Impact of AlphaFold on structure prediction of protein complexes: The CASP15-CAPRI experiment.

We present the results for CAPRI Round 54, the 5th joint CASP-CAPRI protein assembly prediction challenge. The Round offered 37 targets, including 14 homodimers, 3 homo-trimers, 13 heterodimers including 3 antibody-antigen complexes, and 7 large assemblies. On average ~70 CASP and CAPRI predictor groups, including more than 20 automatics servers, submitted models for each target.

Phased Feature Extraction Network for Vehicle Search Tasks Based on Cross-Camera for Vehicle-Road Collaborative Perception.

The objective of vehicle search is to locate and identify vehicles in uncropped, real-world images, which is the combination of two tasks: vehicle detection and re-identification (Re-ID). As an emerging research topic, vehicle search plays a significant role in the perception of cooperative autonomous vehicles and road driving in the distant future and has become a trend in the future development of intelligent driving. However, there is no suitable dataset for this study.

Identification of Potential JNK3 Inhibitors: A Combined Approach Using Molecular Docking and Deep Learning-Based Virtual Screening.

JNK3, a member of the MAPK family, plays a pivotal role in mediating cellular responses to stress signals, with its activation implicated in a myriad of inflammatory conditions. While JNK3 holds promise as a therapeutic target for neurodegenerative disorders such as Huntington's, Parkinson's, and Alzheimer's diseases, there remains a gap in the market for effective JNK3 inhibitors. Despite some pan-JNK inhibitors reaching clinical trials, no JNK-targeted therapies have achieved market approval.

WCx-Supported RuNi Single Atoms for Electrocatalytic Oxygen Evolution.

Single-atom catalysts anchored to oxide or carbonaceous substances are typically tightly coordinated by oxygen or heteroatoms, which certainly impact their electronic structure and coordination environment, thereby affecting their catalytic activity. In this study, we prepared a stable oxygen evolution reaction (OER) catalyst on tungsten carbide using a simple pyrolysis method. The unique structure of tungsten carbide allows the atomic RuNi catalytic site to weakly bond to the surface W and C atoms.

A hybrid energy-based and AI-based screening approach for the discovery of novel inhibitors of JAK3.

The JAKs protein family is composed of four isoforms, and JAK3 has been regarded as a druggable target for the development of drugs to treat various diseases, including hematologic tumors, cancer, and neuronal death. Therefore, the discovery of JAK3 inhibitors with novel scaffolds possesses the potential to provide additional options for drug development. This article presents a structure-based hybrid high-throughput virtual screening (HTVS) protocol as well as the DeepDock algorithm, which is based on geometric deep learning.

Assessment of ship speed, operational carbon intensity indicator penalty and charterer profit of time charter ships.

The operational carbon intensity indicator (CII) proposed by the International Maritime Organization (IMO) has been officially implemented on January 1, 2023. As an important way of ship operation, applicable time charter ships are subject to the CII regulation. How to properly deal with the CII regulation is a challenge for the shipowner and charterer of time charter ships.

Influence of samarium modification on the phase-change performance and phase structure of tin antimonide.

This work presents the optimization of the crystallization behavior and reliability of SnSbthin films by doping Sm element. The phase transition behaviors induced by thermal were investigated byresistance measurement. With the addition of Sm element, SnSbfilm exhibits the superior crystallization temperature (232 °C) and data conservation (172.

A Fast and Robust Lane Detection via Online Re-Parameterization and Hybrid Attention.

Lane detection is a vital component of intelligent driving systems, offering indispensable functionality to keep the vehicle within its designated lane, thereby reducing the risk of lane departure. However, the complexity of the traffic environment, coupled with the rapid movement of vehicles, creates many challenges for detection tasks. Current lane detection methods suffer from issues such as low feature extraction capability, poor real-time detection, and inadequate robustness.

Innovative Solid Slippery Coating: Uniting Mechanical Durability, Optical Transparency, Anti-Icing, and Anti-Graffiti Traits.

Slippery coatings, such as the slippery liquid-infused porous surface (SLIPS), have gained significant attention for their potential applications in anti-icing and anti-fouling. However, they lack durability when subjected to mechanical impact. In this study, we have developed a robust slippery coating by blending polyurethane acrylate (PUA) with methyltriethoxysilane (MTES) and perfluoropolyether (PFPE) in the solvent of butyl acetate.

Rational design of supramolecular self-assembly sensor for living cell imaging of HDAC1 and its application in high-throughput screening.

Supramolecular chemistry offers new insights in bioimaging, but specific tracking of enzyme in living cells via supramolecular host-guest reporter pair remains challenging, largely due to the interference caused by the complex cellular environment on the binding between analytes and hosts. Here, by exploiting the principle of supramolecular tandem assay (STA) and the classic host-guest reporter pair (p-sulfonatocalix[4]arene (SC4A) and lucigenin (LCG)) and rationally designing artificial peptide library to screen sequence with high affinity of the target enzyme, we developed a "turn-on" fluorescent sensing system for intracellular imaging of histone deacetylase 1 (HDAC1), which is a potential therapeutic target for various diseases, including cancer, neurological, and cardiovascular diseases. Based on computational simulations and experimental validations, we verified that the deacetylated peptide by HDAC1 competed LCG, freeing it from the SC4A causing fluorescence increase.

Orange-peel derived carbon-loaded low content ruthenium nanoparticles as ultra-high performance alkaline water HER electrocatalysts.

Carbon materials have a very wide range of applications in the field of electrocatalysis, both as catalyst bodies and as excellent supports for catalysts. In this work, we obtained a graphitic-like orange-peel derived carbon (OPC) material through pre-carbonization and KOH activation strategies using discarded orange-peel as a raw material. OPC has good graphitization characteristics and a few-layer structure, making it very suitable as a support for nanoparticle catalysts.

Modulation of HIV-1 capsid multimerization by sennoside A and sennoside B via interaction with the NTD/CTD interface in capsid hexamer.

Small molecules that bind to the pocket targeted by a peptide, termed capsid assembly inhibitor (CAI), have shown antiviral effects with unique mechanisms of action. We report the discovery of two natural compounds, sennoside A (SA) and sennoside B (SB), derived from medicinal plants that bind to this pocket in the C-terminal domain of capsid (CA CTD). Both SA and SB were identified via a drug-screening campaign that utilized a time-resolved fluorescence resonance energy transfer assay.

Increased ground-level O during the COVID-19 pandemic in China aggravates human health risks but has little effect on winter wheat yield.

In January 2020, the novel coronavirus (COVID-19) outbreak emerged in China, prompting the enforcement of stringent lockdown measures nationwide to contain its spread. Multiple studies have demonstrated that these measures successfully reduced the levels of air pollutants except for ozone (O). However, the potential risks of nationwide O changes during this period remain uncertain.

Study on damage failure for a new double-triangular truss core sandwich structure.

In order to solve the inherent problems of low bonding strength between face and core, a new double triangular truss core sandwich structure with reinforced frame is proposed, and the face and core are melt connected by thermoplastic composite carbon fiber reinforced polyether ether ketone (CF/PEEK). The response of the new double-triangular truss core sandwich structure under three-point bending load is investigated by both theoretical and finite element methods. Firstly, the theoretical prediction equation of bending stiffness and strength of double-triangular truss core sandwich structure is established, and the failure mechanism diagram is constructed.

Quantifying RNA structures and interactions with a unified reduced chain representation model.

RNA is a pivotal molecule that plays critical roles in various cellular processes. Quantifying RNA structures and interactions is essential to understanding RNA function and developing RNA-based therapeutics. Using a unified five-bead model and a non-redundant database, this paper investigates the structural features and interactions of five commonly occurring RNA motifs, i.

NLRP6 potentiates PI3K/AKT signalling by promoting autophagic degradation of p85α to drive tumorigenesis.

The PI3K/AKT pathway plays an essential role in tumour development. NOD-like receptors (NLRs) regulate innate immunity and are implicated in cancer, but whether they are involved in PI3K/AKT pathway regulation is poorly understood. Here, we report that NLRP6 potentiates the PI3K/AKT pathway by binding and destabilizing p85α, the regulatory subunit of PI3K.

Evaluation of teaching method for fluid mechanics course in engineering education.

The professional technology training of student is the important objective of engineering education, which could present the specialized ability in the future. This task is conducted to evaluation of teaching methods for fluid mechanics course in the mechanical engineering. With the teaching practice, the advantage of teaching method is found, and the teaching quality can be revealed by the scores of integrated test.

Dually Sulphophilic Chromium Boride Nanocatalyst Boosting Sulfur Conversion Kinetics Toward High-Performance Lithium-Sulfur Batteries.

The sluggish kinetics of sulfur conversions have long been hindering the implementation of fast and efficient sulfur electrochemistry in lithium-sulfur (Li-S) batteries. In this regard, herein the unique chromium boride (CrB) is developed via a well-confined mild-temperature thermal reaction to serve as an advanced sulfur electrocatalyst. Its interstitial-alloy nature features excellent conductivity, while the nano-lamination architecture affords abundant active sites for host-guest interactions.

g-CN promoted MOF-derived Fe single atoms anchored on N-doped hierarchically porous carbon for high-performance Zn-air batteries.

Exploring efficient, easy-to-manufacture, and inexpensive bifunctional electrocatalysts with abundant accessible active sites is crucial for rechargeable zinc-air batteries (ZABs). Herein, we report the strategy consisting of the space confinement and pore-making engineering to fabricate single-atom catalyst enriched with Fe-N sites anchored on N-doped hierarchically porous carbon (Fe-NC-CN). The optimized Fe-NC-CN exhibits excellent oxygen reduction/evolution reaction (ORR/OER) activities with a half-wave potential (E) of 0.

Emergency treatment mechanism of laboratory safety accidents in university based on IoT and context aware computing.

In recent years, safety accidents in university laboratories have occurred frequently. Not only do the accidents result in property damage, but also in injuries. Real-time environmental monitoring of the laboratory through IoT enables early detection of potential safety risks such as high temperatures, high humidity and gas leaks, and timely action to reduce the likelihood of accidents.

Engineering highly dispersed AgI nanoparticles on hierarchical InS hollow nanotube to construct Z-scheme heterojunction for efficient photodegradation of insecticide imidacloprid.

Increasing the exposure of active sites and improving the intrinsic activity are necessary considerations for designing a highly efficient photocatalyst. Herein, an InS/AgI stable Z-scheme heterojunction with highly dispersed AgI nanoparticles (NPs) is synthesized by the mild self-templated and in-situ ion exchange strategy. Impressively, the optimized InS/AgI-300 Z-scheme heterojunction exhibits superior photodegradation activity (0.

Hallmarks of Comparative Transcriptome between Rhizomorphs and Hyphae of sp. 541 Participating in Fungal Symbiosis with Emphasis on LysM Domains.

sp. 541, a genus of root-infecting fungi, forms a symbiosis with traditional Chinese medicine (Orchid) and via extensive networks of durable rhizomorphs. It is not clear the hallmarks of comparative transcriptome between the rhizomorphs and hyphae of sp.

The effect of smartwatch head shape on visual imagery perception.

Obesity-related diseases have been on the rise, making it important to promote physical activity. Smart sports watches are popular among young people and can play a role in this regard. This study aims to evaluate the impact of different watch head design types on the visual image of smart sports watches.

Uncovering the interactions between PME and PMEI at the gene and protein levels: Implications for the design of specific PMEI.

Context: Pectin methylesterase inhibitor (PMEI) can specifically bind and inhibit the activity of pectin methylesterase (PME), which has been widely used in fruit and vegetable juice processing. However, the limited three-dimensional structure, unclear action mechanism, low thermal stability and biological activity of PMEI severely limited its application. In this work, molecular recognition and conformational changes of PME and PMEI were analyzed by various molecular simulation methods.