepare High-Quality Monocrystalline Graphene: Inducing Graphene Growth with Seeding Chemical Vapor Deposition and Its Mechanism.

High-quality monocrystalline graphene has gained considerable attention in fundamental physics, materials science, and nanoelectronics. However, the performance of the graphene obtained by chemical synthesis methods is currently significantly restricted by the crystal quality. Herein, a seeding chemical vapor deposition (SCVD) method is designed to cultivate high-quality monocrystalline graphene on a Cu(111) substrate with hexagonal boron nitride (h-BN) as the seed crystal.

Graphene Nucleation Preference at CuO Defects Rather Than CuO on Cu(111): A Combination of DFT Calculation and Experiment.

It is well-known that reducing the nucleation density is an effective way to enhance the growth quality of graphene. In this work, we explore the mechanism of graphene nucleation and growth around CuO defects on a Cu(111) substrate by using density functional theory combined with the nudged elastic band method. The defect formation mechanism at the initial nucleation stage is also studied.

The Study of Low Calcium Dialysate on Elderly Hemodialysis Patients with Secondary Hypoparathyroidism.

Objective: The study aimed to study the safety and efficacy of 1.25 mmol/l calcium dialysate on maintenance hemodialysis (MHD) in elderly patients who suffered from secondary hypoparathyroidism.

Methods: Eighty-two elderly patients (ages ≥65) who had been in MHD with dialysate calcium at 1.

The roles of surface structure, oxygen defects, and hydration in the adsorption of CO(2) on low-index ZnGa(2)O(4) surfaces: a first-principles investigation.

The effects of the surface atomic and electronic structures, oxygen defects, and hydration on CO2 adsorption on ZnGa2O4(100), (110), and (111) surfaces were studied using density functional theory (DFT) slab calculations. For the perfect (100) surface, the most stable adsorption state involved the Zn-O-Ga bridge site, with an adsorption energy of 0.16 eV.

Theoretical insight into the structural stability of KZnB3O6 polymorphs with different BO(x) polyhedral networks.

In general, the presence of shared edges of polyhedra for high-valence low-coordinated small cations is rarely seen except under extreme conditions such as high pressure. However, the ambient-pressure synthesis of KZnB(3)O(6) built of edge-sharing BO(4) tetrahedra is contrary to this. By investigating the molecular dynamics, lattice dynamics, and electronic properties via density functional theory, we studied the origin of the phase stability of the edge-sharing (es) and "corner-sharing (cs)" KZnB(3)O(6).

Synergistic effects in La/N codoped TiO2 anatase (101) surface correlated with enhanced visible-light photocatalytic activity.

The interaction between implanted La, substitutional N, and an oxygen vacancy at TiO(2) anatase (101) surface has been investigated by means of first-principles density function theory calculations to investigate the origin of enhanced visible-light photocatalytic activity of La/N-codoped anatase observed in experiments. Our calculations suggest that both the adsorptive and substitutional La-doped TiO(2) anatase (101) surfaces are probably defective configurations in experiments. The h-Cave-adsorbed La doping decreases the formation energy for the substitutional N implantation and vice versa, while the charge compensation effects do not take effect between the adsorptive La and substitutional N dopants, resulting in some partially occupied states in the band gap acting as traps of the photoexcited electrons.

Electronic, optical and lattice dynamic properties of the novel diamond-like semiconductors Li2CdGeS4 and Li2CdSnS4.

Li(2)CdGeS(4) and Li(2)CdSnS(4) are novel quaternary diamond-like semiconductors (DLSs) which have been synthesized recently. We present first-principles calculations of their electronic, optical and lattice dynamic properties with the plane-wave pseudopotential method. We have found an indirect band gap of 2.

Origin of improved visible photocatalytic activity of nitrogen/hydrogen codoped cubic In2O3: first-principles calculations.

We have employed DFT calculations to carry out an accurate analysis of the effect of N- and NH-doping on the visible photocatalytic activity in the cubic In(2)O(3). In the substitutional N-doped In(2)O(3), the 2p impurity states of N induce a red shift in the optical absorption, while in the interstitial N-doping the red shift is dominantly caused by the localized π antibonding states of NO. When a H atom is accompanied by a N impurity in the lattice, the H atom acts as a charge donor and compensates the hole state created by N-doping, thus the energy level of the impurity states is reduced.

First-principles study of the electronic, optical properties and lattice dynamics of tantalum oxynitride.

First-principles calculations of the electronic, optical properties and lattice dynamics of tantalum oxynitride are performed with the density functional theory plane-wave pseudopotential method. The analysis of the electronic structure shows a covalent nature in Ta-N bonds and Ta-O bonds. The hybridization of anion 2p and Ta 5d states results in enhanced dispersion of the valence band, raising the top of the valence band and leading to the visible-light response in TaON.

Optical properties of the high-pressure phases of SnO(2): first-principles calculation.

We present a detailed investigation on the optical properties, including dielectric function, reflectivity, absorption, refractive index, and electron energy-loss spectrum, of the high-pressure phase SnO(2) in the rutile, pyrite, fluorite, and cotunnite structures by using the density functional theory (DFT) plane-wave pseudopotential method. The results indicate that with the increasing of pressure the band gaps become larger, the density of states are broader, so the curves of optical properties have a little blue shift. Except that the fluorite phase has some metallic properties, the other three phases exhibit excellent dielectric behavior.

[Clinical analysis of six cases with juvenile primary fibromyalgia syndrome].

Objective: To study the clinical features of juvenile primary fibromyalgia syndrome (FMS) and to evaluate outcome after treatment.

Methods: Six patients with juvenile primary FMS were registered in department of rheumatology and their clinical data were assessed, including degree of pain (visual analog scale, VAS), fatigue, depression, anxiety, sleep disturbances, arthrodynia, subjective joint swelling, abdominal pain, irritable bowel symptoms, urinary urgency, dysmenorrhea, morning stiffness, paresthesias, illness changes with weather, feeling worse with exercise, laboratory examination and outcome of treatment.

Results: Abdominal pain was the first symptom in 5 of the cases with juvenile primary FMS, diffuse aching and left knee pain were the first symptoms in one patient.

Pulsed laser output of LD-end-pumped 1.34 mum Nd: GdVO4 laser with Co: LaMgAl11O19 crystal as saturable absorber.

The absorption spectra of the 0.5at.% and 1at.