Soil acidification and loss of base cations in a subtropical agricultural watershed.

Soil acidification along with base cations loss degrades soil quality and is a major environmental problem, especially in agroecosystems with extensive nitrogen (N) fertilization. So far, the rates of proton (H+) production and real soil acidification (loss of base cations) remain unclear in subtropical agricultural watersheds. To assess the current status and future risk of soil acidification in subtropical red soil region of China, a two-year monitoring was conducted in a typical agricultural watershed with upland, paddy fields, and orchards where high N fertilizers are applied (320 kg N ha-1 yr-1). H+ production, neutralization and base cations losses were quantified based on the inputs (rainwater, inflow of water, and fertilizer) and outputs (outflow of water, groundwater drainage, and plant uptake) of major elements (K+, Ca2+, Na+, Mg2+, Al3+, NH4+, NO3-, SO42-, Cl-, and H+). The result showed that total H+ production in the watershed was 5152 molc ha-1 yr-1. N transformation was the most important H+ source (68%), followed by excess plant uptake of cations (25%) and H+ deposition (7%). Base cations exchange and weathering of minerals (3842 molc ha-1 yr-1) dominated H+ neutralization, followed by SO42- adsorption (1081 molc ha-1 yr-1), while H+ and Al3+ leaching amounted to 431 molc ha-1 yr-1, only. These results state clearly that despite significant soil acidification, the acidification of surface waters is minor, implying that soils have buffered substantially the net H+ addition. As a result of soil buffering, there was abundant loss of base cations, whose rate is significantly higher than the previously reported weathering rate of minerals in red soils (3842 vs 230-1080 molc ha-1 yr-1). This suggests that the pool of exchangeable base cations is being depleted in the watershed, increasing the vulnerability of the watershed, and posing a serious threat to future recovery of soils from acidification.

Iridium-catalyzed ortho-selective carbon-hydrogen amidation of benzamides with sulfonyl azides in ionic liquid.

An efficient and convenient iridium(iii) catalyzed ortho-C-H bond amidation of weakly coordinating benzamides treated with readily available sulfonyl azides as the amino source has been described. In this transformation, ionic liquids represents an ideal reaction medium, giving rise to a broad range of amidation products under mild conditions in the open air. This protocol offers moderate to excellent chemical yields, exclusive regioselectivities, and good functional group tolerance.

[Water sources of dominant sand-binding plants in dry season in southern Horqin Sandy Land, China]. / 科尔沁沙地南缘主要固沙植物旱季水分来源.

It's important to explore the water sources of sand-binding plants and their relationship to reveal the mechanism underling species coexistence and vegetation stability. In the present study, 12 sand-binding species in two typical habitats (fixed dune and dune slack) in southern Horqin Sandy Land were selected. The δD and δ18O values of plant water, rain water, ground water and soil water were determined, and the percentages of soil water at different depths used by plants were calculated with the IsoSource model. Our results showed that the δD and δ18O values of stem water were significantly different among various life forms in both habitats except for those of trees and shrubs in dune slack. From trees to grass, the depth of soil water contributed to main water source of plant became shallower in dune slack: trees and shrubs mainly used soil water in 50-150 cm or 30-50 cm layer, subshrubs mainly used soil water in 10-30 cm layer while grass relied on soil water of 0-10 cm layer. Shrubs mainly used soil water of 0-30 cm layer and subshrubs mainly used soil water around 50 cm at fixed dune. This study indicated that in dry season plants at fixed dune are more dependent on soil water of 0-50 cm layer compared with those in dune slack. The water sources of sand-binding plants are correlated with plant life form and root distribution range, and the later might play a more important role.

Highly double selective nitration of nitrostilbenes over zeolite.

A feasible zeolite-assisted ortho C-H nitration of nitrostilbenes has been developed for the first time, which can be used in situ. It uses acetyl nitrate as a mild, easily handled and commercially available nitrating reagent, leading to the synthesis of polynitrostilbenes with double selectivities and in good yields.

Theoretical studies on the thermodynamic properties, densities, detonation properties, and pyrolysis mechanisms of trinitromethyl-substituted aminotetrazole compounds.

Trinitromethyl-substituted aminotetrazoles with -NH2, -NO2, -N3, and -NHC(NO2)3 groups were investigated at the B3LYP/6-31G(d) level of density functional theory. Their sublimation enthalpies, thermodynamic properties, and heats of formation were calculated. The thermodynamic properties of these compounds increase with temperature as well as with the number of nitro groups attached to the tetrazole ring. In addition, the detonation velocities and detonation pressures of these compounds were successfully predicted using the Kamlet-Jacobs equations. It was found that these compounds exhibit good detonation properties, and that compound G (D = 9.2 km/s, P = 38.8 GPa) has the most powerful detonation properties, which are similar to those of the well-known explosive HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazocine). Finally, the electronic structures and bond dissociation energies of these compounds were calculated. The BDEs of their C-NO2 bonds were found to range from 101.9 to 125.8 kJ/mol(-1). All of these results should provide useful fundamental information for the design of novel HEDMs.

Theoretical investigation of a novel high density cage compound 4,8,11,14,15-pentanitro-2,6,9,13-tetraoxa-4,8,11,14,15-pentaazaheptacyclo[5.5.1.1(3,11).1(5,9)] pentadecane.

A novel polynitro cage compound 4,8,11,14,15-pentanitro-2,6,9,13-tetraoxa-4,8,11,14,15-pentaazaheptacyclo [5.5.1.1(3,11).1(5,9)]pentadecane(PNTOPAHP) has been designed and investigated at the DFT-B3LYP/6-31(d) level. Properties, such as electronic structure, IR spectrum, heat of formation, thermodynamic properties and crystal structure have been predicted. This compound is most likely to crystallize in C2/c space group, and the corresponding cell parameters are Z = 8, a = 29.78 Å, b = 6.42 Å, c = 32.69 Å, α = 90.00°, ß = 151.05°, γ = 90.00° and ρ = 1.94 g/cm(3). In addition, the detonation velocity and pressure have also been calculated by the empirical Kamlet-Jacobs equation. As a result, the detonation velocity and pressure of this compound are 9.82 km/s, 44.67 GPa, respectively, a little higher than those of 4,10-dinitro-2,6,8,12-tetraoxa-4,10-diazaisowurtzitane(TEX, 9.28 km/s, 40.72 GPa). This compound has a comparable chemical stability to TEX, based on the N-NO(2) trigger bond length analysis. The bond dissociation energy ranges from 153.09 kJ mol(-1) to 186.04 kJ mol(-1), which indicates that this compound meets the thermal stability requirement as an exploitable HEDM.