A5039136827- Advanced Combustion Engine Technologies
- Photochemistry and Electron Transfer Studies
- Heat transfer and supercritical fluids
- Spectroscopy and Quantum Chemical Studies
- Free Radicals and Antioxidants
- Combustion and flame dynamics
- Advanced Chemical Physics Studies
- Catalysis and Oxidation Reactions
- Thermochemical Biomass Conversion Processes
- Catalytic Processes in Materials Science
- Atmospheric chemistry and aerosols
- Molecular Junctions and Nanostructures
- Subcritical and Supercritical Water Processes
- Combustion and Detonation Processes
- Chemical Thermodynamics and Molecular Structure
- Rocket and propulsion systems research
- Petroleum Processing and Analysis
- Polymer composites and self-healing
- Thermal and Kinetic Analysis
- Electrochemical Analysis and Applications
- Photochromic and Fluorescence Chemistry
- Catalysis and Hydrodesulfurization Studies
- Porphyrin and Phthalocyanine Chemistry
- Advanced Thermodynamics and Statistical Mechanics
- Spectroscopy and Laser Applications
Shanghai Jiao Tong University
2022-2025
Shandong Agricultural University
2025
XinHua Hospital
2025
Nanjing University of Aeronautics and Astronautics
2017-2025
Sichuan University
2015-2024
Beijing University of Chemical Technology
2012-2024
Beijing Normal University
2021-2024
Chinese Academy of Medical Sciences & Peking Union Medical College
2020-2024
Sichuan Agricultural University
2024
Northwest Normal University
2024
Photodynamic therapy (PDT) has emerged as an important minimally invasive tumor treatment technology. The search for effective photosensitizer to realize selective cancer become one of the major foci in recent developments PDT Controllable singlet-oxygen release based on specific cancer-associated events, another layer selectivity mode, attracted great attention years. Here, first time, we demonstrated that a novel mixed-metal metal–organic framework nanoparticle (MOF NP) can be activated by...
Hydrogen sulfide (H2S) has been regarded as the third important gaseous signaling molecule involved in human physiological and pathological processes. Due to high reactive diffusible properties of H2S, real-time detection H2S fluctuations living biological specimens is crucial. Here, we present a Cu(II)-metalated 3D porous nanoscale metal-organic framework (nano-MOF) {CuL[AlOH]2}n (PAC; H6L = meso-tetrakis(4-carboxylphenyl)porphyrin) successfully employ this nano-MOF novel heterogeneous...
Aromatic hydrocarbon fuels, such as toluene, are important components in real jet fuels. In this work, reactive molecular dynamics (MD) simulations employing the ReaxFF force field have been performed to study high-temperature oxidation mechanisms of toluene at different temperatures and densities with equivalence ratios ranging from 0.5 2.0. From MD simulations, we found that initiation consumption is mainly through three ways, (1) hydrogen abstraction reactions by oxygen molecules or other...
Phosphate is an important anion in both the aquatic environment and biological systems. The search for a selective sensitive phosphate ratiometric fluorescent probe to quantify level water samples body fluids of great significance protection ecological human health. Here, porphyrin-based nano metal–organic framework (NMOF), PCN-224, was successfully exploited as simple but highly single-component with accurate composition measurable structure quantitative determination phosphate, based on...
Rapid antimicrobial action is an important advantage of peptides (AMPs) over antibiotics, which also a reason for AMPs being less likely to induce bacterial resistance. However, the structural parameters and underlying mechanisms affecting killing rate remain unknown. In this study, we performed structure–activity relationship (SAR) study using As-CATH4 5 as templates. We revealed that hydrophobicity, rather than other characteristics, critical parameter determining α-helical AMPs. With...
The objective of this study was to evaluate the targeted T1-magnetic resonance imaging (MRI), quantitative biodistribution and toxicity aptamer (AS411) conjugated Mn3O4@SiO2 core–shell nanoprobes (NPs) in human cervical carcinoma tumor-bearing mice. NPs were firstly prepared by encapsulating a hydrophobic Mn3O4 core within an amino functionalized silica shell. fluorophore rhodamine (RB) doped into shell amphiphilic polymer poly(ethylene glycol) (PEG) modified on surface improve its...
1 四川大学化学学院, 成都 610064; 2 四川大学化学工程学院, 610065) 摘要: 通过对 RP-3 航空煤油成分的分析, 以及对 8 组替代模型的对比实验, 选取了 73.0%(质量分数)正十二 烷, 14.7% 1,3,5-三甲基环己烷, 12.3%正丙基苯作为 航空煤油的替代模型.使用本课题组自主研发的机 理自动生成程序 ReaxGen, 构建了 替代燃料的高温燃烧详细机理, 用该机理模拟了激波管点火延时, 并 与实验数据进行比较.用物质产率分析和近似轨迹优化算法(ATOA)简化方法简化了详细机理.
For the first time, we report synthesis of Ag NPs arranged in a helical structure on chiral MOF. This material can serve as new type SERS sensor for efficient recognition enantiomers.
Abstract Photodynamic therapy (PDT) has emerged as an important minimally invasive tumor treatment technology. The search for effective photosensitizer to realize selective cancer become one of the major foci in recent developments PDT Controllable singlet‐oxygen release based on specific cancer‐associated events, another layer selectivity mode, attracted great attention years. Here, first time, we demonstrated that a novel mixed‐metal metal–organic framework nanoparticle (MOF NP) can be...
In the present work, reaction mechanisms for thermal decomposition of cyclohexane in gas phase have been investigated using quantum chemical calculations and transition-state theory. Three series schemes containing 38 elementary reactions are proposed. The geometry optimization vibrational frequencies reactants, transition states, products determined at BH&HLYP/cc-pVDZ level, while energies calculated CCSD(T)/cc-pVDZ level. rate constants without including initial steps (C–C bond scission or...
A series of recyclable networks with shape memory effect was prepared by the Diels–Alder reaction between furan-functionalized poly(hydroxyaminoethers) (PHAEs) and 1,5-bis(maleimido)-2-methylpentane (MPDBMI). Compression molding used to recycle MPDBMI/PHAE films. The retro-Diels–Alder reactions PHAEs MPDBMI were confirmed Fourier transform infrared, differential scanning calorimetry (DSC), solubility test. Furthermore, mechanical properties original recycled systematically investigated a...
We report implementation of the equation motion coupled-cluster approach for ionized states (EOMIP-CC) with spin-orbit coupling (SOC) using closed-shell state as reference in this work. Ionization potentials (IPs) are calculated 1h and 2h1p space EOM at CC singles (CCS) well doubles levels (CCSD). In EOMIP-CC approach, SOC is included either both steps or only step. It should be noted that IPs provided by step not size-intensive. Time-reversal symmetry spatial exploited D2h its subgroups to...