A5049096249- Oxidative Organic Chemistry Reactions
- Radical Photochemical Reactions
- CO2 Reduction Techniques and Catalysts
- Catalytic C–H Functionalization Methods
- biodegradable polymer synthesis and properties
- Catalytic Cross-Coupling Reactions
- Organic Chemistry Cycloaddition Reactions
- Free Radicals and Antioxidants
- Asymmetric Synthesis and Catalysis
- Catalysis and Oxidation Reactions
- Axial and Atropisomeric Chirality Synthesis
- Asymmetric Hydrogenation and Catalysis
- Nanomaterials for catalytic reactions
- Synthetic Organic Chemistry Methods
- Porphyrin and Phthalocyanine Chemistry
- Chemical Reactions and Mechanisms
- Organoboron and organosilicon chemistry
- Electrocatalysts for Energy Conversion
- Carbon dioxide utilization in catalysis
- Carbon and Quantum Dots Applications
- Catalysis for Biomass Conversion
- Vanadium and Halogenation Chemistry
- Advanced Chemical Physics Studies
- Machine Learning in Materials Science
- Cyclopropane Reaction Mechanisms
Xinjiang University
2023-2025
Xinjiang Institute of Engineering
2018-2025
Beijing Railway Institute of Mechanical & Electrical Engineering Group (China)
2024-2025
Beijing Haidian Hospital
2020-2024
Beijing Zhongke Science and Technology (China)
2024
Tsinghua University
2018-2020
Numerous efforts are being made toward constructing artificial nanopockets inside heterogeneous catalysts to implement challenging reactions that difficult occur on traditional catalysts. Here, the enzyme-mimetic fabricated typical UiO-66 by coordinating zirconium nodes with terephthalate (BDC) ligands and monocarboxylate modulators including formic acid (FC), acetic (AC), or trifluoroacetic (TFA). When used in transfer hydrogenation of alkyl levulinates isopropanol γ-valerolactone (GVL),...
Maleimide-cysteine chemistry has been a routine practice for the site-specific labeling of fluorophores to proteins since 1950s. This approach, however, cannot bring out best photon budget fluorophores. Here, we systematically measured Cyanine3/5 dye conjugates via maleimide-thiol and amide linkages by counting total emitted photons at single-molecule level. While brightness signal-to-noise ratios do not change significantly, dyes with thioether exhibit more severe photobleaching than...
In this study, the degradation behavior of poly(lactic acid) nanocomposite films (PLA/Hec-g@PS) under extreme natural environments was investigated, and degraded PLA based were applied to adsorb Cu(II). During early midstages degradation, surface roughness crack propagation rate PLA/Hec-g@PS significantly lower than those films. This could be due fact that Hec-g@PS enhanced interaction forces between C-O-C + CH
ABSTRACT In order to improve the crystallization properties and toughness of PLA film, poly(ethylene glycol) (PEG)‐modified carbon dots (CDs) were synthesized as nanofillers achieve this goal. PEG‐CDs characterized by Fourier transform infrared spectrometer (FTIR), static contact angle measurement, X‐ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), thermogravimetric analyzer (TGA), results demonstrated that PEG chains successfully grafted onto surface CDs....
Ag(I) salts have demonstrated superior catalytic activity in the cubane-cuneane rearrangement. This research presents a comprehensive mechanistic investigation using high-level computations. The reaction proceeds via oxidative addition (OA) of to C-C bond, followed by C-Ag bond cleavage and subsequent dynamically concerted carbocation OA exhibits significant more electrophilic nature than classical transition metal-induced OA, is attributed accessibility highly "bare" Ag
A comprehensive computational study on dyotropic rearrangements of β-lactones has been performed for the first time, which provides a valuable guidance predicting and controlling selectivity reactions.
We explored the mechanism of Markovnikov-selective hydrosilylation phenylacetylene catalyzed by N–N–N Pincer–cobalt complex with density functional theory (DFT) calculations. In contrast to previously proposed Co(I) mechanism, computational results suggest a Co(0) pathway, which is further supported experimental studies. At same time, our study reveals unexpected complexity in terms origin regioselectivity. First, different orientations between phenyl group substrate and ligand plane lead...
A mechanistic insight into the hetero‐ and homodimerizations (HETD HOMD) of styrenes promoted by hypervalent iodine reagents (HVIRs; DMP PIDA ) facilitated hexafluoro2‐propanol (HFIP) to yield all‐ trans cyclobutanes is reported using density functional theory (DFT) calculations. The initialization involving direct bimolecular one‐electron transfer found be highly unfavored, especially for system. At this point, we suggest that reaction initiated with an overall two‐electron reductive...
Density functional theory (DFT) was applied to understand the mechanistic pathway of gold( i )-catalyzed cyclization propargylic amide, and reveal impact expanded-ring N -heterocyclic carbenes.
Organic fluorophores are the keystone of advanced biological imaging. The vast chemical space has been extensively explored in seek molecules with ideal properties. However, within current molecular constraints, there appears to be a trade-off between high brightness, robust photostability, and tunable biochemical Herein we report general strategy systematically boost performance donor-acceptor-type by leveraging SO2 O-substituted azabicyclo[3.2.1] octane auxochromes. These bicyclic...
Although palladium-catalyzed aryl–nitro bond activation reaction has recently gained a lot of interest, it still requires rather harsh conditions. We here systematically explore the substituent effect on oxidative addition steps, known as rate-determining step, by density functional theory simulations based Nakao's nitrogen heterocyclic carbene (NHC) ligand. The key aryl ring catalyst, A, acts π-donor and stabilizes palladium center transition state, thus an electron-rich A is expected to...
The new types of elementary reaction in which a nucleophilic addition (A) to quinones is coupled with electron transfer (ET) and even further proton (PT) are suggested herein by density functional theory calculation, called Addition Coupled Electron Transfer (ACET) Proton (ACPCET). With [2.2]paracyclophane-derived biquinone as the substrate, nature onto its sp2 carbons exhibits change from stepwise A-ET-PT ACET-PT ACPCET, parallel decreased nucleophilicity attacking reagent. In addition, we...
The mechanism of Pb(IV) promoted phenol oxidative dearomatization reaction has been traditionally attributed to a carbocation mechanism. In 2011, Pettus reported an leading mixture formal [5+2] and C–O bond formation product. By employing density functional theory (DFT) quasi-molecular dynamics calculations, it was demonstrated that the does not occur through intermediate, but instead proceeds addition-coupled electron transfer (ACET) Moreover, ACET exhibits ambimodality, wherein transition...
Abstract Oxoammonium salts have demonstrated superior efficacy as reagents in mediating various reactions involving tertiary alcohols, including the eliminative functionalization of benzylic oxidative rearrangement allylic and Nazarov cyclization. These been believed to be triggered by addition alcohols N−O double bonds oxoammonium cations. However, this work, a combination density functional theory (DFT) ab initio molecular dynamics (AIMD) calculations shows that formation adduct is...
Ag(I) salts have demonstrated superior catalytic activity in the cubane-cuneane rearrangement. This research presents a comprehensive mechanistic investigation to answer following questions: (1) What is specific mechanism involved? (2) How does Ag differ from other metals this context? (3) nature of oxidative addition by salts? (4) choice ligand or counteranion influence reaction? Based on findings, system based chiral ether predicted exhibit milder Lewis acidity, lower reaction barriers,...