The objective of this work was to investigate the sorption behavior gases, namely CO

The selective difunctionalization of N-heterocyclic carbene (NHC) boranes with alkenes has been achieved via decatungstate and thiol synergistic catalysis. catalytic system also allows stepwise trifunctionalization, leading to complex NHC three different functional groups which are challenging prepare by other methods. strong hydrogen-abstracting ability the excited enables generation boryl radicals from mono- di-substituted for realizing borane multifunctionalization. This...

Transition-metal complexes with Si–M bonds are important catalysts for hydrosilylation and hydrogenation reactions. However, the function of ligated silicon atom in organosilicon metal remains unknown. Herein, we unravel intriguing role silyl silane types active modes Si–Ni complex-catalyzed selective alkyne. Comprehensive density functional theory calculations were performed to investigate nickel hydride insertion, migration, H2 metathesis, oxidative addition mechanisms. The results suggest...

The incorporation of two distinct boryl groups at the same carbon center in organic molecules has attracted growing research interest due to its potential for facilitating controlled, precise synthesis through stepwise dual carbon-boron bond transformations. Here we report a method access unsymmetrical 1,1-diborylalkene (UDBA) stereoselectively via reaction readily available alkynes with neutral sp2 -sp3 diboron reagent (NHC)BH2 -Bpin (NHC=N-heterocyclic carbene). Attributing chemically...

Abstract Metal-organic framework (MOF) is a class of porous materials providing an excellent platform for engineering heterogeneous catalysis. We herein report the design MOF Zr-PZDB consisting Zr 6 -clusters and PZDB (PZDB = 4,4’-(phenazine-5,10-diyl)dibenzoate) linkers, which served as donor catalyst enhanced electron donor–acceptor (EDA) photoactivation. The high local concentration dihydrophenazine active centers in can promote EDA interaction, therefore resulting superior catalytic...

Abstract Comprehensive comprehension of the interaction between proteins and polyphenols is crucial for advancing their utilization in food processing. This study investigated no‐covalent pea protein isolate (PPI) quercetin (Que) through spectroscopic analysis molecular simulation. Fourier transform infrared spectroscopy circular dichroism spectrum showed that PPI Que changed secondary structure due to a decrease α‐helix content an increase random coil. Thermodynamic parameters indicated...

In this study, antioxidant peptides were prepared from hairtail surimi by hydrolysis. Response surface methodology coupled with a Box-Behnken design was applied to optimize hydrolysis conditions. The optimum conditions determined as: 12.1 h incubation time, 44.74 °C temperature and enzyme concentration 1858.85 U/g. amino acid compositions analysis showed most abundant in (HAP) Glutamic followed Aspartic Lysine. addition, the fraction of HAP molecular weight less than 3 kDa strongest activity...

Lewis acid-transition metal (LA-TM) catalysts have been proven to an advantage in catalyzing hydrogen activation. Herein, a high-dimensional structure-activity relationship study is performed for LA-TM-catalyzed activation by density functional theory calculations. The DPB-Ni complex taken as the representative catalyst, and explored acid sites transition-metal centers include B, Al, Ga Ni, Pd, Pt, respectively. Totally, four general mechanisms are systematically studied among nine catalytic...

Through the interception of RCONCl 2 , a versatile method for hydrolysis and esterification primary amides has been well developed.

The x-SnO2/α-Fe2O3 (x = 0.04, 0.07, and 0.1) heterogeneous composites were successfully prepared via a two-step solvothermal method. These systematically characterized by the X-ray diffraction technique, field emission scanning electron microscopy, an energy dispersive spectrometer, photoelectron spectroscopy UV-visible spectrometer. It was found that SnO2 nanoparticles uniformly decorated on surface of α-Fe2O3 particles in these composites. A comparative study methylene blue (MB)...

Electrophilic borane and nucleophilic boryl transition metal catalysts for H 2 activation.

Sulfonyl bromide and sulfonyl chloride are important compounds commonly used as building blocks in organic synthesis.This paper presents the successful synthesis of or from primary sulfonamide using isoamyl nitrite ( i AmONO) an activator, dibromantine (DBDMH) a bromine source, trichloroisocyanuric acid (TCCA) chlorine source.The method offers several advantages such wide range raw materials, compatibility with various substrates, high yield, mild reaction conditions.It is suitable for both...

Abstract 1,1-Diborylalkene, a class of important diboryl species, serves as the synthetic precursor multisubstituted olefin, which is prevalent building block in natural products, functional materials, and pharmaceuticals. Current methods mainly afford symmetrical 1,1-diborylalkenes, late-stage differentiation two identical boryl groups required to achieve selective difunctionalization. In comparison, stereoselective synthesis unsymmetrical 1,1-diborylalkenes (UDBA) are less-explored. This...

This study aims to deeply investigate the mechanism of NHC-Mn catalyzed ester hydrosilylation reaction and impact different ligands on activity through comprehensive application DFT calculations machine learning technologies. We initially proposed four possible mechanisms including two radical 2e mechanisms. Then calculate potential energy surfaces them. It was demonstrated that were implausible, while outer-sphere proven be reasonable. A detailed analysis Si–H bond activation step in...

The sensitive determination of VB 2 has broad analytical applications. In this work, a novel electrochemical sensor based on hydrothermal method was constructed to uniformly grow molybdenum disulfide and silver nanoparticles the surface electrospun carbon fiber. MoS -Ag-CNF characterized by scanning electron microscope, EDS spectrum, cyclic voltammetry, differential pulse voltammetry impedance spectroscopy. exhibited high sensitivity 0.05 μΜ 40 with fast response time low detection limit...

Poly(vinylidene fluoride) (PVDF) was used as an organic spacer to fabricate spin-valve devices for the first time. Their magnetoresistance (MR) effects with different layer numbers of PVDF were investigated at both room and low temperatures. The device resistances MR ratios increase decreasing measurement temperature. It is noted that temperature are over 2% 0.5% 3 layers 13 PVDF, respectively.