Cu-catalyzed cross-couplings under ligandless conditions

The possibility to carry out Cu-catalyzed cross-couplings under ligandless conditions was studied.It was found that by using K_3PO_4 as the base,the cross-coupling could proceed successfully between aryl iodides and several types of nucleophiles.Aryl bromides were completely inactive under the same reaction conditions.     

Quantum chemistry investigation on the active site of Mn-SOD

In this paper, we carried out a theoretical study on the active site structures of the Mn-SOD with ab initio Hartree–Fock SCF method, and analyzed the molecular orbital energies, charges and atomic orbital contribution to the frontier molecular orbital.     

Facile synthesis of 9-（N-amino-4-fluoromethyl-3-pyrrolidinyl）-2- fluoro-6-aminopurine from trans-4-hydroxy-L-proline

A novel and simple procedure for synthesis of azanucleoside by Mitsunobu reaction between N-(p-nitrobenzyloxycarbonyl)- trans-4-hydroxy-D-proline methyl ester obtained from trans-4-hydroxy-L-proline after six-step reaction and 2-fluoro-6-azidopurine is described,and azanucleoside is fluorinated by new fluridizer 2,2-difluoro-1,3-dimethylimidazolidine (DFI).All reactions could be carded out under mild condition.     

A New HPLC Method to Determine Carbonyl Compounds in Air

In this paper,a new HPLC method was established to determine the earbonyl compounds in air.As the absorbent,2,4-dinitrophenylhydrazint(2,4-DNPH)reaeted with earbonyls specifieally,which form the corresponding 2,4-dinitrophenylhydrazones,then analyzed by HPLC.The chromatographic conditions,the recovery rate,stability of samples,reagent blank,sampling efficiency were all studied systematically.The results showed that this established method had high sensitivity and good selectivity compared with other analytical methods,and it can detemine ten earbonyl compounds in air in 26 min simultancously.     

镧对镉胁迫下豌豆幼苗根部细胞内离子平衡及膜质子泵的影响

以水培豌豆(PisumsativumL)幼苗为材料,研究了La3+对Cd2+胁迫下豌豆幼苗生长、叶部与根部细胞对Cd2+的吸收、根部细胞内无机离子平衡体系及膜H+-ATPase,H+-PPase活性的影响。结果表明:Cd2+胁迫下喷施适宜浓度的La3+(0.50mg·L-1)可使豌豆幼苗相对生物量、苗长、叶绿素含量以及光合速率受到的毒害明显缓解,有效减少叶部与根部细胞对Cd2+的吸收,显著减轻了Cd2+胁迫导致的离子平衡系统的紊乱,明显缓解Cd2+对质膜及液泡膜H+-ATPase,H+-PPase活性的抑制作用。10mg·L-1Cd2+胁迫下La3+的保护效应比30mg·L-1Cd2+胁迫下更为显著。样品中La3+的测定和分析结果还表明,外源La3+处理后,La3+主要结合于细胞膜外,进入原生质体的仅占很小部分,但30mg·L-1Cd2+处理样品中La3+进入细胞的量则明显多于10mg·L-1Cd2+处理的样品。     

Fabrication of ultrathin films with large third-order nonlinear optical properties.

An ultrathin composite film containing anionic Ag-His complexes (His: L-Histidine) and oppositely charged BH-PPV was fabricated by means of the electrostatic layer-by-layer self-assembly technique. UV/Vis spectra showed a continuous deposition process of Ag-His complexes and BH-PPV. The film structure was characterized by using small-angle X-ray diffraction, AFM, and SEM. The nonlinear optical properties of the ultrathin film were studied by using the Z-scan technique with a laser duration of 8 ns at a wavelength of 532 nm. The film sample exhibited a strong nonlinear saturated absorption, with an alpha2 value of -3.9 x 10(-5) mW(-1) and a self-defocusing effect with an n2 value of -4.78 x 10 (-12) m2W(-1).     

Photopolymerization induced by a benzophenone derivative photoinitiator

A benzophenone derivative photoinitiator, HBP-TDI-HQ-TDI-HBP （HTCTH）, was synthesized based on 4-hydroxy benzophenone （HBP）, toluene-2,4-diisocyanate （TDI） and hydroquinone （HQ）. HTCTH was a more effective photoinitiator which had longer wavelength absorption in the UV-vis absorption spectra than the low molecular counterpart benzophenone （BP）. It showed that both rate of polymerization （Rp） and final conversion （P） increased with increase of amine and HTCTH concentration in photopolymerization.     

An Efficient Synthesis of Pyrazolo[3,4‐b]Pyridine Derivatives in Aqueous Media

A series of pyrazolo[3,4‐b]pyridines was synthesized by the reaction of 5‐aminopyrazole with benzylidenemalononitrile in aqueous media. The structures were characterized by IR, ¹H NMR, and elemental analysis and were further confirmed by X‐ray diffraction analysis.     

从头计算方法比较TiSi_2的C54相和C49相

采用平面波超软赝势描述多电子体系,利用密度泛函理论和广义梯度近似,计算出C54相和C49相TiSi2的晶格常数、体弹性模量、形成能、电子态密度(DOS)和Mulliken电荷布居等性质.通过比较这两种物质的性质,发现尽管两者形成能很相近,但C49相结构对称性差、体弹性模量小、熔点低,Ti原子d轨道的反键强、离子性弱.这些性质上的差异和C49相TiSi2在固相反应中优先形成有关.     

A Large Conformational Change of a Bridged β-Cyclodextrin Dimer in Aqueous Solution

A novel bridged β-CD dimer in which two β-cyclodextrins were linked by a naphthalene at positions 2 and 7 has been synthesized. 1H and 13CNMR measurements showed that a large change in the conformation of the dimer occurred in aqueous solution. The dimer interacted with methyl and ethyl orange to form stable inclusion complexes via "induced fit" mechanism.