BI-RRT*: An improved path planning algorithm for secure and trustworthy mobile robots systems.

The optimal RRT in elliptic space sampling (Informed-RRT*) is an extension of RRT that provides asymptotic optimality, however, it experiences gradual progress and close to obstacles. In the paper, we propose a novel path planning algorithm guided bidirectional Informed-RRT* (BI-RRT*), that introduces extension range, dual-direction exploration, and refinement in trajectory design. The growth range refers to maintaining an additional area from the obstacle to enhance the dependability of the path through preventing impacts.

The security of IOT from the perspective of the observability of complex networks.

The Internet of Things (IOT) is based on the computer Internet, using RFID, wireless data communication and other technologies to construct a network covering everything in the world. It contains numerous entities such as sensors, processors, transmitters and actuators, meanwhile the interactions of which are complicated. These characteristics of IOT are consistent with those of the complex network.

A decentralized and security-enhanced professional title evaluation system in universities under mobile Internet of Things.

Digital online application is a commonly used method for professional title evaluation in colleges and universities. With the rapid development of the mobile Internet of Things, the fastest way for users to access the evaluation system is through mobile devices. However, this also poses security challenges to the traditional professional title evaluation system.

Efficient utilization of photoelectron-hole at semiconductor-microbe interface for pyridine degradation with assistance of external electric field.

In this study, enhanced pyridine bio-photodegradation with assistance of electricity was achieved. Meanwhile, photoelectron-hole played a vital role in accelerating pyridine biomineralization. The significant separation of photoelectron-hole was achieved with an external electric field, which provided sufficient electron donors and acceptors for pyridine biodegradation.

Discovery of potent small molecule inhibitors of histone lysine methyltransferase NSDs.

Nuclear receptor binding SET domain (NSD) proteins are a class of histone lysine methyltransferases and implicated in multiple cancer types with aberrant expression and involvement of cancer related signaling pathways. In this study, a series of small-molecule compounds including compound 2 and 3 are identified against the SET domain of NSDs through structure-based virtual screening. Our lead compound 3 exhibits potent inhibitory activities in vitro towards the NSD2-SET and NSD3-SET with an IC of 0.

Research Progress on Atomically Dispersed Fe-N-C Catalysts for the Oxygen Reduction Reaction.

The efficiency and performance of proton exchange membrane fuel cells (PEMFCs) are primarily influenced by ORR electrocatalysts. In recent years, atomically dispersed metal-nitrogen-carbon (M-N-C) catalysts have gained significant attention due to their high active center density, high atomic utilization, and high activity. These catalysts are now considered the preferred alternative to traditional noble metal electrocatalysts.

Carbon reduction and cost control of container shipping in response to the European Union Emission Trading System.

In response to the EU ETS, we propose a cost model considering carbon emissions for container shipping, calculating fuel consumption, carbon emissions, EUA cost, and total cost of container shipping. We take a container ship operating on a route from the Far East to Northwest Europe as a case study. Environmental and economic impacts of including maritime transport activities in the EU ETS on container shipping are assessed.

Identification of 3-aryl-5-methyl-isoxazole-4-carboxamide derivatives and analogs as novel HIF-2α agonists through docking-based virtual screening and structural modification.

Hypoxia-inducible factor-2 (HIF-2) serves as the pivotal transcription factor in cellular responses to low oxygen levels, particularly concerning the regulation of erythropoietin (EPO) production. A docking-based virtual screening on crystal structures of HIF-2α inhibitors unexpectedly identified 3-phenyl-5-methyl-isoxazole-4-carboxamide derivative v19 as a hit of HIF-2α agonist. Further structural optimizations of compound v19 led to the discovery of a series of HIF-2α agonists with novel scaffolds.

Geometric deep learning for the prediction of magnesium-binding sites in RNA structures.

Magnesium ions (Mg) are essential for the folding, functional expression, and structural stability of RNA molecules. However, predicting Mg-binding sites in RNA molecules based solely on RNA structures is still challenging. The molecular surface, characterized by a continuous shape with geometric and chemical properties, is important for RNA modelling and carries essential information for understanding the interactions between RNAs and Mg ions.

Photocatalytic cyclization of 3-(2-isocyanophenyl)quinazolin-4(3)-ones for the construction of quinoxalino[2,1-]quinazolinones.

A new kind of building unit, 3-(2-isocyanophenyl)quinazolin-4(3)-ones, was designed and synthesized for the construction of novel quinoxalino[2,1-]quinazolinones. The radical cyclization of 3-(2-isocyanophenyl)quinazolin-4(3)-ones with ethers afforded ether-substituted tetracyclic quinoxalino[2,1-]quinazolinones under photocatalytic and metal-free conditions. In the process, the isocyano accepts a carbon radical to give an imidoyl radical, which adds to the electron-deficient CN bond in quinazolin-4(3)-one.

Modelling of the in-stent thrombus formation by dissipative particle dynamics.

Background: Stent implantation is a highly efficacious intervention for the treatment of coronary atherosclerosis. Nevertheless, stent thrombosis and other post-operative complications persist, and the underlying mechanism of adverse event remains elusive.

Methods: In the present study, a dissipative particle dynamics model was formulated to simulate the motion, adhesion, activation, and aggregation of platelets, with the aim of elucidating the mechanisms of in-stent thrombosis.

Research Progress in Tumor Diagnosis Based on Raman Spectroscopy.

Background: Cancer is a major disease that threatens human life and health. Raman spectroscopy can provide an effective detection method.

Objective: The study aimed to introduce the application of Raman spectroscopy to tumor detection.

Carbon-Coated Tin-Titanate derived SnO/TiO nanowires as High-Performance anode for Lithium-Ion batteries.

Tin dioxide (SnO) is a promising alternative material to graphite anode, but the large volume change induced electrode pulverization issue has limited its application in lithium-ion batteries (LIBs). In contrast, titanium dioxide (TiO) anode shows high structure stability upon lithium insertion/extraction, but with low specific capacity. To overcome their inherent disadvantages, combination of SnO with TiO and highly conductive carbon material is an effective way.

Status and Prospects of Research on Deep Learning-based De Novo Generation of Drug Molecules.

Traditional molecular de novo generation methods, such as evolutionary algorithms, generate new molecules mainly by linking existing atomic building blocks. The challenging issues in these methods include difficulty in synthesis, failure to achieve desired properties, and structural optimization requirements. Advances in deep learning offer new ideas for rational and robust de novo drug design.

FeNS─OH Single-Atom Sites Anchored on Hollow Porous Carbon for Highly Efficient pH-Universal Oxygen Reduction Reaction.

Regulating the asymmetric active center of a single-atom catalyst to optimize the binding energy is critical but challenging to improve the overall efficiency of the electrocatalysts. Herein, an effective strategy is developed by introducing an axial hydroxyl (OH) group to the Fe─N center, simultaneously assisting with the further construction of asymmetric configurations by replacing one N atom with one S atom, forming FeNS─OH configuration. This novel structure can optimize the electronic structure and d-band center shift to reduce the reaction energy barrier, thereby promoting oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) catalytic activities.

Application of Surface Wettability to Control Spreading of an Impacting Droplet.

While the simplest outcome of a normal impact on a flat stationary solid surface is radially symmetric spreading, it is important to note that asymmetric spreading can intrinsically occur with a tangential velocity along the surface. However, no previous attempt has been made to restore the symmetry of a lamella that intrinsically spreads asymmetrically. Adjusting the lamella's asymmetric shape to a symmetric one is achieved in this work by varying wettability to affect the receding velocity of the contact line, according to the Taylor-Culick theory.

One-pot synthesis of interfacially bonded BiOBr/BiS Z-scheme heterostructures with boosted photocatalysis towards dodecylbenzenesulfonate and real hotel laundry wastewater.

The ubiquitous contamination of surfactants in wastewater has raised global concerns. Photocatalysis is deemed as a promising yet challenging approach for the decomposition of surfactant residues. Herein, a novel Z-scheme heterojunction of BiOBr/BiS with covalent S-O bonds was prepared via a facile one-pot hydrothermal and subsequent annealing process.

Natural aging and adsorption/desorption behaviors of polyethylene mulch films: Roles of film types and exposure patterns.

Polyethylene (PE) mulch films are an important source of microplastics (MPs) in agricultural soils, which may further affect the bioavailability of coexisting pollutants. In this study, white (WM), black (BM), and silver-black (SM) PE mulch films were aged on the soil surface and under soil burial to simulate the two exposure patterns of abandoned mulch films in the field. Results indicated that the soil-surface exposure induced more pronounced aging characteristics, and WM seemed the most susceptible.

RuO Catalysts for Electrocatalytic Oxygen Evolution in Acidic Media: Mechanism, Activity Promotion Strategy and Research Progress.

Proton Exchange Membrane Water Electrolysis (PEMWE) under acidic conditions outperforms alkaline water electrolysis in terms of less resistance loss, higher current density, and higher produced hydrogen purity, which make it more economical in long-term applications. However, the efficiency of PEMWE is severely limited by the slow kinetics of anodic oxygen evolution reaction (OER), poor catalyst stability, and high cost. Therefore, researchers in the past decade have made great efforts to explore cheap, efficient, and stable electrode materials.

Identification and assessment of new PIM2 inhibitors for treating hematologic cancers: A combined approach of energy-based virtual screening and machine learning evaluation.

PIM2, part of the PIM kinase family along with PIM1 and PIM3, is often overexpressed in hematologic cancers, fueling tumor growth. Despite its significance, there are no approved drugs targeting it. In response to this challenge, we devised a thorough virtual screening workflow for discovering novel PIM2 inhibitors.

Decision tree-based identification of important molecular fragments for protein-ligand binding.

Fragment-based drug design is an emerging technology in pharmaceutical research and development. One of the key aspects of this technology is the identification and quantitative characterization of molecular fragments. This study presents a strategy for identifying important molecular fragments based on molecular fingerprints and decision tree algorithms and verifies its feasibility in predicting protein-ligand binding affinity.

Dual-outward contraction-induced construction of 2D hollow carbon superstructures.

A novel dual-outward contraction mechanism is applied to construct 2D hollow carbon superstructures (HCSs) pyrolysis of hybrid ZIF superstructures. One outward contraction stress is offered by the formed thin carbon shell, while another originates from the interconnected facets of ZIF polyhedra within the ZIF superstructure.

Optimization of virtual screening against phosphoinositide 3-kinase delta: Integration of common feature pharmacophore and multicomplex-based molecular docking.

Extensive research has accumulated which suggests that phosphatidylinositol 3-kinase delta (PI3Kδ) is closely related to the occurrence and development of various human diseases, making PI3Kδ a highly promising drug target. However, PI3Kδ exhibits high homology with other members of the PI3K family, which poses significant challenges to the development of PI3Kδ inhibitors. Therefore, in the present study, a hybrid virtual screening (VS) approach based on a ligand-based pharmacophore model and multicomplex-based molecular docking was developed to find novel PI3Kδ inhibitors.

Wireless sensor network routing optimization based on improved ant colony algorithm in the Internet of Things.

The Internet of Things (IoT) connects devices, enabling real-time data acquisition, automation, and collaboration. Wireless sensor networks are one of the important components of the Internet of Things, consisting of many wireless sensor nodes distributed in space. These nodes can perceive environmental information and transmit it to other nodes through wireless communication.