A5023350695- Metal complexes synthesis and properties
- DNA and Nucleic Acid Chemistry
- Porphyrin and Phthalocyanine Chemistry
- Photochemistry and Electron Transfer Studies
- Organoboron and organosilicon chemistry
- Synthesis and characterization of novel inorganic/organometallic compounds
- Photodynamic Therapy Research Studies
- Magnetism in coordination complexes
- Ferrocene Chemistry and Applications
- Organometallic Complex Synthesis and Catalysis
- Advanced Photocatalysis Techniques
- Organic Light-Emitting Diodes Research
- Molecular Sensors and Ion Detection
- Fluorine in Organic Chemistry
- CO2 Reduction Techniques and Catalysts
- Photochromic and Fluorescence Chemistry
- Synthesis and Characterization of Heterocyclic Compounds
- Luminescence and Fluorescent Materials
- Carbon dioxide utilization in catalysis
- Nanocluster Synthesis and Applications
- Free Radicals and Antioxidants
- Organic Electronics and Photovoltaics
- Conducting polymers and applications
- Radical Photochemical Reactions
- Advanced biosensing and bioanalysis techniques
Zhengzhou University of Light Industry
2012-2025
State Council of the People's Republic of China
2020
Peking University
2015
Peking University People's Hospital
2015
Zhengzhou University
2014
Sun Yat-sen University
2006-2010
South China Normal University
2008-2010
Ministry of Education of the People's Republic of China
2008
Guangdong Medical College
2008
State Key Laboratory of Optoelectronic Materials and Technology
2006
Ultrathin HNb<sub>3</sub>O<sub>8</sub>nanosheets with oxygen vacancies were successfully synthesized by a simple hydrothermal process. HNb<sub>3</sub>O<sub>8</sub>NSs showed excellent photocatalytic activity.
ABSTRACT Guided by density functional theory (DFT), four benzothiadiazole based bifunctional monomers with varying electronic properties and geometric sizes have been designed. Utilizing tri(4‐ethynylphenyl)amine (TEA) as a multifunctional monomer, temperature control, TEA‐based conjugated microporous polymers (CMPs) TEA‐BT1‐TEA‐BT4 synthesized Sonogashira Hagihara coupling polymerization. The effects of the on photocatalytic water splitting hydrogen evolution TEA CMPs investigated in...
Studies on the electronic structures and trend in DNA-binding affinities of a series Ru(II) complexes [Ru(bpy)2(p-R-pip)]2+ (bpy = 2,2-bipyridine; pip 2-phenylimidazo[4,5-f] [1,10]-phenanthroline; R −OH, −CH3, −H, −NO2) 1−4 have been carried out, using density functional theory (DFT) at B3LYP/LanL2DZ level. The absorption spectra these were also investigated time-dependent DFT (TDDFT) B3LYP//LanL2DZ/6-31G computational results show that substituents parent ligand (pip) significant effect...
A combined computational and experimental study on DNA-photocleavage by Ru(II) polypyridyl complexes [Ru(bpy)2(L)]2+ 1-3 (bpy = 2,2-bipyridine; L: pip 2-phenylimidazo[4,5-f]1,10-phenanthroline, o-mopip 2-(2-methoxyphenyl)imidazo[4,5-f]1,10-phenanthroline p-mopip 2-(4-methoxyphenyl)imidazo[4,5-f]1,10-phenanthroline) has been carried out. The behavior of these was comparably measured the gel electrophoresis experiments. results show that they can induce considerable DNA-photocleavage, have...
The activity of azaphosphatranes, novel types non-metal and solvent-free catalysts for the synthesis cyclic carbonates from epoxides CO<sub>2</sub>, is unraveled by DFT calculations.
The structures and related properties of the complex [Ru(phen)2(6-OH-dppz)]2+ (phen = 1,10-phenanthroline; dppz dipyrido [3,2-a:2',3'-c]phenazine) in ground state (S0), first singlet excited (S1), triplet (T1) have been studied using density functional theory (DFT), time-dependent (TD) DFT, Hartree−Fock (HF), configuration interaction singles (CIS) methods. Three electronic absorption-spectral bands (1MLCT, 1LL, 1LL) lying range 250−550 nm vacuo aqueous solution were theoretically...
The fluoroborylene ligand (BF), isoelectronic with CO, was recently (2009) realized experimentally by Vidović and Aldridge in Cp2Ru2(CO)4(μ-BF). In this research the related iron carbonyl complexes Fe(BF)(CO)n (n = 4, 3), Fe2(BF)(CO)8, Fe2(BF)2(CO)n 7, 6) are compared Fe(CO)n+1 Fe2(CO)n+2 as well thiocarbonyls Fe(CS)(CO)n Fe2(CS)2(CO)n using density functional theory. For Fe(BF)(CO)4 axially equatorially substituted trigonal bipyramidal structures predicted to be nearly degenerate is case...
Abstract Background Cytomegalovirus ( CMV ) enteritis after allogeneic hematopoietic stem cell transplantation (allo‐ HSCT is difficult to diagnose. We aimed evaluate the sensitivity and specificity of detection DNA in feces for predicting enteritis. Methods patients with intestinal graft‐versus‐host disease GVHD were enrolled if they met following criteria: (i) underwent a colonoscopy (ii) peripheral blood specimens available within 24 h colonoscopy. The histology was used as gold standard...
The lowest energy Cp2Fe2(BF)2(CO) structure is predicted by theory to have an iron–iron bond bridged both a difluorodiborene ligand and carbonyl group. Such potentially accessible reaction of B2F4·OEt2 with the highly nucleophilic NaFe(CO)2Cp followed decarbonylation.
Abstract Two novel chiral ruthenium(II) complexes, Δ‐[Ru(bpy) 2 (dmppd)] 2+ and Λ‐[Ru(bpy) (dmppd = 10,12‐dimethylpteridino[6,7‐ f ] [1,10]phenanthroline‐11,13(10 H ,12 )‐dione, bpy 2,2′‐bipyridine), were synthesized characterized by elemental analysis, 1 H‐NMR ES‐MS. The DNA‐binding behaviors of both complexes studied UV/VIS absorption titration, competitive binding experiments, viscosity measurements, thermal DNA denaturation, circular‐dichroism spectra. results indicate that bind to...
The thermodynamics of the binding a series structurally related Ru(II) antitumor complexes, that is, α-[Ru(azpy)2Cl2] 1, β-[Ru(azpy)2Cl2] 2, α-[Ru(azpy)(bpy)Cl2] 3, and cis-[Ru(bpy)2Cl2] 4 to DNA purine bases (gunine, adenine at N7 site) has been studied by using DFT method. imine form 9-methyladenine (9-MeAde) moiety in didentate fashion via its N6 atoms was also considered. geometrical structures model base adducts were obtained B3LYP/(LanL2DZ + 6−31G(d)) level vacuo. following exact...
The structure of Fe3(BF)3(CO)9 is predicted to be very different than that any the isoelectronic homoleptic M3(CO)12 derivatives (M = Fe, Ru, Os). Thus lowest energy by ∼19 kcal/mol has μ3-BF groups bridging top and bottom Fe3 triangle with a third edge-bridging BF group in addition nine terminal carbonyl groups. No analogous structures are found μ3-CO M3 triangle. Higher two μ-BF one also found, experimentally known Fe3(CO)12 structure. However, these transition states leading local minima...