Constructing Predictive Implicit Solvent Models: Insights from Exploring Potential Parameter Space and Property Predictions.

Implicit solvent (IS) models enhance the efficiency of simulating liquid systems, but those based on the potential of mean force calculations using explicit solvent (ES) models often fail to capture the solute structure and assembly dynamics under various conditions. This study examines the relationships between the parameter space of IS models and their predictive capabilities regarding solute structure and assembly dynamics, focusing on NaCl solutions and protein-bound silica colloidal nanoparticles. For NaCl solutions, models developed using concentration-dependent dielectric constants generally lack efficacy, and their effectiveness in predicting high-concentration liquid structures varies based on the ES model used.

Molecular insights into the activation mechanism of GPR156 in maintaining auditory function.

The class C orphan G-protein-coupled receptor (GPCR) GPR156, which lacks the large extracellular region, plays a pivotal role in auditory function through G. Here, we firstly demonstrate that GPR156 with high constitutive activity is essential for maintaining auditory function, and further reveal the structural basis of the sustained role of GPR156. We present the cryo-EM structures of human apo GPR156 and the GPR156-G complex, unveiling a small extracellular region formed by extracellular loop 2 (ECL2) and the N-terminus.

Comparative metagenomics highlights the habitat-related diversity in taxonomic composition and metabolic potential of deep-sea sediment microbiota.

Sediment plays a pivotal role in deep-sea ecosystems by providing habitats for a diverse range of microorganisms and facilitates the cycling processes of carbon, sulfur and nitrogen. Beyond the normal seafloor (NS), distinctive geographical features such as cold seeps (CS) and hydrothermal vent (HV) are recognized as life oases harboring highly diverse microbial communities. A global atlas of microorganisms can reveal the notable association between geological processes and microbial colonization.

Toward Precise Fabrication of Finite-Sized DNA Origami Superstructures.

DNA origami enables the precise construction of 2D and 3D nanostructures with customizable shapes and the high-resolution organization of functional materials. However, the size of a single DNA origami is constrained by the length of the scaffold strand, and since its inception, scaling up the size and complexity has been a persistent pursuit. Hierarchical self-assembly of DNA origami units offers a feasible approach to overcome the limitation.

A composite dressing combining ultralong hydroxyapatite nanowire bio-paper and a calcium alginate hydrogel accelerates wound healing.

An acute wound is the most common type of skin injury. Developing wound dressings with excellent mechanical properties, wound protection, comfort, angiogenic capacity and therapeutic effects is significant for effective treatments, yet remains challenging. Herein, we have designed a novel HAP-Alg composite dressing comprising a complementary ultralong hydroxyapatite (HAP) nanowire bio-paper and calcium alginate hydrogel.

Red Sea crisis impacts on maritime shipping networks.

The Red Sea crisis (RSC) is an ongoing military conflict affecting maritime trade. Based on automatic identification system data, this study analyzed the changes in vessel behavior in the Red Sea using the seasonal decomposition method. The number and speed of vessels decreased significantly after the RSC, and many vessels chose to sail away from the Red Sea rather than anchor at its shores.

School Climate and School Identification as Determinants of Internet Gaming Disorder Among Chinese Adolescent Internet Gamers: Cross-Sectional Mediation Study.

Background: School climate and school identification are important features of the school environment and potential determinants of adolescent internet gaming disorder (IGD).

Objective: This novel study investigated their joint effects on IGD and related mediation mechanisms via the interpersonal factor of teacher-student relationship and the individual factors of academic stress and anxiety.

Methods: A large-scale cross-sectional study was conducted among adolescent internet gamers of junior, senior, and vocational middle schools in Taizhou City, China, from February to March 2022 (N=5778).

A systematic review of the clinical treatment of patients with fecal incontinence by artificial anal sphincter.

Background: This study aimed to evaluate and compare the safety and efficacy of artificial anal sphincters in clinical practice.

Methods: A systematic review of literatures on artificial anal sphincters in PubMed, MEDLINE, EMBASE, Web of Science, and the Cochrane Library was performed. The literature was reviewed three times by several independent investigators, resulting in the identification of 47 studies that met the inclusion criteria.

Understanding the effects of different loadings on properties of a silicon/carbon anode for lithium batteries.

Battery cells based on different silicon/carbon (Si/C) loadings were assembled in this work. Their battery performance, in particular their capacity and cycling stability, was evaluated. The battery was assembled in a way that a pure Li metal counter electrode, LiPF liquid electrolyte and pole piece with Si/C coatings were employed.

Defining the features and structure of neutralizing antibody targeting the silent face of the SARS-CoV-2 spike N-terminal domain.

Research on virus/receptor interactions has uncovered various mechanisms of antibody-mediated neutralization against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). However, understanding of neutralization by antibodies targeting the silent face, which recognize epitopes on glycan shields, remains limited, and their potential protective efficacy in vivo is not well understood. This study describes a silent face neutralizing antibody, 3711, which targets a non-supersite on the N-terminal domain (NTD) of the spike protein.

Structural insights into endogenous ligand selectivity and activation mechanisms of FFAR1 and FFAR2.

Free fatty acid receptors (FFARs) play critical roles in metabolic regulation and are potential therapeutic targets for metabolic and inflammatory diseases. A comprehensive understanding of the activation mechanisms and endogenous ligand selectivity of FFARs is essential for drug discovery. Here, we report two cryoelectron microscopy structures of the human FFAR1 bound to the endogenous ligand docosahexaenoic acid (DHA) and G protein as well as FFAR2 in complex with butyrate and G at 3.

The ultrastructural and proteomic analysis of mitochondria-associated endoplasmic reticulum membrane in the midbrain of a Parkinson's disease mouse model.

Recent studies indicated that the dysregulation of mitochondria-associated endoplasmic reticulum membrane (MAM) could be a significant hub in the pathogenesis of Parkinson's disease (PD). However, little has been known about how MAM altered in PD. This study was aimed to observe morphological changes and analyze proteomic profiles of MAM in 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP)-induced PD mouse models.

Urine PLA2R Antibody Detection in Hazard Stratification of PLA2R-Associated Membranous Nephropathy.

Context.—: M-type phospholipase A2 receptor (PLA2R) is the major autoantigen of membranous nephropathy (MN). As the specific antibodies of MN, the correlation between serum PLA2R antibody (sPLA2R-Ab) levels and PLA2R-associated MN (PMN) risk stratification is still controversial.

Research progress of main components from Epimedii Folium (Yinyanghuo) in the treatment of male reproductive dysfunction and application & development status of Epimedii Folium.

Ethnopharmacological Relevance: Epimedii Folium (Yinyanghuo) is a commonly used Chinese herb that plays a significant role in a lot of herbal formulae used to treat sexual dysfunction. Recently, an increasing amount of research on Epimedii Folium related to male reproductive dysfunction has been reported, and the exploration and application of Epimedium are also expanding rapidly. Flavonoids make up the vast majority of the chemical composition of Epimedii Folium, with small amounts of icarsides series, alkaloids, polysaccharide, volatile oils and other natural compounds.

T2-LiCoO: A Durable, High-Capacity, High-Rate Cathode Material for Lithium-Ion Batteries.

Efficient utilization of resources is crucial for the sustainable development of the lithium-ion battery industry. Although the traditional R m space group LiCoO can provide a current advanced discharge capacity of 215-220 mAh g⁻¹ at an upper cut-off voltage of 4.6 V (relative to Li⁺/Li), it still falls far short of its theoretical specific capacity of 273 mAh g⁻¹, and exhibits structural instability and labile oxygen loss, leading to rapid capacity degradation.

Multi-Level High Entropy-Dissipative Structure Enables Efficient Self-Decoupling of Triple Signals.

The theory of high entropy-dissipative structure is confined to high-entropy alloys and their oxide materials under harsh conditions, but it is very difficult to obtain high entropy-dissipative structure for smart sensors based on polymers and metal oxides under mild conditions. Moreover, multiple signal coupling effect heavily hinder the sensor applications, and current multimodal integrated devices can solve two signal-decoupling, but need very complicated process way. In this work, new synthesis concept is the first time to fabricate high entropy-dissipative conductive layer of smart sensors with triple-signal response and self-decoupling ability within poly-pyrrole/zinc oxide (PPy/ZnO) system.

A Bifunctional Iron-Nickel Oxygen Reduction/Oxygen Evolution Catalyst for High-Performance Rechargeable Zinc-Air Batteries.

Efficient and robust electrocatalysts for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) are crucial for fuel cells, metal-air batteries, and other energy technologies. Here, a highly stable, efficient bifunctional OER/ORR electrocatalyst (FeNi-NC@MWCNTs) is reported and demonstrated its integration and robust performance in an aqueous Zinc-air battery (ZAB). The catalyst is based on neighboring iron/nickel sites (FeNiN) which are atomically dispersed on porous nitrogen-doped carbon particles.

A High-Performance Micro Differential Pressure Sensor.

With the development of the micro electromechanical system (MEMS), which widely adopts micro differential pressure sensors (MDPSs), the demand for high-performance MDPSs had continuously increased. Pressure sensors realized using MEMS technology integrated with biomedical catheters are of significant importance in the detection and treatment of various biological diseases. Biomedical catheters used in low-Fr applications (1Fr = 0.

ScAlN PMUTs Based on Flexurally Suspended Membrane for Long-Range Detection.

Piezoelectric micromachined ultrasonic transducers (PMUTs) have been widely applied in distance sensing applications. However, the rapid movement of miniature robots in complex environments necessitates higher ranging capabilities from sensors, making the enhancement of PMUT sensing distance critically important. In this paper, a scandium-doped aluminum nitride (ScAlN) PMUT based on a flexurally suspended membrane is proposed.