Impacts of Vinyl Group on the Diffusion and Thermal Properties of Branched Silicon-Containing Arylacetylene Resins by Molecular Dynamics Simulations.

Branched-structure polyarylacetylene resins with low curing temperatures and excellent thermal stability are promising candidates for high-performance resin-matrix composites. In this work, the effects of different vinyl/acetylene group ratios on the thermal properties of star-shaped silicon-containing arylacetylene (SSA) resins and branched silicon-containing arylacetylene (BSA) resins were investigated by molecular dynamics simulations. The calculated interaction energies, diffusion behaviors, and glass transition temperatures () indicated that an increase in the vinyl/acetylene group ratio positively affected the rheological and thermal properties of the branched resins.

Thermal Decomposition of Core-Shell-Structured RDX@AlH, HMX@AlH, and CL-20@AlH Nanoparticles: Reactive Molecular Dynamics Simulations.

The reactive molecular dynamics method was employed to examine the thermal decomposition process of aluminized hydride (AlH) containing explosive nanoparticles with a core-shell structure under high temperature. The core was composed of the explosives RDX, HMX, and CL-20, while the shell was composed of AlH. It was demonstrated that the CL-20@AlH NPs decomposed at a faster rate than the other NPs, and elevated temperatures could accelerate the initial decomposition of the explosive molecules.

A hydrogen passivation strategy for the electrocatalytic chlorine evolution reaction on metal-organic frameworks: a theoretical insight.

The chlorine evolution reaction (CER) is a crucial solution for treating chlorine-containing wastewater, a type of wastewater generated during the chemical production process. Electrocatalysts applied are mainly dimensionally stable anodes (DSAs) such as precious metals and their oxides. In order to reduce the amounts of rare metals in the catalysts and to improve the catalytic performance, a hydrogen-passivated transition metal site strategy based on a metal-organic framework, TM(THT) (TM = Mn, Fe, Co, Ni, Tc, Ru, Rh, Pd, Re, Os, Ir, Pt), was proposed to force the CER to proceed at the sulfur (S) site.

Thermal curing mechanisms and cross-linking network structure of a novel silicon-containing arylacetylene resin with 2,7-diethynylnaphthalene unit.

Silicon-containing arylacetylene resin and its composites have attracted great interest as emerging heat-resistant materials, but their curing mechanisms and products are still elusive. In this work, the influences of the terminal and inner acetylenes on the curing mechanisms of silicon-containing arylacetylene resin with 2,7-diethynylnaphthalene were first identified by density functional theory. Two reaction pathways were proposed and their products include polyenes, anthracene dimers, and benzene trimers.

Effects of Nanoparticle Size on the Thermal Decomposition Mechanisms of 3,5-Diamino-6-hydroxy-2-oxide-4-nitropyrimidone through ReaxFF Large-Scale Molecular Dynamics Simulations.

ReaxFF-lg molecular dynamics method was employed to simulate the decomposition processes of IHEM-1 nanoparticles at high temperatures. The findings indicate that the initial decomposition paths of the nanoparticles with different sizes at varying temperatures are similar, where the bimolecular polymerization reaction occurred first. Particle size has little effect on the initial decomposition pathway, whereas there are differences in the numbers of the species during the decomposition and their evolution trends.

Integrated proteomic and metabolomic analysis of plasma reveals regulatory pathways and key elements in thyroid cancer.

Thyroid cancer (TC) is the most common endocrine malignancy with increasing incidence in recent years. Fine-needle aspiration biopsy (FNAB), as a gold standard for the initial evaluation of thyroid nodules, fails to cover all the cytopathologic conditions resulting in overdiagnosis. There is an urgent need for a better classification of thyroid cancer from benign thyroid nodules (BTNs).

Reactive molecular dynamics simulations on the decomposition process of 1,3,5-trinitro-1,3,5-triazine crystal under high temperatures and pressure.

Context: Reactive molecular dynamics simulations were performed to study the decomposition processes of 1,3,5-trinitro-1,3,5-triazine (RDX) crystal under high temperatures (2100, 2400, 2700, and 3000 K) and detonation pressure (34.5 GPa) and 0 GPa. It is found that the initial decomposition paths of RDX under different temperatures coupled with detonation pressure are similar, which is due to the N-NO bond breakage to release NO.

Loneliness in nursing homes: A qualitative meta-synthesis of older people's experiences.

Background: Older people in the nursing home environment are much less mobile and capable of taking care of themselves as they age, and most of them face the plight of loneliness, which seriously affects the quality of life of older people in their later years.

Aims: A systematic review and synthesis of older people's experiences of loneliness in nursing homes.

Design: Following ENTREQ, do a systematic evaluation and synthesis of qualitative investigations.

Polypeptide from Moschus Suppresses Lipopolysaccharide-Induced Inflammation by Inhibiting NF-κ B-ROS/NLRP3 Pathway.

Objective: To examine the anti-inflammatory effects and potential mechanisms of polypeptide from Moschus (PPM) in lipopolysaccharide (LPS)-induced THP-1 macrophages and BALB/c mice.

Methods: The polypeptide was extracted from Moschus and analyzed by high-performance liquid chromatography and sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE). Subsequently, LPS was used to induce inflammation in THP-1 macrophages and BALB/c mice.

[Ecological Risk Assessment and Source Apportionment of Heavy Metals in Mineral Resource Base Based on Soil Parent Materials].

Mineral resource bases have dual properties, e.g., mineral resources and environmental pollution.

Immune checkpoint blockade therapy for BRAF mutant metastatic colorectal cancer: the efficacy, new strategies, and potential biomarkers.

BRAF mutant metastatic colorectal cancer has long been considered a tumor with a poor prognosis and a poor response to chemotherapy. Despite the efficacy of targeted therapy with multi-targeted blockade of the mitogen-activated protein kinase (MAPK) signaling pathway has brought a glimmer of hope to this group of patients, the need to improve treatment efficacy remains unmet, especially for the microsatellite stability/DNA proficient mismatch repair (MSS/pMMR) subtype. BRAF mutant colorectal cancer patients with high microsatellite instability/DNA deficient mismatch repair (MSI-H/dMMR) have high tumor mutation burden and abundant neoantigen, who are deemed as ones that could receive expected efficacy from immunotherapy.

Intraspecific variation in microhabitat selection in reintroduced Chinese giant salamanders.

Reintroduction of captive-bred Chinese giant salamanders is a primary approach for restoring wild populations. Despite previous studies have investigated the habitat preferences of reintroduced Chinese giant salamanders, the intraspecific variation in their habitat selection has been neglected. In the present study, 30 captive-bred Chinese giant salamanders belonging to 3 groups (i.

Unraveling the importance of functionally extreme tadpole types to functional diversity: a case study in temperate montane streams.

Background: Functional diversity is important to maintain ecosystem functioning. Species with different ecomorphological traits may display distinct functional roles in ecosystems. Accordingly, functionally extreme species are more important as they can exhibit specific strategies.

Reintroduction modifies the intraspecific variations of symbiotic microbes in captive bred Chinese giant salamander.

Microorganisms play as fundamental contributors to maintain hosts' fitness, which can be shaped by external environment. Moreover, symbiotic microbiome also varied within species (e.g.

Role of potential bioactive metabolites from traditional Chinese medicine for type 2 diabetes mellitus: An overview.

Type 2 diabetes mellitus (T2DM) is a metabolic disease with persistent hyperglycemia primarily caused by insulin resistance (IR). The number of diabetic patients globally has been rising over the past decades. Although significant progress has been made in treating diabetes mellitus (DM), existing clinical drugs for diabetes can no longer fully meet patients when they face complex and huge clinical treatment needs.

Distinct Amphibian Elevational and Seasonal Phylogenetic Structures Are Determined by Microhabitat Variables in Temperate Montane Streams.

Phylogenetic structure is a key facet of biodiversity, reflecting the evolutionary history of species, and thus can be used to understand various ecological patterns. Although amphibian phylogenetic structures have been tested across space and time separately, simultaneous quantifications are still needed. In the present study, amphibians in streams of Tianping mountain, China, were selected as the model to investigate their elevational spatial and seasonal temporal patterns of phylogenetic diversity.

Entropy Generation Analysis of the Flow Boiling in Microgravity Field.

Entropy generation analysis of the flow boiling in microgravity field is conducted in this paper. A new entropy generation model based on the flow pattern and the phase change process is developed in this study. The velocity ranges from 1 m/s to 4 m/s, and the heat flux ranges from 10,000 W/m to 50,000 W/m, so as to investigate their influence on irreversibility during flow boiling in the tunnel.

Transcriptome Analysis Revealed the Putative Pathway Genes Involved in Biosynthesis of Moracins in L.

Moracins, a kind of 2-phenyl-benzofuran compound from Moraceae, serve as phytoalexins with antimicrobial, anti-inflammatory, antitumor, and antidiabetes activities and respond to biotic and abiotic stresses, while their biosynthetic pathway and regulatory mechanism remain unclear. Here, we report a transcriptome sequencing for different tissues of seedlings, as well as leaves under different stresses, in L. A total of 88 282 unigenes were assembled with an average length of 937 bp, and 82.

Deep muscularis propria tumor invasion without lymph node metastasis as a unique subclassification of stage IB gastric cancer: a retrospective study.

Background: The prognosis difference based on the depth of tumor muscularis propria invasion in gastric cancer (GC) was still debated, and therapy strategy for stage IB GC patient required further investigation.

Methods: A total of 380 patients with pT2 GC after radical surgery were retrospectively analyzed, including 185 in superficial muscularis propria (sMP) group and 195 in deep muscularis propria (dMP) group.

Results: The overall survival (OS) was significantly better for patients in sMP group than for patients in dMP group (P = 0.

A Prognostic Signature Constructed by and in Stomach Adenocarcinoma.

Background: Stomach adenocarcinoma (STAD) is the most common histological type of stomach cancer, which causes a considerable number of deaths worldwide. This study aimed to identify its potential biomarkers with the notion of revealing the underlying molecular mechanisms.

Methods: Gene expression profile microarray data were downloaded from the Gene Expression Omnibus (GEO) database.

Clinical and pathological characteristics of multiple primary malignant neoplasms cases.

Objectives: To investigate the clinical and pathological features of multiple primary malignant neoplasms (MPMNs) cases.

Methods: The clinical data of 24 105 tumour patients admitted to Jiangsu Cancer Hospital in 2018 were retrospectively reviewed, and 270 patients with MPMNs were selected as the research subjects. Among them, 101 cases of synchronous carcinoma (SC) and 92 cases of metachronous carcinoma (MC) were divided into groups for statistical analysis.

Spatiotemporal patterns of anuran functional diversity in temperate montane forests.

Functional diversity is an integrative approach to better understand biodiversity across space and time. In the present study, we investigated the spatiotemporal patterns (i.e.