Markov chain Monte Carlo is one of the most useful tools for obtaining samples from complex distributions, such as posterior distributions in Bayesian inference. Bouncy particle sampler (BPS) is a method that performs sampling using uniform linear motion and elastic collisions. Since BPS does not require time discretization, it is expected to be more advantageous than the widely used Hamiltonian Monte Carlo (HMC) and Langevin Monte Carlo (LMC) for distributions with large curvature changes. To sample more efficiently from multimodal distributions, we propose BPS with parallel tempering (BPS-PT) in the infinite exchange limit, based on LMC-PT with an infinite exchange rate proposed in a previous study. Using a distribution with large curvature changes, BPS-PT showed estimation accuracy comparable to HMC-PT and LMC-PT, and achieved higher ESS per unit computational time. Therefore, BPS-PT is considered to be effective for distributions with large curvature changes.
Methanol, as a low-carbon oxygenated fuel, shows great potential for application in compression-ignition engines, yet its low cetane number poses challenges for auto-ignition. In this work, a pre-chamber turbulent jet ignited methanol spray diffusion combustion system is proposed to achieve single-fuel methanol compression ignition. A large-eddy-simulation approach coupled with a reduced chemical kinetic mechanism was validated against visualization experiments and subsequently employed to systematically investigate the influence of pre-chamber jet-orifice angles (20 degrees/40 degrees/60 degrees) on combustion characteristics. Results show that the small-angle orifice yields the lowest turbulent kinetic energy, whereas the medium- and large-angle configurations exhibit significantly enhanced turbulence intensity accompanied by a slight reduction in mass flow rate. As the jet orifice angle (theta) increases, the consequent change in jet trajectory shifts the impingement point from the downstream vapor-phase region to the upstream liquid-phase region of the spray, which intensifies droplet disturbance, promotes spray dispersion and evaporation, slightly reduces liquid-phase penetration, and shortens the flame lift-off length. Consequently, the combustion mode transitions from lean- to rich-mixture diffusion combustion. This study provides a theoretical foundation and key design guidelines for developing methanol engines with high methanol-substitution ratios, high power density, and simplified system architecture.
Redox-active quinone derivatives (QDs) were hybridized with activated carbon (AC) through a solvent-free, room-temperature process that requires only mixing the two components in a sealed container. Four representative QDs-tetramethyl-1,4-benzoquinone (TMBQ), 2,6-di-tert-butyl-1,4-benzoquinone (DBBQ), phenylbenzoquinone (PBQ), and naphthoquinone (NQ)-were examined. TMBQ, DBBQ, and NQ were rapidly adsorbed via interfacial interactions from the AC particle surfaces into the pores, whereas PBQ exhibited relatively slower adsorption. Importantly, water molecules inherently present in AC pores did not hinder QD adsorption, demonstrating that drying is unnecessary. By quantifying the water content in AC, adsorption levels could be precisely controlled without the need for heating or vacuum treatment. Structural and calorimetric analyses confirmed that adsorption was driven by strong pi-pi interactions. When evaluated in an aqueous H2SO4 electrolyte, the AC/QD hybrids showed extensive interfacial contact between QDs and conductive carbon surfaces, facilitating rapid and reversible redox reactions confined within the AC pores. As a result, the hybrids delivered significantly enhanced volumetric capacitances compared with pristine AC and maintained higher absolute volumetric capacitance even after 10 000 cycles, when employed as electrochemical capacitor electrodes. This interfacial adsorption strategy eliminates the need for organic solvents, heating, vacuum treatment, filtration, drying, purification, and specialized apparatus, underscoring the decisive role of interfaces in governing electrochemical behaviour. The findings demonstrate a sustainable and energy-efficient pathway to high-performance carbon-quinone hybrid electrodes, advancing interfacial science in electrochemical energy storage.
Endo-, beta -N-acetylglucosaminidases (ENGases) are endoglycosidases that hydrolyze the glycosidic bond between two N-acetylglucosamine residues in asparagine-linked glycans. ENGases are crucial tools for the structural analysis and glycan remodeling of glycoproteins. However, current ENGase activity assays are often complex and unsuitable for high-throughput analysis. To address this, we developed Forster resonance energy transfer (FRET)-based glycan molecular probes for the real-time detection of ENGase activity. We synthesized di-, tri-, and pentasaccharide probes bearing a fluorophore at the non-reducing end and a quencher at the reducing end, and evaluated their quenching efficiencies for activity detection. The pentasaccharide probe, MM3D, was efficiently cleaved by EndoM, resulting in a significant increase in fluorescence. These results successfully demonstrate that our Furthermore, we constructed a library of probes with diverse glycan structures. Using this library, we evaluated the activities of six commercially available ENGases and observed their distinct substrate specificities. This FRET probe library represents a valuable tool for detecting ENGase activity and will significantly contribute to advances in glycobiology research.
