Photo-induced reactions in the ion-molecule complex Mg+-OCNC2H5

Ion - molecule complexes of magnesium cation with ethyl isocyanate were produced in a laser- ablation supersonic expansion nozzle source. Photo- induced reactions in the 1: 1 complexes have been studied in the spectral range of 230 - 410 nm. Photodissociation mass spectrometry revealed the persistent product Mg+ from nonreactive quenching throughout the entire wavelength range. As for the reactive channels, the photoproducts, Mg+OCN and C2H5+, were produced only in the blue absorption band of the complex with low yields. The action spectrum of Mg+(OCNC2H5) consists of two pronounced peaks on the red and blue sides of the Mg+ 3(2)P <-- 3(2)S atomic transition. The ground state geometry of Mg+ - OCNC2H5 was fully optimized at B3LYP/6- 31 - G** level by using GAUSSIAN 98 package. The calculated absorption spectrum of the complex using the optimized structure of its ground state agrees well with the observed action spectrum. Photofragment branching fractions of the products are almost independent of the photolysis photon energy for the 3P(x,y,z) excitations. The very low branching ratio of reactive products to nonreactive fragment suggests that evaporation is the main relaxation pathway in the photo- induced reactions of Mg+ (OCNC2H5). (C) 2003 American Institute of Physics.

Emergy Assessment of a Wheat-Maize Rotation System with Different Water Assignments in the North China Plain

Sustainable water use is seriously compromised in the North China Plain (NCP) due to the huge water requirements of agriculture, the largest use of water resources. An integrated approach which combines the ecosystem model with emergy analysis is presented to determine the optimum quantity of irrigation for sustainable development in irrigated cropping systems. Since the traditional emergy method pays little attention to the dynamic interaction among components of the ecological system and dynamic emergy accounting is in its infancy, it is hard to evaluate the cropping system in hypothetical situations or in response to specific changes. In order to solve this problem, an ecosystem model (Vegetation Interface Processes (VIP) model) is introduced for emergy analysis to describe the production processes. Some raw data, collected by investigating or observing in conventional emergy analysis, may be calculated by the VIP model in the new approach. To demonstrate the advantage of this new approach, we use it to assess the wheat-maize rotation cropping system at different irrigation levels and derive the optimum quantity of irrigation according to the index of ecosystem sustainable development in NCP. The results show, the optimum quantity of irrigation in this region should be 240-330 mm per year in the wheat system and no irrigation in the maize system, because with this quantity of irrigation the rotation crop system reveals: best efficiency in energy transformation (transformity = 6.05E + 4 sej/J); highest sustainability (renewability = 25%); lowest environmental impact (environmental loading ratio = 3.5) and the greatest sustainability index (Emergy Sustainability Index = 0.47) compared with the system in other irrigation amounts. This study demonstrates that application of the new approach is broader than the conventional emergy analysis and the new approach is helpful in optimizing resources allocation, resource-savings and maintaining agricultural sustainability.

Drivers of soil net nitrogen mineralization in the temperate grasslands in Inner Mongolia, China

Soil net nitrogen mineralization (NNM) of four grasslands across the elevation and precipitation gradients was studied in situ in the upper 0-10 cm soil layer using the resin-core technique in Xilin River basin, Inner Mongolia, China during the growing season of 2006. The primary objectives were to examine variations of NNM among grassland types and the main influencing factors. These grasslands included Stipa baicalensis (SB), Aneulolepidum Chinense (AC), Stipa grandis (SG), and Stipa krylovii (SK) grassland. The results showed that the seasonal variation patterns of NNM were similar among the four grasslands, the rates of NNM and nitrification were highest from June to August, and lowest in September and October during the growing season. The rates of NNM and nitrification were affected significantly by the incubation time, and they were positively correlated with soil organic carbon content, total soil nitrogen (TN) content, soil temperature, and soil water content, but the rates of NNM and nitrification were negatively correlated with available N, and weakly correlated with soil pH and C:N ratio. The sequences of the daily mean rates of NNM and nitrification in the four grasslands during the growing season were AC > SG > SB > SK, and TN content maybe the main affecting factors which can be attributed to the land use type.

Land use and water quality response in the northern region of Changxing County

In this paper, taking the northern region of Changxing County for example, with ammonia nitrogen as a pollution assessment index, we used an improved export coefficient method for estimate polluting load of non-point source pollution (NSP) and the social pollution survey data in the study area to estimate point source pollution. By comparing the total pollution output and the national surface water environmental quality standards find that the whole study area achieves the second water quality standard. However, Jiapu Township exceeds the water quality standards seriously because of the superfluous point source pollution. The water quality of other Townships is good. Further analysis showed that different types of land use and proportions in the northern region of Changxing County have a significant impact on the non-point source pollution, the general law is farmland contributes the largest share of the non-point source pollution output, followed by residential area and bare land, besides, with the increase in the proportion of forest and the decrease of farmland and residential area, the non-point source pollution reduces gradually. © 2010 IEEE.

Interaction between La3+ and MP-11 in the physiological solution

In this paper, the interaction between La3+ and microperoxidase-11 (MP-11) in the imitated physiological solution was investigated with the electrochemical method, circular dichroism (CD) and ultraviolet-visible (UV-vis) absorption spectroscopy. It was found that the interaction ways between La3+ and MP-11 are different with increasing the molar ratio of La3+ and MP-11. When the molar ratio of La3+ and MP-11 is less than 2, La3+ mainly interacts with the metacetonic acid group of the heme group in the MP-11 molecules, causing the increase in the non-planarity of the porphyrin cycle in the heme group and the decrease in the content of the random coil conformation of MP-11. These structural changes would increase the exposure extent of the electrochemical active center of MP-11 and thus, La3+ can promote the electrochemical reaction of MP-11 and its electrocatalytic activity for the reduction of H2O2 at the glassy carbon (GC) electrode. However, when the molar ratio of La3+ and MP-11 is larger than 3, except binding to the carbonyl oxygen of the metacetonic acid group in the heme group, La3+ interacts also with the oxygen-containing groups of the amides in the polypeptide chains of the MP-11 molecules, leading to the increase in the contents of the random coil conformation in the peptide of the MP-11 molecule, comparing with that for the molar ratio of less than 2.

Synthesis and characterization of white-light-emitting polyfluorenes containing orange phosphorescent moieties in the side chain

Two orange phosphorescent iridium complex monomers, 9-hexyl-9-(iridium (III)bis(2-(4'-fluorophenyl)-4-phenylquinoline-N, C-2')(tetradecanedionate-11,13))-2,7-dibromofluorene (Br-PIr) and 9-hexyl-9-(iridium(III)bis(2-(4'-fluorophenyl)-4-methylquinoline-N, C-2')(tetradecanedionate-11,13))-2,7-dibromofluorene (Br-MIr), were successfully synthesized. The Suzuki polycondensation of 2,7-bis(trimethylene boronate)-9,9-dioctylfluorene with 2,7-dibromo-9,9-dioetylfluorene and Br-Plr or Br-MIr afforded two series of copolymers, PIrPFs and MIrPFs, in good yields, in which the concentrations of the phosphorescent moieties were kept small (0.5-3 mol % feed ratio) to realize incomplete energy transfer. The photoluminescence (PL) of the copolymers showed blue- and orange-emission peaks. A white-light-emitting diode with a configuration of indium tin oxide/poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate)/PIr05PF (0.5 mol % feed ratio of Br-PIr)/Ca/Al exhibited a luminous efficiency of 4.49 cd/A and a power efficiency of 2.35 lm/W at 6.0 V with Commission Internationale de L'Eclairage (CIE) coordinates of (0.46, 0.33). The CIE coordinates were improved to (0.34, 0.33) when copolymer MIr10PF (1.0 mol % feed ratio of Br-MIr) was employed as the white-emissive layer. The strong orange emission in the electroluminescence spectra in comparison with PL for these kinds of polymers was attributed to the additional contribution of charge trapping in the phosphorescent dopants.

Selective separation of yttrium by CA-100 in the presence of a complexing agent

The selective separation of Y from yttrium solution containing small heavy rare earth (HRE) impurities (Ho, Er, Tm, Yb, Lu) by liquid-liquid extraction using CA-100 in the presence of a water-soluble complexing agent of ethylenediaminetetraacetic acid (EDTA) was experimentally studied at 298K. Experiments were carried Out in two feeds, Feed-I: [RE](f) = 4.94 x 10(-3) M, Y = 98.5%, HRE (Ho, Er, Tm, Yb, Lu) = 1.5%; Feed-II: [RE](f) = 4.94 x 10(-3) M, Y = 99.9%, HRE (Ho, Er, Tm, Yb, Lu) = 0.1%, as a function of equilibrium pH (pH(eq)), the concentration ratio of [EDTA]:[HRE impurities]. It was shown that the extraction of HRE in the presence of EDTA was suppressed when compared to that of Y because of the masking effect, while the selective extraction of Y was enhanced and the separation factors increased to maximum at appropriate condition for Feed-I: Y/Ho = 1.53, Y/Er = 3.09, Y/Tm = 5.61, Y/Yb = 12.04, Y/Lu = 27.51 at pH 4.37 and [EDTA]:[HRE impurities] = 4: 1, for Feed-II: Y/Ho = 1.32, Y/Er = 1.91, Y/Tm = 2.00, Y/Yb = 3.05, Y/Lu = 3.33 at pH 4.42 and [EDTA]: [HRE impurities] = 8:1. The separation and purification of Y by this method was discussed.

Three-phase extraction study in the Cyanex923-n-heptane/HNO3 system

The present paper reports a study of the extraction of HNO3 with Cyancx923 (C923)-n-heptane. A third phase appears at different aqueous HNO3 concentrations for various initial C923 concentrations. Data analysis indicates that almost all of HNO3 and H2O are extracted into the middle phase. More HNO3 and water at a fixed ratio are solubilized in the reverse micelles or microemulsion in the third phase, which leads to a sharp increase of their concentration. The effect of temperature on the phase behavior of the three-phase system has also been investigated.

Stimulated emission in the film of polymer/dye blend

Optically pumped stimulated emission behavior in an organic film was demonstrated in this study. The gain material consists of a laser dye perylene doped into polystyrene (PS) matrix in an appropriate weight ratio. The sample was transversely pumped by the three harmonic output of a mode-locked Nd:YAG laser. The change of the emission spectra showed a clear threshold action and gain narrowing phenomenon when increasing the excitation intensity. Three emission peaks were observed below the excitation threshold, which are locate at 446, 475 and 506 nm, respectively. However, only the gain narrowing peak centered at 475 nm could be detected above the threshold. The spectra narrowing observed results from the amplified spontaneous emission (ASE) in the gain material. (C) 2000 Elsevier Science S.A. All rights reserved.

Copolymerization of carbon dioxide and propylene oxide with Ln(CCl3COO)(3)-based catalyst: The role of rare-earth compound in the catalytic system

A highly alternative copolymer of carbon dioxide and propylene oxide was obtained using a lanthanide trichloroacetates-based ternary catalyst. The rare-earth compound in the ternary catalyst was critical to dramatically raise the yield and molecular weight of the copolymer in addition to maintaining a high alternating ratio of the copolymer. (C) 2001 John Wiley & Sons, Inc.

The change of Eu3+-surroundings in the system Al2O3-B2O3 containing Eu3+ ions

The change of Eu3+-surroundings with the Al/B ratio varying from 4.5 to 2 and Eu/(Al + B) = 0.02, was investigated through X-ray diffraction, infrared spectra, excitation and emission spectra, and phonon sideband. The results show coexistence of the crystal phase Al18B4O33 and the amorphous phase and Eu3+ ions of the samples with the Al/B ratio from 3 to 2 are incorporated into the amorphous phase. It was also found that electron-phonon coupling strength decreases with the Al/B ratio from 3 to 2, non-radiative decay rate decreases, resulting in an increase of the Eu3+-emission intensity. (C) 1999 Elsevier Science Ltd. All rights reserved.

Interfacial layer and phase inversion behavior in the blend of polyethersulfone and polycarbonate

A blend of polyethersulfone (PES) and polycarbonate (PC) with a ratio of 40/60 was studied by scanning electron microscopy (SEM), dynamic mechanical analysis, and transmission electron microscopy (TEM). It was found that the PES-PC blend is a partially miscible, two-phase system, and an interfacial layer exists between the phases of PES and PC. Specific interaction resulting from the n-complex between PES and PC provides the driving force for formation of the interfacial layer. In addition, phase inversion behavior was also observed for the 40/60 composition.

Relationship between luminescence and matrices in the system Al2O3-B2O3-Ce2O3

The system Al2O3-B2O3-Ce2O3, with Al/B ratio varying from 4.5 to 2 and Ce/(Al + B) = 0.02, has been prepared at the temperature from 1 200 to 1 400 degrees C. Relationship between luminescence and matrices in the system Al2O3-B2O3-Ce2O3 was investigated. It was found that some changes of the matrices occurred with Al/B ratio varying from 4.5 to 2. These results lead to a great change in luminescence properties, indicating variation of Ce-surroundings of crystal field. With the decrease of the ratio from 3 to 2, the excitation and emission peaks shift to shorter wavelengths. it was also found that a new type of rare earth luminescent materials was obtained with appropriate Al/B ratio.

A study of catalysis of copper-aluminium hydrotalcite-like compounds in the phenol hydroxylation

Copper-Aluminium Hydrotalcite-like compounds are synthesized by coprecipitation and characterized with XRD and IR. Catalysis of the above mentioned HTLcs are investigated in the phenol hydroxylation, good results are obtained. Meanwhile, the effects of the ratio of Cu/Al, reaction temperature, reaction medium and pH of reaction system are discussed, The reaction mechanism is also proposed.

ESTIMATION OF THE ONE-PHASE STRUCTURE SEMINVARIANTS IN THE SINGLE ISOMORPHOUS REPLACEMENT CASE - AN APPLICATION OF HAUPTMANS DISTRIBUTION

A method for estimating the one-phase structure seminvariants (OPSSs) having values of 0 or pi has been proposed on the basis of the probabilistic theory of the three-phase structure invariants for a pair of isomorphous structures [Hauptman (1982). Acta Cryst. A38, 289-294]. The test calculations using error-free diffraction data of protein cytochrome c(550) and its PtCl42- derivative show that reliable estimates of a number of the OPSSs can be obtained. The reliability of the estimation increases with the increase of the differences between diffraction intensities of the native protein and its heavy-atom derivative. A means to estimate the parameters of the distribution from the diffraction ratio is suggested.