Simulation Study on Diffusion and Local Structure of CH, CO, SO, and HO Mixtures into Double-Layers Graphene.

Graphene has been widely studied as an ideal material for the adsorption and separation. In this work, we used molecular dynamics simulations to investigate the evolution of diffusion and local structure of CH, CO, SO, and HO mixtures into double-layers graphene under seven different interlayer spacings and four different CO concentrations. The results showed that the adsorption of CH and CO molecules on the graphene surface weakened with increased interlayer spacing.

Theoretical Study on Intramolecular Hydrogen Bonds of Flavonoid Cocrystals.

This study investigates the role of intramolecular hydrogen bonds in the formation of cocrystals involving flavonoid molecules, focusing on three active pharmaceutical ingredients (APIs): chrysin (CHR), isoliquiritigenin (ISO), and kaempferol (KAE). These APIs form cocrystals with different cocrystal formers (CCFs) through intramolecular hydrogen bonding. We found that disruption of these intramolecular hydrogen bonds leads to decreased stability compared to molecules with intact bonds.

Heat exposure impacts on urban health: A meta-analysis.

The escalating health risks posed by warm weather in urban areas have become a pressing global public health issue. This study undertakes a meta-analysis to evaluate the impact of warm weather on health in urban settings. We comprehensively searched PubMed, Embase, Scopus, and Web of Science for literature published before September 6, 2023, evaluating evidence quality using the Navigation Guide Criteria.

Microbial Sulfur and Arsenic Oxidation Facilitate the Establishment of Biocrusts during Reclamation of Degraded Mine Tailings.

Degraded tailings generated by the mining of metal ores are major environmental threats to the surrounding ecosystems. Tailing reclamation, however, is often impeded due to adverse environmental conditions, with depleted key nutrients (i.e.

Differential Mechanisms of Microbial As(III) and Sb(III) Oxidation and Their Contribution to Tailings Reclamation.

Mine tailings are extremely oligotrophic environments frequently contaminated with elevated As and Sb, making As(III) and Sb(III) oxidation potentially important energy sources for the tailing microbiome. Although they have been proposed to share similar metabolic pathways, a systemic comparison of the As(III) and Sb(III) oxidation mechanisms and energy utilization efficiencies requires further elucidation. In this study, we employed a combination of physicochemical, molecular, and bioinformatic analyses to compare the kinetic and genetic mechanisms of As(III) and Sb(III) oxidation as well as their respective energy efficiencies for fueling the key nutrient acquisition metabolisms.

Structural Insights and Influence of Terahertz Waves in Midinfrared Region on Kv1.2 Channel Selectivity Filter.

Potassium ion channels are the structural basis for excitation transmission, heartbeat, and other biological processes. The selectivity filter is a critical structural component of potassium ion channels, whose structure is crucial to realizing their function. As biomolecules vibrate and rotate at frequencies in the terahertz band, potassium ion channels are sensitive to terahertz waves.

Knowledge graph completion method for hydraulic engineering coupled with spatial transformation and an attention mechanism.

In response to the limited capability of extracting semantic information in knowledge graph completion methods, we propose a model that combines spatial transformation and attention mechanisms (STAM) for knowledge graph embedding. Firstly, spatial transformation is applied to reorganize entity embeddings and relation embeddings, enabling increased interaction between entities and relations while preserving shallow information. Next, a two-dimensional convolutional neural network is utilized to extract complex latent information among entity relations.

Effect of THz Waves of Different Orientations on K Permeation Efficiency in the KcsA Channel.

Potassium (K) channels show the highest variability and most frequent alterations in expression in many tumor types, and modulation of K channels may represent a new window for cancer therapy. In previous work, we found that a terahertz (THz) field incident along the -axis with a frequency of 51.87 THz increased the ion flux through K channels.

Transformation of Diffusion and Local Structure of CH , CO , SO and H O Mixtures in Graphene Under Wide Temperature and Pressure Range: A Molecular Dynamics Simulation Study.

As a material with high specific surface area and excellent chemical stability, graphene exhibited remarkable adsorption and separation performance as well as a wide range of potential applications. The graphene layer played a significant role in influencing gas transmission. In this study, we employed molecular dynamics simulation to investigate the diffusion characteristics and local structures of a mixed system consisting of CH , CO , SO and H O.

Active control on topological interface states of elastic wave metamaterials with double coupled chains.

Topological elastic wave metamaterials have shown significant advantages in manipulating wave propagation and realizing localized modes. However, topological properties of most mechanical metamaterials are difficult to change because of structural limitations. This work proposes the elastic wave metamaterials with double coupled chains and active control, in which band inversion and topological interface modes can be achieved by flexibly tuning negative capacitance circuits.

Binding interaction of environmental DNA with typical emerging perfluoroalkyl acids and its impact on bioavailability.

As the replacement compounds of perfluoroalkyl acids (PFAAs), emerging PFAAs generally exhibit equal or more hazardous toxicity than legacy PFAAs. Numerous DNA as environmental organic matters coexists with emerging PFAAs, but their interactions and the resulting interaction impacts on the bioavailability of emerging PFAAs remain insufficiently understood. Here, we studied the binding strength and mechanism between DNA and emerging PFAAs (perfluorobutyric acid, perfluorobutylsulfonic acid, and hexafluoropropylene oxide dimer acid) using perfluorooctanoic acid as the control, and further investigated the impacts of DNA binding on the bioavailability of the emerging PFAAs.

Permeability enhancement of Kv1.2 potassium channel by a terahertz electromagnetic field.

As biomolecules vibrate and rotate in the terahertz band, the biological effects of terahertz electromagnetic fields have drawn considerable attention from the physiological and medical communities. Ion channels are the basis of biological electrical signals, so studying the effect of terahertz electromagnetic fields on ion channels is significant. In this paper, the effect of a terahertz electromagnetic field with three different frequencies, 6, 15, and 25 THz, on the Kv1.

Preparation of metal-organic framework combined with L. extract electrostatically spun nanofiber membranes delayed release wound dressing.

In this study, we prepared a polyacrylonitrile (PAN) composite nanofiber membrane comprising L. extract (POE) and a zinc-based metal-organic framework (MOF) by an growth method as a potentially new type of wound dressing with a slow drug-release effect, to solve the problem of the burst release of drugs in wound dressings. The effects of the MOF and POE doping on the nanofiber membranes were examined using scanning electron microscopy (SEM) and FTIR spectroscopy.

Effect of Terahertz Electromagnetic Field on the Permeability of Potassium Channel Kv1.2.

In this paper, the influence of external terahertz electromagnetic fields with different frequencies of 4 THz, 10 THz, 15 THz, and 20 THz on the permeability of the Kv1.2 voltage-gated potassium ion channel on the nerve cell membrane was studied using the combined model of the "Constant Electric Field-Ion Imbalance" method by molecular dynamics. We found that although the applied terahertz electric field does not produce strong resonance with the -C=O groups of the conservative sequence T-V-G-Y-G amino acid residue of the selective filter (SF) of the channel, it would affect the stability of the electrostatic bond between potassium ions and the carbonyl group of T-V-G-Y-G of SF, and it would affect the stability of the hydrogen bond between water molecules and oxygen atoms of the hydroxyl group of the 374THR side chain at the SF entrance, changing the potential and occupied states of ions in the SF and the occurrence probability of the permeation mode of ions and resulting in the change in the permeability of the channel.

Preparation and Characterization of Polycaprolactone (PCL) Antimicrobial Wound Dressing Loaded with Pomegranate Peel Extract.

In recent years, medicinal plant extracts have received remarkable attention due to their wound-healing properties. In this study, polycaprolactone (PCL) electrospun nanofiber membranes incorporated with different concentrations of pomegranate peel extract (PPE) were prepared. The results of the SEM and FTIR experiments demonstrated that the morphology of nanofiber is smooth, fine, and bead-free, and the PPE was well introduced into the nanofiber membranes.

Biallelic variants in IQCN cause sperm flagellar assembly defects and male infertility.

Study Question: What is the effect of defects in the manchette protein IQ motif-containing N (IQCN) on sperm flagellar assembly?

Summary Answer: Deficiency in IQCN causes sperm flagellar assembly defects and male infertility.

What Is Known Already: The manchette is a transient structure that is involved in the shaping of the human spermatid nucleus and protein transport within flagella. Our group recently reported that the manchette protein IQCN is essential for fertilization.

Regulation of Ion Permeation of the KcsA Channel by Applied Midinfrared Field.

Ion transport molecules are involved in many physiological and pathological processes and are considered potential targets for cancer treatment. In the large family of ion transport molecules, potassium (K) ion channels, as surface-expressed proteins, show the highest variability and most frequent expression changes in many tumor types. The key to exploring the permeation of K through potassium channels lies in the conserved sequence TVGYG, which is common in the selectivity filter (SF) region of all potassium channels.

Overexpression of HAT5 enhances drought and salt tolerance, and low-temperature sensitivity in transgenic tomato.

The homeodomain-leucine zipper protein HAT belongs to the homeodomain leucine zipper subfamily (HD-Zip) and is important for regulating plant growth and development and stress tolerance. To investigate the role of in tolerance to drought, salt, and low temperature stress, we selected a gene from T.T.

IQCN disruption causes fertilization failure and male infertility due to manchette assembly defect.

Total fertilization failure (TFF) is an important cause of infertility; however, the genetic basis of TFF caused by male factors remains to be clarified. In this study, whole-exome sequencing was firstly used to screen for genetic causes of TFF after intracytoplasmic sperm injection (ICSI), and homozygous variants in the novel gene IQ motif-containing N (IQCN) were identified in two affected individuals with abnormal acrosome structures. Then, Iqcn-knockout mice were generated by CRISPR-Cas9 technology and showed that the knockout male mice resembled the human phenotypes.

Nonlinear solitary waves in particle metamaterials with local resonators.

In this work, solitary wave solutions of particle mechanical metamaterials are studied, in which the mass-in-mass structure with local resonators is considered. The Hertzian contact theory is used to describe adjacent particles in a precompressed granular chain. The governing wave equations are decoupled, and the expressions of bright, dark, and peaked solitary waves are derived, respectively.

Risk Factors Associated with the Development of Colorectal Anastomotic Strictures Prior to Diverting Loop Ileostomy Reversal.

Background: Anastomotic strictures represent a major source of morbidity in colorectal surgery with an incidence reported up to 30%. Despite this, the mechanism by which strictures develop remains unclear. This study aims to determine the incidence of colorectal anastomotic strictures and associated risk factors among a series of diverted patients.

Broadband square cloak in elastic wave metamaterial plate with active control.

Cloaking invisibility is a novel technique that prevents the object from being detected in the background field. The development of new artificial materials and structures promotes the emergence of new achievements in cloaking research. In this work, a broadband square cloaking configuration of elastic wave metamaterial plate is designed and fabricated by the external active control system.

P011 Prevalence of Cannabis Use Disorder in Inflammatory Bowel Disease Hospitalizations in the United States and Effect on Length of Stay.

Background: The prevalence of cannabis use has been increasing in the United States in recent years. We examined the prevalence and predictors of cannabis use disorder among IBD hospitalizations and its effect on length of stay.

Methods: Using the 2017 National Inpatient Sample, cannabis use disorder was identified using ICD-10-CM code F12.

Interfacial Electronic Effects in Co@N-Doped Carbon Shells Heterojunction Catalyst for Semi-Hydrogenation of Phenylacetylene.

Metal-supported catalyst with high activity and relatively simple preparation method is given priority to industrial production. In this work, this study reported an easily accessible synthesis strategy to prepare Mott-Schottky-type N-doped carbon encapsulated metallic Co (Co@NC) catalyst by high-temperature pyrolysis method in which carbon nitride (g-CN) and dopamine were used as support and nitrogen source. The prepared Co@NC presented a Mott-Schottky effect; that is, a strong electronic interaction of metallic Co and N-doped carbon shell was constructed to lead to the generation of Mott-Schottky contact.

Electro-mechanical coupling diode of elastic wave in nonlinear piezoelectric metamaterials.

In this investigation, the bandgaps and nonreciprocal transmission of the nonlinear piezoelectric phononic crystal and elastic wave metamaterial are studied. Analytical solutions for the wave motion equations with the electro-mechanical coupling are obtained. According to the continuous conditions, the stop bands and transmission coefficients of both fundamental wave and second harmonic are derived by the stiffness matrix method.