After dividing the source regions of the Yellow River into 38 sub-basins, thepaper made use of the SWAT model to simulate streamflow with validation and calibration of theobserved yearly and monthly runoff data from t...
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After dividing the source regions of the Yellow River into 38 sub-basins, thepaper made use of the SWAT model to simulate streamflow with validation and calibration of theobserved yearly and monthly runoff data from the Tangnag hydrological station, and simulationresults are satisfactory. Five land-cover scenario models and 24 sets of temperature andprecipitation combinations were established to simulate annual runoff and runoff depth underdifferent scenarios. The simulation shows that with the increasing of vegetation coverage annualrunoff increases and evapotranspiration decreases in the basin. When temperature decreases by 2℃and precipitation increases by 20%, catchment runoff will increase by 39.69%, which is the largestsituation among all scenarios.
A new type of carbon-inorganic absorbent with good oil-removing performance is prepared by sintering and activating petrochemical sludge. Of the absorbents prepared by three different methods (non-activated, vapor /8...
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A new type of carbon-inorganic absorbent with good oil-removing performance is prepared by sintering and activating petrochemical sludge. Of the absorbents prepared by three different methods (non-activated, vapor /840 ℃/6 h, CO2/1 000 ℃/2 h), the one prepared by the second method is the best in oil-removing, which can remove 60% of oil from petrochemical wastewater with a concentration of 76.42 mg/L. X-ray Diffraction (XRD) analysis shows that the constituents of the adsorbents are basically similar to those of inorganic granulating materials, such as SiO2, Al2O3, orthoclase feldspar, iron ore, etc. Composition analysis reveals that the activated absorbent has a large specific surface area with a high carbon content in activated compositions and a good oil-removing capability.
The adsorption behavior of benzoic acid onto a water-compatible hypercrosslinked polymeric adsorbent NJ-8 wascompared with that onto macroporous Amberlite XAN-4. This paper focuses on the static equilibrium adsorption...
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The adsorption behavior of benzoic acid onto a water-compatible hypercrosslinked polymeric adsorbent NJ-8 wascompared with that onto macroporous Amberlite XAN-4. This paper focuses on the static equilibrium adsorption behaviors,the adsorption thermodynamics and the column dynamic adsorption profiles. Five isotherm models are used to fit the *** shows that the Freundlich equation can give a perfect fit. The specific surface area of NJ-8 is about as high as that ofAmberlite XAD-4, but the adsorbing capacity for benzoic acid on NJ-8 is about 14.9%-64.8% higher than that on AmberliteXAD-4, which is attributed to its microporous mechanism and partial polarity. The negative values of the adsorptionenthalpy are indicative of an exothermic process. Both enthalpy and free energy changes of adsorption manifest a physicalsorption process. The negative values of the adsorption entropy indicate that adsorption is well consistent with the restrictedmobilities and the configurations of the adsorbed molecules on the surface of the studied adsorbents with superficialheterogeneity. Both adsorbents were used in mini-column experiments to demonstrate the higher breakthrough adsorbing capacity of the hypercrosslinked polymeric adsorbent NJ-8 to benzoic acid, as compared with that of Amberlite XAD-4.
Dimethylsulfide(DMS) measurements in the surface seawater of China eastern coastline were conducted during March 9—10, 1993 in Bohai Sea along the cruise from Dalian to Tianjin and during September 24—25, 1994 in Ye...
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Dimethylsulfide(DMS) measurements in the surface seawater of China eastern coastline were conducted during March 9—10, 1993 in Bohai Sea along the cruise from Dalian to Tianjin and during September 24—25, 1994 in Yellow Sea along the cruise from Shanghai to Qingdao. On the cruise in Bohai Sea DMS concentrations varied from 0.11 to 2.63 nmol/L with an average of 1.31 nmol/L, while DMS flux was estimated to be 0.85 μmol/(m 2·d) with the range of 0.04—3.12 μmol/(m 2·d). On the cruise in Yellow Sea DMS concentrations varied from 0.95 to 7.48 nmol/L with an average of 2.89 nmol/L, and DMS flux was estimated to be 7.94 μmol/(m 2·d) with the range of 0.11—18.88 μmol/(m 2·d). Variations in DMS concentrations along the latitude in Yellow Sea were observed larger than those along the longitude in Bohai Sea. DMS concentrations and fluxes had a similar spatial trend both in Bohai Sea and Yellow Sea with the correlation coefficients of 0.75 and 0.64, respectively.
Fine particles play an important role in the atmosphere. Research on heterogeneous reactions on the surface of fine particles is one of the frontier areas of atmospheric science. In this paper, physical and chemical c...
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Fine particles play an important role in the atmosphere. Research on heterogeneous reactions on the surface of fine particles is one of the frontier areas of atmospheric science. In this paper, physical and chemical characteristics of fine particles in the atmosphere and the interactions between trace gases and fine particles are described, methods used in heterogeneous reactions research are discussed in detail, progress in the study of heterogeneous reactions on the surface of fine particles in the atmosphere is summarized, existing important questions are pointed out and future research directions are suggested.
Hydrodynamic and water quality model for tidal river network is set up withMIKE11 modeling system, according to the features of tidal river networks in plain area. The modelwas calibrated using the hydrological and wa...
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Hydrodynamic and water quality model for tidal river network is set up withMIKE11 modeling system, according to the features of tidal river networks in plain area. The modelwas calibrated using the hydrological and water quality data of 1999, and the results show that thesimulated values agree with the measured data very well. This model is used to numerically analyzethe effects of low flow augmentation on hydrodynamic and water quality conditions of Suzhou *** simulation results show that the flow augmentation can increase net discharge of Suzhou Creekand improve its ability of re-aeration; and its concentration of dissolved oxygen in the rivernetworks can also increase correspondingly.
Selective inhibition of cyclooxygenase-2 (COX-2) might avoid the side effects of current available nonsteroidal antiinflammatory drugs while retaining their therapeutic efficacy. A novel variable selection and modelin...
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Selective inhibition of cyclooxygenase-2 (COX-2) might avoid the side effects of current available nonsteroidal antiinflammatory drugs while retaining their therapeutic efficacy. A novel variable selection and modeling method based on prediction is developed to construct the quantitative structure-activity relationships (QSAR) between the molecular electronegativity distance vector (MEDV) based on 13 atomic types and the biological activities of a set of selective cyclooxygenase-2 inhibitory molecules,3,4-diarylcycloxazolones (DAA) plus indomethacin,naproxen,and celecoxib. Using multiple linear regression,a 5-variable linear model is developed with the calibrated correlation coefficient of 0.9271 and root mean square error of 0.17 in modeling stage and the validated correlation coefficient of 0.9030 and root mean square error of 0.20 in leave-one-out validation step,respectively. To further test the predictive ability of the model,20 DAA compounds are picked up to construct a training set which is used to build a QSAR model and then the model is employed to predict the biological activities of the balance compounds. The predicted correlation coefficient and root mean square error are 0.9332 and 0.19, respectively.
Chlorinated phenolic compounds are a class of toxic and refractory organic pollutants. The pollution caused by chlorophenols poses serious ecological and environmental problems. A stable bacterial consortium capable o...
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Chlorinated phenolic compounds are a class of toxic and refractory organic pollutants. The pollution caused by chlorophenols poses serious ecological and environmental problems. A stable bacterial consortium capable of reductively dechlorinating trichlorophenol was isolated using chlorophenol as the sole source of carbon and energy. The physiological characteristics of the mixed cultures were studied and the results show that the consortium could use pyruvate as the carbon and energy source. The fermentation of pyruvate, sulfate reduction and dechlorination process proceeded strictly in succession within this consortium. The effect of specific inhibitors on the dechlorinating activity of the consortium was investigated, and the results indicate that sulfate and molybdate (1 mmol/L) have a strong inhibitive influence on the dechlorination activity. Fluo-rescence in situ hybridization (FISH) technique was applied to analyzing the composition of the consortium and the results reveal that one major subpopulation within the consortium was phy-logenetically affiliated to gamma and delta subclass of Proteobacteria.
Holographic QSAR model is constructed to predict relative binding affinities of estradiol derivatives with lamb uterine estrogen receptor. The method does not require the generation of three-dimensional structure of t...
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Holographic QSAR model is constructed to predict relative binding affinities of estradiol derivatives with lamb uterine estrogen receptor. The method does not require the generation of three-dimensional structure of the compounds. The factors that influence the quality of QSAR model are discussed. The result indicates that the model has good predictability and yields a high q2LOO value of 0.897. Compared to other QSAR methods, the HQSAR technique is suitable for use in screening large database of chemicals.
In this work a multi-objective quantitative structure-property relationship (QSPR) analysis approach was reported based on the study on three partition properties of 50 aromatic sulfur-containing carboxylates. Here mu...
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In this work a multi-objective quantitative structure-property relationship (QSPR) analysis approach was reported based on the study on three partition properties of 50 aromatic sulfur-containing carboxylates. Here multi-objectives (properties) were taken as a vector for QSPR modeling. The quantitative correlations for partition properties were developed using a genetic algorithm-based variable-selection approach with quantum chemical descriptors derived from AM1-based calculations. With the QSPR models, the aqueous solubility, octanol/water partition coefficients and reversed-phase HPLC capacity factors of sulfur-containing compounds were estimated and predicted. Using GA-based multivariate linear regression with cross-validation procedure, a set of the most promising descriptors was selected from a pool of 28 quantum chemical semi-empirical descriptors, including steric and electronic types, to integrally build QSPR models. The selected molecular descriptors included the net charges on carboxyl group (Q OC), the 2nd power of net charges on nitrogen atoms (Q 2 N), the net atomic charge on the sulfur atoms (Q S), the van der Waals volume of molecule (V), the most positive net atomic charge on hydrogen atoms (Q H) and the measure of polarity and polarizability (π), which were main factors affecting the distribution processes of the compounds under study. The statistically best QSPR models of six descriptors were simultaneously obtained by GA-based linear regression analysis. With the selected descriptors and the QSPR equations, mechanisms of partition action of the Sulfur-containing carboxylates were able to be investigated and interpreted.
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