Ultrafast-response (20 μs) UV detectors, which are visible-blind and self-powered, in devices where an n-type ZnO nanowire partially lies on a p-type GaN film, demonstrated. Moreover, CdSe-nanowire red-light detector powered by nanoscale ZnO/GaN photovoltaic cell is also demonstrated, extends the device function to selective multiwavelength photodetector shows of optical logical AND gate. Detailed facts importance specialist readers published as "Supporting Information". Such documents...

The biaryl motif is a building block in many drugs, agrochemicals, and materials, as such it highly desirable synthesis target. state-of-the-art process for from ubiquitous carboxylic acids decarboxylative cross-coupling involving loss of carbon dioxide (CO2). However, the scope these methods severely limited, mainly due to specific substitution required promote decarboxylation. present report implements decarbonylative version with monoxide (CO) that enables directly engage Suzuki-Miyaura...

Coal and gas outbursts pose significant threats to underground personnel, making the development of accurate prediction models crucial for reducing casualties. By addressing challenges highly nonlinear relationships among predictive parameters, poor interpretability models, limited sample data in existing studies, this paper proposes an interpretable Ali Baba Forty Thieves–Transformer–Support Vector Machine (AFT-Transformer-SVM) model with high accuracy. The Thieves (AFT) algorithm is...

Herein, we describe a highly selective method for the direct decarbonylative step-down reduction of carboxylic acids to arenes, proceeding <italic>via</italic> well defined Pd(0)/(II) catalytic cycle.

This study addresses the problems of multi-source data redundancy, insufficient feature capture timing, and delayed risk warning in prediction gas concentration fully mechanized coal-mining operations by constructing a three-pronged technical approach that integrates dimensionality reduction, hybrid modeling, intelligent early warning. First, sparse kernel principal component analysis (SKPCA) is used to accomplish decoupling monitoring data, its optimal reduction performance verified using...

Addressing common challenges such as limited indicators, poor adaptability, and imprecise modeling in gas pre-warning systems for driving faces, this study proposes a hybrid predictive model grounded time-series analysis. The aim is to tackle the effects of broad application across diverse mines insufficient data on warning accuracy. Firstly, we introduce an adaptive normalization (AN) standardizing sequence data, prioritizing recent information better capture characteristics readings....

It is noted that existing mine emergency-rescue algorithms have overlooked the requirement for multi-route sharing at critical nodes and offered limited network visualisation. Consequently, a multi-team rescue-path-planning algorithm based on FA-MDPSO (Firefly Algorithm-Multiple Constraints Discrete Particle Swarm Optimisation) was proposed, graph-structure optimisation method combining Force-Directed Layout with Breadth-First Search introduced node arrangement Methodologically, superiority...

The Lewis acid-promoted generation of destabilized vinyl cations from β-hydroxy diazo ketones leads to an energetically favorable 1,2-shift across the alkene followed by irreversible C–H insertion give cyclopentenone products. This reaction sequence overcomes typical challenges counter-ion trapping and rearrangement reversibility has been used study migratory aptitudes nonequivalent substituents in uncommon C(sp2) C(sp) cation rearrangement. aptitude trends were consistent with those...

Fleeting intermediates constitute dynamically stepwise mechanisms. They have been characterized in molecular dynamics trajectories, but whether these form a free energy minimum to become entropic remains elusively defined. We developed computational protocol known as path sampling evaluate the variation of reacting species along reaction based on an ensemble trajectories. Using cyclopentadiene dimerization model reaction, we observed entropy maximum which originates from enhanced...

Direct trajectory calculations have become increasingly popular in recent computational chemistry investigations. However, the exorbitant cost of ab initio usually limits its application mechanistic explorations. Recently, machine learning-based potential energy surface (ML-PES) provides a powerful strategy to circumvent heavy and meanwhile maintain required accuracy. Despite appealing potential, constructing robust ML-PES is still challenging since training set PES should cover broad enough...

Abstract Transition metal‐catalyzed amide C−N bond activation has emerged as a powerful strategy to utilize amides in synthetic transformations. The key mechanistic basis for the rational design of reagents is structure‐activity relationship activation. In this work, controlling factors Ni/PCy 3 ‐catalyzed barrier are elucidated with density functional theory (DFT) calculations and distortion/interaction analysis. We found that substrate distortion factor differentiates reactivity associated...

Efficient evacuation route planning during underground coal mine fires is essential to minimize casualties. This study addresses current shortcomings by proposing a real-time method that integrates multifactor coupling analysis and the optimized multilayer perceptron regressor-shortest path faster algorithm (MSPFA). research aims enhance overcoming factors such as inadequate consideration, low accuracy, information lag in existing methods. improves shortest (SPFA) for dynamic planning,...

Fleeting intermediates constitute dynamically-stepwise mechanisms. They have been characterized in molecular dynamics trajectories, but whether these form a free energy minimum to become entropic intermediate remains elusively defined. We developed computational protocol known as path sampling evaluate the variation of reacting species along reaction based on an ensemble trajectories. Using cyclopentadiene dimerization model reaction, we observed shallow trap (–T∆S = –0.8 kcal/mol) which...

Fleeting intermediates constitute dynamically-stepwise mechanisms. They have been characterized in molecular dynamics trajectories, but whether these form a free energy minimum to become entropic intermediate remains elusively defined. We developed computational protocol known as path sampling evaluate the variation of reacting species along reaction based on an ensemble trajectories. Using cyclopentadiene dimerization model reaction, we observed shallow trap (–T∆S = –0.8 kcal/mol) which...