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The objective of the present study was to examine the adaptation strategy of Amorphophallus xiei, a shade-demanding species, grown under different levels of light intensity. The responses of leaf to photosynthetic active radiation, CO为了探讨喜阴植物谢君魔芋(

First-principles calculations based on density functional theory have been used to study the surface energies of the rutile TiO2(110) and (011)-2×1 surfaces. We investigate the effect of the slab thickness on the predicted surface energy and find that slab thicknesses of at least 5 layers are necessary to converge the surface energy to within 0.01 J/m2for both rutile TiO2(110) and (011)-2×1 surfaces. For the rutile TiO2(110) surface, it should be noted that the surface energy oscillates with the number of layers (odd-even oscillations). However, the calculated surface energies of the rutile TiO2(011)-2×1 surface are closer to the linear relationship for the number of layers larger than 4. Finally, our calculated results indicate that the rutile TiO2(011)-2×1 surface has a significantly higher surface energy than the rutile TiO2(110) surface.

Thiourea-modified ZnO nanoparticles were prepared by the microwave-assisted method. The nanoparticles were characterized by X-ray diffraction (XRD), High-resolution transmission electron microscope (TEM), UV-Vis absorption spectroscopy (UV-Vis) and X-ray photoelectron spectroscopy (XPS). ZnO nanoparticles presented typical wurtzite structure. Microwave-assisted method and thiourea modifying reduced the particle size of ZnO corporately and the particle size of 2.0 mol% thiourea/ZnO was about 3 nm. The photocatalytic efficiency of thiourea-modified ZnO was influenced by the molar precent between thiourea and ZnO and 2.0 mol% thiourea/ZnO had the highest photocatalytic activity. The degradation rate of 30 mg/L C.I. Reactive Blue 4 could get to 85% in 50 min at room temperature when the concentration of 2.0 mol% thiourea/ZnO was 0.10 g/L.

Quantum-sized TiO2 had been prepared by using Ti(n-OC4H9)4 as the raw material via a microwave-assisted sol-gel method. The influence of different processing temperature and time on the size of TiO2 was researched. The TiO2 was characterized by transmission electron microscopy (TEM) and X-ray diffraction analysis (XRD). The prepared TiO2 presents anatase phase structure by TEM and XRD. The photocatalytic activity of TiO2 was evaluated by the degradation rate of methyl orange in aqueous solution. The particle size of TiO2 was about 9.10 nm when the processing temperature was 160°C and the processing time was 90 min (160°C-90min), and the photocatalytic performance was the best under this size. When the initial concentration of methyl orange was 10 mg/L and the amount of quantum-sized TiO2 was 0.6 g/L, the degradation rate of methyl orange under ultraviolet and solar irradiation at room temperature in 60 min were 40% and 86%, respectively.

ZnO was prepared using zinc acetate dehydrate (Zn(CH3COO)2·2H2O) and lithium hydroxide monohydrate (LiOH·H2O) as raw material through a microwave-assisted sol-gel method. The prepared ZnO presents the wurtzite structure. The influence of different reaction temperature and heating time to the size of ZnO was researched. The photocatalytic activity of ZnO was evaluated by the degradation rate of C.I. Reactive Blue 4 in aqueous solution. The particle size of ZnO is about 4.33 nm at the reaction condition of 50°C for 10 min and the photocatalytic performance is the best. The degradation rate of C.I. Reactive Blue 4 could exceed 75% in 30 min at room temperature when the initial concentration of C.I. Reactive Blue 4 was 40 mg/L and the concentration of the quantum-sized ZnO was 0.1 g/L.

Investigation of equilibrium geometries, total energies, harmonic vibrational frequencies, and nucleus-independent chemical shifts (NICS) of the low-lying states for the planar quadrilateral CN2O2− dianion, alkali metal MCN2O− (M = Li, Na, K, Rb, and Cs) clusters, and alkali earth metal MCN2O (M = Be, Mg, Ca, Sr, and Ba) clusters were done with two density functional theory (DFT) methods. The calculations reveal that the planar quadrilateral CN2O2− dianion can coordinate with metal atoms to form the pyramidal MCN2O− and MCN2O complexes maintaining the planar quadrilateral CN2O2− dianion structure. From structural and electronic criteria, the presence of six delocalized π electrons (satisfying the 4n + 2 electron counting rule), and maintaining its structural and electronic integrity inside the MCN2O− and MCN2O clusters confirm that the planar quadrilateral CN2O2− dianion exhibits characteristics of π-aromaticity.

Tridentate Schiff base ligands L1 and L2, derived from the condensation of 2-hydroxy-3-methoxybenzaldehyde (L) with 2-aminoethanol or 2-aminobutan-1-ol, react with nickel chloride, azide, or thiocyanate to give rise to two dinuclear complexes of formulas [Ni2(L)(L1)2N3]·H2O (1), [Ni2(L2)3(μ1,1-N3)]·2H2O (2), and one tretranuclear complex [Ni2(L2)2(NCS)]2(C2H5OH)2 (3), where L1 = HOCH2CH(C2H5)NCHC6H3(O−)(OCH3) and L2 = HO(CH2)2NCHC6H3(O−)(OCH3). We have characterized these complexes by analytical, crystal structures, and variable temperature magnetic susceptibility measurements. The magnetic properties of the complexes are studied by magnetic susceptibility (χM) vs. temperature measurements. The χM T vs. T plots reveal that compounds 1, 2 and 3 are ferromagnetically coupled. Crystal of two dimers and one tetranuclear nickel (II) complexes were determined. Two dimers are azide/phenolate double bridged, and the tetranuclear is Ni4O4 cubane complex. And magnetic properties show that these compounds are ferromagnetically coupled.

Geometrical structure, aromaticity and other properties of C 2 N 2 − , M(C 2 N 2 ) (M = Li, Na, K) and [N(C 2 N 2 )] + (N = Be, Mg, Ca) species are theoretically investigated with density functional theory (DFT) methods. Calculation results show that for C 2 N 2 − species, the planar structure with D 2h symmetry is the global minimum at the B3LYP/6-311+G* level. Natural bond orbital (NBO) analysis indicates the existence of delocalization in the most stable C 2 N 2 − species and its planar complexes. Nucleus-independent chemical shift (NICS) and molecular orbital (MO) analysis further reveal that that planar M(C 2 N 2 ) and [N(C 2 N 2 )] + species preserve the aromatic nature of the most stable C 2 N 2 − unit.

The equilibrium geometries, total energies, and vibrational frequencies of anions X2Y2 − (X = C, Si, Ge and Y = N, P, As) are theoretically investigated with density functional theory (DFT) method. Our calculation shows that for C2N2 − species, the D 2h isomer is the most stable four-membered structure, and for other species the C 2v isomer in which two X atoms are contrapuntal is the most stable structure at the B3LYP/6-311 +G* level. Wiberg bond index (WBI) and negative nucleus-independent chemical shift (NICS) value indicate the existence of delocalization in stable X2Y2 − structures. A detailed molecular orbital (MO) analysis further reveals that stable isomers of these species have strongly aromatic character, which strengthens the structural stability and makes them closely connected with the concept of aromaticity.

The equilibrium geometries, total energies and harmonic vibrational frequencies of planar low-lying states for Si 2 BX (X = Li, K, O, S) species are investigated at B3LYP/6-311+G ∗ and B3PW91/6-311+G ∗ levels. The research results show that for Si 2 BLi, Si 2 BK and Si 2 BS species, the C 2 v isomer is the most stable planar structure, and for Si 2 BO species, the C s isomer is the most stable planar structure. Negative nucleus independent chemical shift (NICS) values indicate the existence of aromaticity in planar structures for these species. A detailed molecular orbital (MO) analysis further reveals that a delocalized π MO for two isomers of Si 2 BX (X = Li, K, O, S) strengthens the structural stability and make these species show strongly aromatic character.

Clusters XSi 2 Y (X = Al, Ga and Y = P, As) are theoretically investigated using density functional theory (DFT) methods at the B3LYP/6-311+G* and B3PW91/6-311+G* levels of theory. The calculated results showed that for AlSi 2 P AlSi 2 As and PSi 2 Ga species, the C 2 v isomer is the ground state, respectively, whereas for GaSi 2 As species, the C s isomer is the ground state. The wiberg bond index (WBI) suggested the existence of delocalization. Negative nucleus-independent chemical shift (NICS) values indicated that a strong ring current exists in two isomers of those species. A detailed molecular orbital (MO) analysis further revealed that two isomers of these species have π aromaticity, and the two delocalized π electrons does agree well with the (4 n + 2) Huckel rule, which is closely connected with the concept of the aromaticity.

Unsupported manganese oxide catalysts with amorphous phase were prepared by three methods, and their activities for SCR of NOx with ammonia were investigated in the presence of O2. The results showed the catalysts have superior low temperature activity, and the NOx conversion is about 98% at 80 °C, and nearly 100% NOx conversion between 100 and 150 °C. Due to competing adsorption with the reactant, H2O has slight impact on the activity. The activity was suppressed with coexisting of SO2, however the deactivation of SO2 is reversible. The excellent low temperature catalytic activity of amorphous MnOx catalysts is mainly due to their amorphous phase and high specific areas.

Geometrical structures, electronic structures, and vibrational frequencies of alkali metal MAs5 (M=Li, Na, K, Rb, and Cs) clusters and alkali earth metal MAs 5 + (M=Be, Mg, Ca, Sr, and Ba) clusters were investigated with density functional theory (DFT) methods. Calculation results showed that the planar pentagonal As 5 − anion could coordinate with metal atoms to form the pyramidal MAs5 and MAs 5 + complexes maintaining the planar pentagonal As 5 − anion structure. Structural and electronic criteria, the presence of six delocalized π electrons (satisfying the 4n+2 electron counting rule), and maintaining its structural and electronic integrity inside the MAs5 and MAs 5 + clusters confirmed that the planar pentagonal As 5 − anion exhibited characteristics of π aromaticity.

Geometries, electronic structures and vibrational frequencies of alkali metal– P 7 3 - compounds MP 7 2 - (M = Li, Na, K, Rb, and Cs) were examined using density functional theory (DFT) methods. To our knowledge, these compounds are first reported here. Calculation results show that regular heptagonal P 7 3 - trianion can coordinate with alkali metal atoms to form the pyramidal structures MP 7 2 - species that maintain the planar cyclo - P 7 3 - trianion structure. On the basis of the molecular orbital (MO) analysis and nucleus-independent chemical shifts (NICS) analysis, we revealed that regular heptagonal P 7 3 - trianion exhibits characteristic of π aromaticity with 10 delocalized π electrons and maintains its structural and electronic integrity inside the pyramidal MP 7 2 - (M = Li, Na, K, Rb, and Cs) clusters.

The structure and stability of Be6, Be, and Be clusters have been investigated at the B3LYP, B3PW91, and second-order Moller–Plesset (MP2) levels of theory, along with the 6-311G* basis set for neutral and cationic clusters and the 6-311+G* basis set for anion clusters. CCSD(T)/6-311+G* has also been used to calculate some neutral structure to find the most stable structure. Twelve Be6, six Be, and eight Be isomers are identified. The distortion octahedron structure, pentagonal pyramids structure, and trapezoidal bipyramid structure are found to be the most stable structure on the neutral, cationic, and anionic surface, respectively. They are in agreement with the results reported previously. Natural bond orbital (NBO) analysis, molecular orbital (MO) pictures, and the nucleus independent chemical shift (NICS) values suggest aromatic of the neutral and cationic clusters and antiaromatic of the anionic cluster. The multi-center σ bonds and delocalized π bonds play important role in the bonding of the beryllium clusters. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007

Geometrical structures, electronic structures, and vibrational frequencies of alkali metal MAs 4 − (M=Li, Na, K, Rb, and Cs) clusters and alkali earth metal MAs4 (M=Be, Mg, Ca, Sr, and Ba) clusters were investigated with density functional theory (DFT) methods. Calculation results show that the square As 4 2 − dianion can coordinate with metal atoms to form the pyramidal MAs 4 − and MAs4 complexes maintaining the square As 4 2 − dianion structure. Structural and electronic criteria, the presence of six delocalized π electrons (satisfying the 4n+2 electron counting rule), and maintaining its structural and electronic integrity inside the MAs 4 − and MAs4 clusters confirmed that the square planar As 4 2 − dianion exhibits characteristics of π-aromaticity.

Geometries, electronic structures and vibrational frequencies of alkali metal- P 5 − P5M (M=Li, Na, and K) clusters were investigated using density functional theory (DFT) method. Calculation results show that planar P 5 − anion can coordinate with metal atoms to form two kinds of the P5M complexes that maintain the planar cyclo- P 5 − anion structure. Among these, the pyramidal structures of P5M clusters are the most stable isomers. On the basis of the molecular orbital (MO) analysis and nucleus-independent chemical shifts (NICS), we revealed that planar P 5 − anion exhibits characteristic of π-aromaticity with six delocalized π electrons and maintains its structural and electronic integrity inside the two kinds of P5M (M=Li, Na, and K) clusters.

Density functional theory (DFT) method has been used to investigate geometries, electronic structures, and vibrational frequencies of alkali metal P 4 M 2 (M = Li, Na, and K) clusters and alkali earth metal P 4 M (M = Be, Mg, and Ca) clusters. Calculation results show that the square P 4 2 - dianion can coordinate with metal atoms to form the pyramidal P 4 M and the dipyramidal P 4 M 2 complexes maintaining the square P 4 2 - dianion structure. Molecular orbital (MO) analysis revealed that the square planar P 4 2 - dianion exhibits characteristic of π-aromaticity with six delocalized π electrons and maintains its structural and electronic integrity inside the P 4 M 2 and P 4 M clusters.

In addition to four isomers of N 14 cluster previously reported, one new isomer was investigated. The decomposition and isomerization pathways of these five N 14 isomers were studied using the density functional theory (DFT) method. Relative energies were refined at the B3LYP/6-311+G(3df, 2p)//B3LYP/6-31G* level of theory. The present study shows that the decomposition barrier heights for the isomers 1, 2, and 3 are all much lower than 20 kcal/mol, which hints the fact that it may be possible to observe these three isomers only as short-lived species at room temperature. The barrier height for the cis-trans isomerization reaction of the isomers 4 and 5 is about 43.3 kcal/mol at the B3LYP/6-113+G(3df, 2p)//B3LYP/6-31G* level of theory. Unfortunately, however, the decomposition barrier height for the isomer 4 is about 17.9 kcal/mol. For the isomer 5, one barrier height corresponding to the - N 4 side chain breaking to lose the N 2 molecules is about 32.9 kcal/mol, however, the other barrier height corresponding to the - N 5 side chain breaking to lose a N 2 molecule is about 17.1 kcal/mol. From the study presented here, it seems that these five N 14 isomers are not kinetically stable enough to serve as high energy density materials (HEDMs).

Ab initio (MP2) and density functional theory (DFT) methods have been used to examine three isomers of the N15+ cluster with the 6-31G* basis set. The most stable isomer is the trans structure (CS), containing one aromatic N5 ring and two N5 side chains. The decomposition pathways of the three isomers were studied at the B3LYP/6-31G* level of theory. Relative energies were refined at the level of B3LYP/6-311G(3df,2p)//B3LYP/6-31G* + ZPE (B3LYP/6-31G*). The decomposition reactions of the global minimum prefer side-chain fission, with barriers of 9.3 and 12.0 kcal mol−1 for N2 and N5+ (C2v) fission reactions, respectively. The ring breaking reaction has a barrier of 19.4 kcal mol−1. The corresponding side-chain fission barriers for the second structure (C2v), which is a cis isomer, are predicted to be 9.3 kcal mol−1 and 12.1 kcal mol−1, respectively. The barrier height for breaking the center ring of the three connected N5 rings of the third structure (C2) is predicted to be 8.0 kcal mol−1.

Two new N 8 isomers were investigated by ab initio and density functional theory methods. Structures 6 and 7 were predicted to be local minima on the N 8 potential energy surface at the HF/6-31G ∗ , B3LYP/6-31G ∗ and B3PW91/6-31G ∗ levels. One possible isomerization pathway from structure 6 ( C 2 v ) to structure 7 ( C s ) was studied at the three levels. The optimized transition-state was a four-membered ring structure with C s symmetry. The energetic barrier height with zero point energy correction are 86.8, 74.2, and 75.3 kcal/mol at the HF/6-31G ∗ , B3LYP/6-31G ∗ , and B3PW91/6-31G ∗ levels, respectively.

The electronic and structural properties of three fullerene isomers of C 50 and their derivatives are studied at the HF/3-21G and B3LYP/3-21G levels, respectively. Of the three structures, two have D 5 h symmetry [ D 5 h (I)and D 5 h (II)], and the other has D 3 symmetry. The results of the fully optimized calculations show the D 3 structure and the D 5 h (I) structure are near isoenergetic isomers. Because the D 3 isomer has a bigger HOMO–LUMO energy gap than the D 5 h (I) isomer, the D 3 structure should be the preferable isomer. The D 5 h (I) structure is an unstable isomer. The energies and properties of negative and positive ions of the three C 50 isomers are also investigated. Generally, the stability of negative ions is better than that of positive ions. The hydrogenated C 50 molecules for the three isomers have also been studied, and the most active carbon atom sites for adding hydrogen are predicted for each isomer.

Ab initio molecular orbital calculations for N9, N−9 and N+9 isomers were carried out at the HF/ 6-31G*, B3PW91/6-31G*, B3LYP/6-31G* and MP2/ 6-31G* levels of theory. Stable equilibrium geometric structures were determined by harmonic vibrational frequency analyses at the HF/6-31G*, B3PW91/6-31G* and B3LYP/6-31G* levels of theory. The most stable free-radical N9 cluster is structure 1 with C2v symmetry and that of anion N−9 is structure 3 with Cs symmetry. Only one stable structure of the N+9 cation with C2v symmetry was predicted. Their potential application as high-energy-density materials has been examined.

A density functional theory study was carried out on the structures and harmonic vibrational frequencies of the low-lying states of CrO2 using several density functional methods with various basis sets of different quality including all-electron basis sets (3-21G and 6-311+G*) and effective core potentials ones. At all levels of calculations employed, the inserted dioxide with 3B1 state in C2v symmetry is found to be the most stable. Other low-lying stable states with possible side-on, end-on and inserted structures were also located on the potential energy surface of CrO2. The results obtained here are in fair agreement with experimental data, when available, and serve as predictions otherwise.

In view of the growing interest in endohedral lanthanide fullerenes, Ce, as a typical +4 oxidation state lanthanide element, has been systematically studied. The synthesis, extraction and electronic structure of Ce@C-2n are investigated. Soot containing Ce@C-2n was synthesized in high yield by carbonizing CeO2-containing graphite rods and are back-burning the CeC2-enriched cathode deposit in a DC are plasma apparatus. Ce@C-2n, dominated by Ce@C-82, can be efficiently extracted from the insoluble part of the soot after toluene Soxhlet extraction by pyridine at high temperature and high pressure in a closed vessel. About 60% Ce@C-2n (2n = 82,80,78,76) and 35% Ce@C-82 can be enriched in the pyridine extract. This fact is identified by desorption electron impact mass spectrometry (DEI MS). The electronic structure of Ce@C-2n is analyzed by using X-ray photoemission spectroscopy (XPS) of pyridine-free film. It is suggested that the encapsulated Ce atom is in a charge state close to +3 and was effectively protected from reaction with water and oxygen by the enclosing fullerene cage. Unlike theoretical expectation, the electronic state of Ce@C-82 is formally described as Ce+3@C-82(3-). (C) 1997 Elsevier Science Ltd.

A higher yield synthesis for lanthanofullerenes has been studied by activating the La2O3 containing graphite rod in situ and back-burning the graphite-rich cathode deposit. La@C-2n are efficiently extracted by high temperature toluene (180 degrees C) in a closed vessel, in which a new species La@C-74 is added to the members of the soluble lanthanofullerenes. The toluene extraction is first characterized by desorption electron impact mass spectrometry. The influence of anode components on synthesis is also analyzed by the XRD technique. Furthermore, the EPR spectra change with temperature are also studied. The assignment of octet II peaks in EPR is also discussed.

Polyvinyl alcohol (PVA), polyethylene (PE) and ethylene-vinyl acetate copolymer (EVA) film was prepared. The optic capability, infrared transmittance and heat preservation capability of the films were studied respectively. The result indicated that the haze degree of the PVA film decreased about 15% and 12% than PE film and EVA film; PVA film transmittance of IR was more or less than other films in the 7-14 microm wavelength range so that the temperature of greenhouse could be increased effectively in daylight. It was just 16.2% about 20% less than EVA film, and 50% less than PE film. The PVA film could be used as agricultural film in greenhouse to promote heat preservation performance greatly.

In order to solve the problem of the hamonic in the Micro Power system which made up of distributed power that generate by clean energy, we use the Sinusoidal Pulse Width Modulation algorithm. [1]The single-phase photovoltaic system which described in this article is a sort of Micro Power, and it use solar power to generate energy that achieve a goal of saving energy. Sinusoidal Pulse Width Modulation algorithm method is the core algorithm of the single-phase PV systems, which use high-frequency pulse to achieve DC-AC conversion by control the inverter. In this paper, I use DSP to generate the high-frequency pulse to achieve this algorithm. [2]The result shows that the output has good characteristics of sine wave, and it has little harmonic, so the output can be fully integrated into the grid. Therefore, the Sinusoidal Pulse Width Modulation algorithm solves the problem of the harmonic.

To solve the fire evacuation problem, which is special and complex, we established a fire evacuation system and combined it with the shortest path algorithm. By building this system, which was designed to finish the function of the emergency evacuation and daily monitoring, the blindness, retard, uncertainty can be eliminated efficiently. Foremost, the idea of how to use the shortest path algorithm in calculating the evacuation path has been proposed in this paper. We compared the performances of the shortest path algorithms, and found that the Dijkstra algorithm is more suitable for this system. Considering the complexity of the fire, we combined the Dijkstra algorithm and some vital elements together, which effectively solved the problem of searching safe and fast evacuation paths in this system. Finally, we used the software platform connecting with the hardware device to show the real procession of evacuation paths, and the high-performance of this modified algorithm solved the fire evacuation problem indeed.

In order to solve the problem that the security protocol of SCPS-SP uses relatively simple security services in CCSDS space communications, which cannot provide traffic analysis and protection, we analyzed the current space communication security protocol, combining the situation of the increasing communication bandwidth. Finally, we designed the multi-level self-adaptive space communication security protocol with self adaption, and also presented space communications protocol for security tunnels. After introducing these protocols respectively from the situation for application and data units of protocol, we conducted a preliminary definition of SA's secure attributes, which are the basis for space communications security protocols. This security protocol efficiently approaches the demands of space communication protections in different application schemes, realizing the optimization of the multi-level information security control and efficiency for protections, which also contains the function of the flow rate analysis.

EVOH, PE and EVA films were prepared by extrusive blowing techniques, the optic capability, transmittance, haze, infrared anti-transmittance and heat preservation of the films were studied by IR spectroscopy and optic block. The result indicated that the haze degree of the EVOH film decreased about 10% and 5% compared to PE film and EVA film respectively, EVOH film's transmission of IR is much less than other films in the 2.5-25 microm wavelength range, it is just 9.03% in 7-14 microm wavelength range, and about 27% less than EVA film, while much less than PE film. It was found that EVOH film has much better capability of infrared anti-transmittance and point-blank light transmission than other two kinds of films. It was good for calefaction and heat preservation of greenhouse.

Three novel Mn(III) polymers, [Mn(phox)(2)(N(3))](n) (1), [Mn(Etphox)(2)(N(3))](n) (2), and [Mn(Etphox)(2)(C(2)N(3))](n) (3), using achiral ligand Hphox (Hphox = 2-(4,5-dihydrooxazol-2-yl)phenol) and chiral ligand HEtphox (HEtphox = 2-(4-ethyl-4,5-dihydrooxazol-2-yl)phenol) were synthesized and structurally and magnetically characterized. All complexes are of 1D chain structures and form 2D frameworks by weak interactions. The adjacent 1D chains of complex 1 are connected by face-to-face pi-pi interactions, C-H...pi interactions, and hydrogen bonding, which leads to the formation of a supramolecular 2D sheet structure. The three compounds show antiferromagnetic coupling between Mn(III) ions. And compound 2 is a spin-canted weak ferromagnet with T(N) = 5.6 K, showing metamagnetic behavior with a two-step magnetic phase transition.

To evaluate the safety and immunogenicity of the Bilive(TM) combined hepatitis A and hepatitis B vaccine in healthy children.A total of 116 healthy children aged 1 - 10 years, who, without history of hepatitis A vaccine vaccination and anti-HAV negative, had completed the full immunization of hepatitis B vaccine were recruited in city of Changzhou in Jiangsu province. The Bilive(TM) combined hepatitis A and hepatitis B vaccine was administered according to a two-dose schedule (0, 6 months). The dosage was 250 U for hepatitis A antigen and 5 microg for hepatitis B surface antigen. The potential adverse effects were observed within 72 hours after vaccination. The serum samples were collected for the testing of anti-HAV and anti-HBs at month 1, 6 and 7 after initial dose.The local and systemic adverse reactions after immunization were slight and temporary. The rates of local and systemic adverse reactions were 12.1% (14/116) and 6.0% (7/116). The sero-conversion rates of HAV were from 92.9% (92/99) to 100.0% (101/101) and the geometric mean titers (GMT) ranged from 47.0 mIU/ml to 2762.3 mIU/ml 1, 6, 7 months after initial dose. The sero-protection rate of HBV was 86.1% (87/101) before vaccination and came up to 100.0% (101/101) one month after initial dose, and the GMTs of HBV were from 894.3 mIU/ml to 3314.3 mIU/ml 1, 6, 7 months after initial dose.The Bilive(TM) combined hepatitis A and hepatitis B vaccine has good safety and immunogenicity in healthy children who had preexisting immunity to hepatitis B virus.

To evaluate the immunogenicity, safety, stability and consistency of three consecutive lots of an inactivated hepatitis A vaccine (Healive).A double-blind, randomized and controlled clinical trial was conducted in healthy volunteers aged from 1 to 8 years. Totally, 400 subjects were enrolled and assigned into four groups, each receiving one of the three lots of Healive or a licensed control vaccine in 0 and 6th month. Safety was assessed through a 30 minutes and three days observation, thereafter. Anti-HAV titers were determined on the 1st, 6th and 7th month after the vaccination.Seroconversion rate of four groups were all 100% by the end of the schedule while GMTs of Healive were 3237.06-3814.14 mIU/ml but were not significantly different. GMT of control vaccine was 1467.49 mIU/ml. Healive and control vaccine were well tolerated with 1%-5% incidence of overall adverse reactions in which most of them were mild and moderate. No severe adverse reaction was reported.The three consecutive lots of Healive were well consistent as indicated by immunogenicity and safety while immunogenicity was better than the vaccine used as control.

Immunization is considered as the most effective way for the prophylaxis of hepatitis A virus (HAV) infection. This study aimed to evaluate the immunogenicity and safety of three consecutive lots of a new preservative-free inactivated hepatitis A vaccine (Healive) in healthy children. A double-blind, randomized and controlled clinical trial was conducted in healthy volunteers aged from 1 to 8 years. Total 400 subjects were enrolled and assigned into four groups, receiving one of the three lots of Healive or an established control vaccine. The vaccination was two-dose regimen with 6 months apart. Anti-HAV titers were determined at the 1st, 6th and 7th month. The results showed that Healive was highly immunogenic in children with 100% seroconversion rate (SR) and 3237-3814 mIU/ml geometry mean titer (GMT) 1 month after the second dose. The immunogenicity of Healive was statistically higher than that of the control vaccine with respect to GMT and SR (P=0.037 to P0.001). Both Healive and control vaccine were well tolerated with 1-5% incidence of overall adverse reactions (P0.298). Severe adverse reaction was not reported. Both SRs (1, 6 and 7 months) and GMTs (1 and 7 months) in subjects receiving one of the three consecutive lots of Healive had not statistical difference (P=0.114-0.710), suggesting that Healive was well consistent. The immune responses in younger children (1-3 years) and older children (4-8 years) were similar to each other (P=0.187-0.963). The present study indicated that Healive was greatly consistent between production lots, well tolerated and highly immunogenic in children, which made the preservative-free inactivated hepatitis A vaccine well suitable for inclusion in the routine programme of children vaccination.

Nanometer particles composed of manganese oxides (Nano-MnO(x)), which prepared by rheological phase reaction method, show superior low-temperature SCR activity for NO with NH3 in the presence of excess O2. In experiments, the NO conversion is 98.25% at 80 degrees C, and nearly 100% NO could be converted in 100 - 150 degrees C. Due to the reason of competing adsorption, H2O has a slight impact on the activity and the deactivation of SO2 is reversible. The experiments implied that the superior low-temperature catalytic activity of Nano-MnO(x) was mainly due to its high BET specific areas and poor crystallinity.

A new fluorescent functional monomer DMAAN has been designed and synthesized for the first time. The monomer was expected to bind with cytosine via complementary hydrogen bonding under certain experimental conditions. The synthetic procedure of DMAAN is as follows. A suspension of 2,6-diaminopyridine in phosphoric acid was added to acetylacetone. The mixture was warmed for thirty minutes on a steam-bath. Then 2,4-dimethyl-7-amino-1,8-naphthyridine(DMAN, mp 216-218 degrees C) was obtained. DMAAN was prepared by the reaction of DMAN with acryloyl chloride in chloroform and triethylether mixed solvent. Acryloyl chloride in anhydrous chloroform was added dropwise over 30 minutes with constant stirring at 4 degrees C. The melting point of the final product was 239-241 degrees C. Mass spectrometry and proton NMR were used to confirm the chemical structure of DMAN and DMAAN. The products were also characterized by UV and fluorescence spectrometry.

Removal of three water-soluble dyes through biosorption of four fungal strains was investigated. Some key factors affecting the formation of pellets and removal of dye under opening conditions was examined and the possibility of repeated inoculation of pellets was evaluated. The results show that removal of acid brilliant red B by 4 strains was almost 100%; the removal of all three tested dyes by Trichoderma sp. was more than 99%. Trichoderma sp. formed pellets well under opening conditions when its fragmentized mycelium obtained by 3 min grinding pellets at high concentration was inoculated, as 100% removal of acid brilliant red B was achieved by biosorption of newly growing pellets. Repeated inoculation of pellets accelerated dye removal, time for 100% decolorization reduced from first inoculation 72h to third inoculation 12h.

In the title centrosymmetric compound, [Cu(C11H12NO2)2], the coordination geometry of the CuII atom, which is on an inversion centre, is distorted square planar, with a Cu—N distance of 1.9541 (14) and a Cu—O distance of 1.9083 (14) A. The crystal packing is stabilized by π–π inter­actions, with a centroid-to-centroid distance of 3.7953 (12) A, and by C—H⋯π inter­actions.

In the title centrosymmetric compound, [Ni(C11H12NO2)2], the NiII ion is located on an inversion centre in a square-planar coordination geometry, with Ni—N distances of 1.8856 (11) A and Ni—O distances of 1.8484 (10) A. The crystal packing is stabilized by π–π stacking, the centroid-to-centroid distance being 3.748 (1) A. A C—H⋯π inter­action is also observed in the crystal structure.

In the title compound, [Mn(C11H12NO2)2(NCS)], the coordin­ation polyhedron of the MnIII atom has a distorted square-pyramidal geometry, with the two phenolate ligands coordin­ated in the basal plane in trans positions and the thio­cyanate ion coordinated at the apical position.