DIRECT ELECTROCHEMICAL SYNTHESIS AND CHARACTERIZATION OF NEODIMIUM （Ⅲ） COMPLEX WITH 2-HYDROXY-2,4,6-CYCLOHEPTATRIENONE（TROPOLONE）

Tris(tropolonato)neodimium(Ⅲ）has been prepared by the electrochemical oxidation of neodimium metal anode in acetonitrile solution of 2-hydroxy-2,4,6-cycloheptatrienone(tropolone).The unusual divalent neodimium complex was formed at the first step of electrosyn-thesis.The final product,Nd(C7H6O2)3,has been characterized by microanalysis and the studies of IR and ^1H,C3 NMR spectra.     

Theoretical study on the lithium bond interaction of furan homologues C_4H_4Y (Y=O, S) with LiCH_3 via DFT and MP2

The optimizations geometries and interaction energy corrected by BSSE of the complexes between C4H4Y (Y=O, S) and CH3Li have been calculated at the B3LYP/6-311 G** and MP2/6-311 G** levels. Three complexes were obtained. Abnormally, the calculations showed that all the C10—Li14 bond lengths increased obviously but the blue-shift of C10—Li14 stretching frequency occurred after formed complexes. The calculated binding energy with basis set super-position error (BSSE) and zero-point vibrational energy corrections of complexes I―III is ?45.757, ?35.700 and ?39.107 kJ·mol?1, respectively. The analyses on the combining interaction with the atom-in-molecules theory (AIM) also showed that a relatively strong lithium bond interaction presented in furan homologues C4H4Y---LiCH3 systems. Natural bond orbital theory (NBO) analysis has been performed, and the results revealed that the com- plex I is formed with n-σ type lithium bond interaction between C4H4O and LiCH3, complex II is formed with π-s type lithium bond interaction between C4H4O and LiCH3, and complex III is formed with π-s and n-s type lithium bond interactions between C4H4S and LiCH3, respectively.     

Cloning, sequencing and expression of a swine IgG H chain gene inE. coli

A DNA fragment about 1.5 kb has been isolated from spleen of adult Chinese swine by RT-PCR. The DNA fragment encodes immunoglobulin IgG H chain gene. Sequencing analysis showed that the DNA fragment is 1 425 bp long, complete CDS. The C region of the gene has been classified as Subclass Ig γ3, and is the same as reported by Sun et al., but V region of the present gene is 42 bp less by comparison. The gene has been ligated into expression vector pET-3b (NSEB)( - ). A protein about 52 ku has been expressed in E. coli with an expression level of about 21 % .     

Microdynamics study on reaction of atom H and radical NH (X~3∑)

The dynamics of the H + NH→N + H2 reaction has been investigated by means of the 3-atom model quasiclassical trajectory approach. The LEPS potential energy surface is employed in the study, which is obtained from the ab initio results and has an early saddle point in the minimum energy path. The results indicate that the reaction product H2 is mainly scattered backward, and the reaction is found to occur via a direct channel. The product H2 is in a cold excitation of rotational state, but has a hot vibrational excitation. Based on the potential surface and the trajectory analysis, the reaction mechanism has been explained successfully.     

Synthesis of L-cystine bridged bis(p-cyclodextrin) and its cooperative binding toward guest molecules

A novel p-cyclodextrin derivative, L-cystine bridged bis(β-cyclodextrin) 1 has been synthesized and characterized by 1H NMR, 13C NMR, IR, Raman and combustion analyses. Spectrofluorometric titrations have been performed in aqueous phosphate buffer solution (pH=7.20) at 25℃ to give the complex stability constants (Ks) and Gibbs free energy changes (-△G°) for the stoichiometric 1 : 1 inclusion complexation of 1 with four dyes. The binding abilities and molecular selectivities are discussed from the viewpoint of size/shape-fit and electrostatic interactions between hosts and guests. 2D ROESY investigation for the complexation between host and guest further confirms the cooperative binding of bridged cyclodextrin 1 with guest.     

Template—free electrosynthesis of aligned poly（p—phenylene） microtubules

Poly （p-phenylene)(PPP) microtubules with diameters of 0.2-0.8μm and lengths of -10μm have been synthesized by direct oxidation of benzene in the mixed electrolyte of boron trifluoride diethyl etherate(BFEE)and trifluoroacetic acid(TFA)(BFEE:TFA=2:1,by volume),containing a certain amount dodecylbenzene-sul-fonate(SDBS)as surfactant.The microtubules were grown vertically on the working electrode surface.The tubular morphology has been confirmed by scanning and transmission electron microscopies and the chain structure of the skin of the tubules has been characterized by Raman spectros-copy.The electrode property,monomer/surfactant molar ration and the value of applied potentical have strong effects on the morphology of the microtubules.     

Synthesis of a symmetrical tetrasubstituted cucurbit[6]uril and its host-guest inclusion complex with 2,2′-bipyridine

Synthesis of a symmetrical tetrasubstituted cucurbit[6]uril has been achieved by using the diether of dimethylglycoluril (1) and the dimmer of glycoluril (2). The structure of the symmetrical tetramethylcucurbit[6]uril (TMeQ[6]) has been determined by single crystal X-ray diffraction, ^1H NMR spectroscopy and ESMS. The ^1H NMR spectra of 2,2‘-bipyridine added to TMeQ[6] reveal that the host-guest inclusion complex was easily formed.     

A new 3-D Gd–Cu heterometallic polymer [Gd_2Cu_3(bpy)_2-(ip)_6]·6H_2O with a non-interpenetrated α-Po net

A new 3-D porous Gd-Cu heterometallic polymer [Gd2Cu3(bpy)2(ip)6]·6H2O (1) (bpy = 2,2'-bipyridine, H2ip = isophthalic acid) has been hydrothermally synthesized and structurally characterized. Compound 1 crystallizes in the triclinic space group P1and displays a 3-D non-interpenetrated α-Po network with 1-D channels filled transversely by the hexa-nuclear chain-like (H2O)6. The EPR and thermal stability of 1 were investigated.     

Theoretical study on photophysical property of C_(60)M(CO)_5 (M=Cr,Mo and W)

Configurations of three η2 models of transition-metal 60 fullerene derivatives C60M(CO)5(M=Cr,Mo and W) have been optimized at B3LYP/LanL2DZ level.On the basis of the optimized geometrical structures,their electronic spectra and the frequency dependence of third-order nonlinear optical polarizabilities γ in different optical processes of third-harmonic generation(THG),electric-field-induced sec-ond-harmonic generation(EFISHG) and degenerate four-wave mixing(DFWM) are calculated by using TDB3LYP model based on LanL2DZ level coupled with the SOS(sum-over-state) method.The obtained results show that their electronic spectra have a red shift compared with that of 60 fullerene and dif-ferent transition-metal functional groups added to C60 cage may result in different spectrum properties.For the three studied species,(η2-C60)Mo(CO)5 has the largest third-order nonlinear optical polarizability.     

Colossal magnetoresistance and spin-glass properties of La1－xTexMnO3 (x = 0.04, 0.1)

For the first time, a novel material of La1-x^-TexMnO3 (x = 0.04, 0.1), in which the La ions are replaced by the nonmetal element Te in the Chalcogen, has been synthesized. The material has a rhombohedral lattice with the space group of R 3^- c, and Te ions have a tetravalence state. The curves of the resistivity vs. temperature indicate that this material has the property of a metal-semiconductor transition and the colossal magnetoresistance (CMR) effect. The maximum magnetoreistance ratio MR= [p(0) - p(H)]/p(0) is about 51% at 4 T for x = 0.1. Besides, a spin-glass behavior at low magnetic fields is observed in this compound.     

Concentration modulation laser spectroscopy of the C2 molecule Swan (d3Πg←a3Πu) system

The rotational structure of the C2 molecule Swan (d3Πg←a3Πu) system (0,1) band has been recorded by optical heterodyne magnetic rotation enhanced concentration modulation laser spectroscopy in the range of 17730～17880 cm-1. The C2 molecule is generated by an electric discharge through a mixture of acetylene and argon gas and a well-resolved spectrum is recorded with an absolute accuracy of 0.007 cm-1. Sensitivity of the method enables us to observe not only the traditionally observed branches of ΔΩ＝0 sub-bands but also some ΔΩ≠0 transitions, providing a slight improvement in the accuracy of some molecular constants of the two states. The theoretical spectra are simulated using the effective Hamiltonian of Brown and Merer and directly fitted to observed spectra; rotational parameters are derived from this fit for the two 3Π states.     

Research on the variable speed system of large power alternating current motor

The development status of the variable speed system of large power AC(alternating current)motor drive in China is introduced.The large power AC drive fed by AC-AC converters(cycloconverters)has developed greatly,and some innovations on the theory and engineering technique have been realized.They have been applied to rolling mills,mine hoists,and so on,and remarkable economic and social benefit has been achieved.The development of AC drive fed by large power IGCT(integrated gate commutated thyristors)AC-DC-AC converter is also introduced.It has excellent performance and reliable operation,and has been used in traction.     

Synthesis, characterization and properties of ruthenium-substituted polyoxometallic acid H_6Ru(H_2O)FeW_(11)O_(39)·18H_2O with Keggin structure

The ruthenium-substituted polyoxometallic acid H6 [Ru(H2O)FeW 11O39 ]·18H2O was synthesized by stepwise acidification and stepwise addition of solutions of the component elements, and an ion-exchange-cooling method. The product was characterized using inductively coupled plasma spectrometry (ICP), Infrared Spectroscopy (IR), Ultraviolet Spectroscopy (UV), and X-ray diffraction (XRD). The results show that this complex has the Keggin structure. The determination of the thermal stability and proton conductivi...     

Nucleation and growth kinetics of La_(0.7)Sr_(0.3)Cr_(0.4)Mn_(0.6)O_(3-δ) SOFC perovskite:Symmetry alteration evolution induced by Cu~(2+) and Ni~(2+) impregnation

La_(0.7)Sr_(0.3)Cr_(0.4)Mn_(0.6)O_(3-δ) perovskite nanoparticles have been synthetized using an ethylene glycol modified solgel method and impregnated by Cu_(0.75)Ni_(0.25) nanoparticles. The phase transitions and nucleation kinetics were studied by time resolved x-ray diffraction, Rietveld, Raman spectroscopy and high resolution transmission electron microscopy. Findings have shown that, an atomic disorder dominates from room temperature to 400 °C. Nanoparticles with crystal size 26 nm start through nuclei formation of La_(0.7)Sr_(0.3)Cr_(0.4)Mn_(0.6)O_(3-δ) and SrCrO_4 solid solutions with Pm3m cubic and P2_1/n monoclinic symmetry respectively in the range of 600–650 °C. Symmetry reduction from the Pm3m→R3c space group had been obtained at a lower temperature(750 °C) than those reported in the literature in oxygen atmosphere and it was confirmed by an octahedral distortion, which takes place in the crystallographic direction[221]/(122). The Johnson-Mehl-Avrami model had described the whole process, where the existence of two phases was shown before it reached its complete D_(3d)~6 point group symmetry.     

Electrooxidation of Mn(Ⅱ) on Pb-Sb-As Electrode in Sulfuric Acid

The electrooxidation of Mn(Ⅱ) on Pb-Sb-As alloy electrode in sulfuric acid has been investigated.In order to make the two steps of indirect electrosynthesis of benzaldehyde carried out in the same sulfuric acid concentration and also obtain high current efficiency of Mn(Ⅱ) to Mn(Ⅲ) and high yield of Mn(Ⅲ) oxidizing toluene to benzaldehyde in the mean time,the electrooxidation of Mn(Ⅱ) in 60% H2SO4 has been studied.Experimental results show that high current efficiency of Mn(Ⅲ) (about 75%) is obtained in 60%H2SO4 at 60℃.The reason affecting the current efficiency of Mn(Ⅲ) is discussed,and it is the coordination of sulfuric acid concentration and electrolytic temperature.The law is found that it is suitable for electrolysis at low temperature when sulfuric acid concentration is low and at high temperature when sulfuric acid concentration is high.     

Synthesis and Characterization of Quaternary Complexes [Ln(CH_2=C(CH_3)-COO)_2(NO_3)(phen)]_2

Many trinary lanthanide complexes have been studied. However, few mixed anion complexes with bidentate heterocyclic amines were synthesized. Mixed anion complexes [Ln (CH2=C(CH3)-COO)2(NO3)(phen)]2 was synthesized and its properties were determined by elemental analyses, IR and TGA. The IR spectra analysis indicate that NO3- , CH2=C(CH3)-COO- and Phen are coordinated with Ln. And the fluorescent spectra of [Eu(CH2=C(CH3)-COO)2(NO3)(phen)]2 and 1H NMR spectra of [La(CH2=C(CH3)-COO)2 (NO3)(phen)]2 was determined respectively.     

Two forms of the membrane-bound state of the first C2 domain (C2A) of synaptotagminⅠand calcium-triggered membrane insertion

The synaptic vesicle protein synaptotagmin I(syt I) is a vesicle transmembrane protein present in synaptic vesicles, which has been proposed as the Ca^2 sensor that regulates secretion. The C2A domain is the membrane proximal part of its cytoplasmic domain. The interaction between C2A and lipid bilayer has been considered to be essential for triggering neurotransmitter release. In the present work, the measurements of membrane surface tension and surface concentration showed that the C2A domain of syt I exhibited two membrane-bound states: the surface adsorption state and the membrane insertion state. The surface absorption state formed in a Ca2~-independent manner with lower affinity, while the membrane insertion state formed with high affinity was only found in the presence of Ca^2 . Both the Ca^2 -independent and Ca^2 -dependent syt I membrane interactions required anionic phospholipids, such as phosphatidylserine (PS). When expressed into rat pheo-chromocytoma (PC12) cells and human embryonic kidney (HEK-293) cells, as demonstrated by immunofluorescence staining and subcellular fractionation, most of the C2A was found at the plasma membrane, even when the cells weredepleted of Ca^2 by incubation with EGTA. These resultssuggested a new molecular mechanism of syt I as a Ca^2 sensor in membrane fusion. Ca^2 -independent surface adsorption might attach syt I to the release site during the docking or priming step. When intracellular Ca^2 increased,syt I triggered the neurotransmitter release following the Ca^2 -dependent penetration into the target membrane.     

Molecular self-assembly behavior of mono[6-O-6-(4-carboxyl-phenyl)]-β-CD in solution and solid state

A novel modified cyclodextrin, mono[6-O-6-(4-carboxyl-phenyl)]-]-β-CD (1), has been synthesized by the reaction of mono[6-(p-toluenesulfonyl)]-β-CD with 4-hydroxybenzoate, and its molecular self-assembly behavior in both solution and solid state was studied by means of crystallography, NMR spectroscopy and microcalorimetry. The results indicate that the bezoic acid groups are successively penetrated intermolecularly into the adjacent β-CD cavities to form helical columnar supramolecules in the solid state. As compared with crystal, the similar self-assembly behavior of 1 in aqueous solution has also been confirmed by the ^1H ROESY spectroscopy. Thermodynamically, the formation of polymeric supramolecules by modified CD in aqueous solution is mainly driven by entropy changes.     

回归点集为闭集的线段连续自映射的周期点的周期(英文)

Let I be an interval (i. e., a connected subset of the real line), and f:I→J be continouos. The sets of periodic points, recurrent points and nonwandering points of f are denoted by p(f), R(f) and Ω(f) respectively. In [1], [2] and [3] i has been proved that if the set P(f) is closed, then the period of each periodic point of f is a power of 2. This result is improved by the following theorem.     

Morphology-controllable solvothermal synthesis of nanoscale LiFePO4 in a binary solvent

LiFePO4(LFP) nanobars,microplates and nanorods have been selectively synthesized via a solvothermal method in a water-ethylene glycol(EG) binary solvent with H3PO4,LiOH·H2O,and FeSO4·7H2O as starting materials.The morphology and size of the as-obtained LFP products can be deliberately controlled by varying the volume ratio of EG to water.The formation mechanism and electrochemical properties of different LFP morphologies have been investigated.With carbon coating,the Li-ion diffusion coefficients of LFP nanorods,nanobars and micro-plates are 2.58×10-9,2.91×10-10,and 7.22×10-10 cm2 s-1,respectively.For the carbon-coated nanorods,excellent rate capability and cyclability were attained.At 5 C,the capacity was 141 mAh g-1 for the first cycle and maintained 120 mAh g-1 after 100 cycles;at 10 C,the capacity was still as high as 132 mAh g-1.