Synthesis of Imidazole Cyclophane as Ligand of Binuclear Metalloprotein Models

Four imidazole cyclophanes have been synthesized by the oxidation of bis-imidazoline with barium manganate followed by cyclization with 2,6-bis(bromomethyl) pyridine in the presence of NaH. All the compounds were identified by IR, (HNMR)-H-1, MS and elemental analysis.

Modeling Gross Primary Production by Integrating Satellite Data and Coordinated Flux Measurements in Arid and Semi-Arid China

Assessing large-scale patterns of gross primary production (GPP) in arid and semi-arid (ASA) areas is important for both scientific and practical purposes.Remote sensing-based models,which integrate satellite data with input from ground-based meteorological measurements and vegetation characteristics,improve spatially extended estimates of vegetation productivity with high accuracy.In this study,the authors simulated GPP in ASA areas by integrating moderate resolution imaging spectral radiometer (MODIS) data with eddy covariance and meteorological measurements at the flux tower sites using the Vegetation Photosynthesis Model (VPM),which is a remote sensing-based model for analyzing the spatial pattern of GPP in different land cover types.The field data were collected by coordinating observations at nine stations in 2008.The results indicate that in the region during the growing season GPP was highest in cropland sites,second highest in woodland sites,and lowest in grassland sites.VPM captured the temporal and spatial characteristics of GPP for different land covers in ASA areas.Further,Enhanced Vegetation Index (EVI) had a strong liner relationship with GPP in densely vegetated areas,while the Normalized Difference Vegetation Index (NDVI) had a strong liner relationship with GPP over less dense vegetation.This study demonstrates the potential of satellite-driven models for scaling-up GPP,which is a key component for studying the carbon cycle at regional and global scales.

Characterization of the adsorption behavior of aqueous cadmium on nanozero-valent iron based on orthogonal experiment and surface complexation modeling

Polyvinylpyrrolidone K-30(PVP) was introduced into the preparation of nanozero-valent iron(n ZVI) and the traditional liquid-phase reduction was improved. The introduction of PVP simplified the traditional method.The n ZVI prepared with this new approach showed excellent surface characters and high performance on the removal of cadmium. TEM results showed that the aggregates of n ZVI can reach to several micrometers in length but less than 100 nm in diameter. The iron particles that were enclosed by a layer of oxide film that is less than10 nm, demonstrated that the n ZVI possesses a core–shell structure. BET results indicate that the specific surface area of the n ZVI was 20.3159 m^2g^(-1). A three factor and three level orthogonal experiment was employed to find out the dominant factor that affects the removal rate of cadmium by n ZVI. Based on the range values, the prominence order of each factor was: initial p H of the solution N initial concentration of cadmium N dosage of n ZVI, the range was 96.453, 3.294 and 1.747, respectively. A simulation was performed under the same condition and a same conclusion was derived, this consistence confirmed the validity of the conclusion that p H is the most significant factor that affects the adsorption efficiency.

Synthesis of a trimeric lignin model compound composed of a-O-4 and b-O-4 linkages under microwave irradiation

A trimeric lignin model compound composed of α-O-4 and β-O-4 linkages was prepared by the microwave-assisted synthesis, which consisted of three steps： （a） the synthesis of 3-methoxy-4- benzyloxyacetophenone （2） from acetovanillone （1）, （b） the bromination of compound 2 to produce 3- methoxy-4-benzyloxy-α-bromoacetophenone （3）, and （c） followed by a nucleophilic substitution of compound （3） to obtain 3-methoxy-4-benzyloxy-α-（3-methoxy-4-（1-propenyl）phenol）-acetophenone （4）. The target product was characterized by MS, 1H NMR and 13C NMR spectroscopy. It was found that the trimeric compound synthesized can be used as a preferable lignin model compound because it contains guaiacyl structural unit （3-methoxy-4-hydroxy phenyl propane） linked by α-O-4 and β-O-4 linkages. In addition, under the conditions of microwave irradiation, the reaction time of each step is significantly reduced, and the selectivity of target product is greatly improved. The yields of each step and the overall sequence are 95.31%. 87.3%. 90.6% and 75.4% （95.31%× 87.3% × 90.6%）. respectively.

Sono-assisted preparation of magnetic ferroferric oxide/graphene oxide nanoparticles and application on dye removal

A simple ultrasound-assisted co-precipitation method was developed to prepare ferroferric oxide/graphene oxide magnetic nanoparticles(Fe_3O_4/CO MNPs).The hysteresis loop of Fe_3O_4/GO MNPs demonstrated that the sample was typical of superparamagnetic material.The samples were characterized by transmission electron microscope,and it is found that the particles are of small size.The Fe_3O_4/GO MNPs were further used as an adsorbent to remove Rhodamine B.The effects of initial pH of the solution,the dosage of adsorbent,temperature,contact time and the presence of interfering dyes on adsorption performance were investigated as well.The adsorption equilibrium and kinetics data were fitted well with the Freundlich isotherm and the pseudosecond-order kinetic model respectively.The adsorption process followed intra-particle diffusion model with more than one process affecting the adsorption of Rhodamine B.And the adsorption process was endothermic in nature.Furthermore,the magnetic composite with a high adsorption capacity of Rhodamine B could be effectively and simply separated using an external magnetic field.And the used particles could be regenerated and recycled easily.The magnetic composite could find potential applications for the removal of dye pollutants.

Synthesis of tetrahydrofolate coenzyme models 1,2-dimethyl-3-m(p)-nitrophenylsulfonyl imidazolinium iodide and their methyl-substituted one carbon unit transfer reactions

Tetrahydrofolate (THF) coenzymes are involved in biochemical transfer of aone-carbon fragment at different oxidation levels. The study of THF models may providea valuable class of reagents for group transfer reactions with practical significance. Onlya few researches about 5, 10-methenyl-THF models have been reported in literature.

A new speech synthesis method based on the LMA vocal tract model

A new speech synthesis algorithm based on the LMA filter in Chinese text-to-speech systern is introduced. Using this method, the system can not only generate speech with higher quality, but also have a more powerful ability to modify the prosodic parameters, which ensures a far more natural and intelligible synthesized speech than ever before. First, the fundamental principles of the LMA filter and the construction of the synthesizer are presented, then, how to modify the acoustic parameters with this synthesizer is described; finally, the quantitative evaluation of the system's performance is shown while compared with a relatively successful PSOLA synthesizer KDTALK_1

A synthesis method based on speech production and articulatory model

A method to synthesize formant targeted sounds based on speech production model and Reflection-Type Line Analog (RTLA) articulatory synthesis model is presented. The synthesis model is implemented with scattering process derived from a RTLA of vocal tract system according to the acoustic mechanism of speech production. The vocal-tract area function which controls the synthesis model is derived from the first three formant trajectories by using the inverse solution of speech production. The proposed method not only gives good naturalness and dynamic smoothness, but also is capable to control or modify speech timbres easily and flexibly. Further and mores it needs less number of control parameters and very low update rate of the parameters.

Realistic face modeling based on multiple deformations

On the basis of the assumption that the human face belongs to a linear class, a multiple-deformation model is proposed to recover face shape from a few points on a single 2D image. Compared to the conventional methods, this study has the following advantages. First, the proposed modified 3D sparse deforming model is a noniterative approach that can compute global translation efficiently and accurately. Subsequently, the overfitting problem can be alleviated based on the proposed multiple deformation model. Finally, by keeping the main features, the texture generated is realistic. The comparison results show that this novel method outperforms the existing methods by using ground truth data and that realistic 3D faces can be recovered efficiently from a single photograph.

Substructuring Technique for Dynamics Analysis of Flexible Beams with Large Deformation

In this paper, the substructuring technique is extended for the dynamics simulation of flexible beams with large deformation. The dynamics equation of a spatial straight beam undergoing large displacement and small deformation is deduced by using the Jourdain variation principle and the model synthesis method. The longitudinal shortening effect due to the transversal deformation is taken into consideration in the dynamics equation. In this way, the geometric stiffening effect, which is also called stress stiffening effect, is accounted for in the dynamics equation. The transfer equation of the flexible beam is obtained by assembling the dynamics equation and the kinematic relationship between the two connection points of the flexible beam. Treating a flexible beam with small deformation as a substructure, one can solve the dynamics of a flexible beam with large deformation by using the substructuring technique and the transfer matrix method. The dynamics simulation of a flexible beam with large deformation is carried out by using the proposed approach and the results are verified by comparing with those obtained from Abaqus software.