Abstract. Regional trans-boundary air pollution has become an important issue in the field of air pollution modeling. This paper presents the results of the implementation of the MM5-CMAQ modeling system in the Yangtze River Delta (YRD) for the months of January and July of 2004. The meteorological parameters are obtained by using the MM5 model. A new regional emission inventory with spatial and temporal allocations based on local statistical data has been developed to provide input emissions data to the MM5-CMAQ modeling system. The pollutant concentrations obtained from the MM5-CMAQ modeling system have been compared with observational data from the national air pollution monitoring network. It is found that air quality in winter in the YRD is generally worse than in summer, due mainly to unfavorable meteorological dispersion conditions. In winter, the pollution transport from Northern China to the YRD reinforces the pollution caused by large local emissions. The monthly average concentration of SO 2 in the YRD is 0.026 ± 0.011 mg m −3 in January and 0.017 ± 0.009 mg m −3 in July. Monthly average concentrations of NO 2 in the YRD in January and July are 0.021 ± 0.009 mg m −3 , and 0.014 ± 0.008 mg m −3 , respectively. The monthly average concentration of PM 10 in the YRD is 0.080 ± 0.028 mg m −3 in January and 0.025 ± 0.015 mg m −3 in July. Visibility is also a problem, with average deciview values of 26.4 ± 2.95 dcv in winter and 17.6 ± 3.3 dcv in summer. The ozone concentration in the downtown area of a city like Correspondence to: C. H. Chen (chench@saes.sh.cn) Zhoushan can be very high, with the highest simulated value reaching 0.24 mg m −3 . In January, the monthly average concentration of O 3 in the YRD is 0.052 ± 0.011 mg m −3 , and 0.054 ± 0.008 mg m −3 in July. Our results show that ozone and haze have become extremely important issues in the regional air quality. Thus, regional air pollution control is urgently needed to improve air quality in the YRD.

Accessing hindered amines, particularly primary amines α to a fully substituted carbon center, is synthetically challenging. We report an electrochemical method to access such hindered amines starting from benchtop-stable iminium salts and cyano­heteroarenes. A wide variety of substituted heterocycles (pyridine, pyrimidine, pyrazine, purine, azaindole) can be utilized in the cross-coupling reaction, including those substituted with a halide, trifluoromethyl, ester, amide, or ether group, a heterocycle, or an unprotected alcohol or alkyne. Mechanistic insight based on DFT data, as well as cyclic voltammetry and NMR spectroscopy, suggests that a proton-coupled electron-transfer mechanism is operational as part of a hetero-biradical cross-coupling of α-amino radicals and radicals derived from cyano­heteroarenes.

Process research and development of a synthetic route towards a novel renin inhibitor (1) is described. The highly convergent synthetic route provided 1 in 15% yield on multikilogram scale with a longest linear sequence of 11 steps. The use of catalytic hydrogenation features prominently in our design. The proper choice of N-methylpyridone surrogate was also important, and we describe a method for the easy conversion of 2-methoxypyridines to N-methylpyridones using cheap and readily available reagents.

Abstract. Volatile organic compound (VOC) species from vehicle exhausts and gas evaporation were investigated by chassis dynamometer and on-road measurements of nine gasoline vehicles, seven diesel vehicles, five motorcycles, and four gas evaporation samples. The secondary organic aerosol (SOA) mass yields of gasoline, diesel, motorcycle exhausts, and gas evaporation were estimated based on the mixing ratio of measured C2–C12 VOC species and inferred carbon number distributions. High aromatic contents were measured in gasoline exhausts and contributed comparatively more SOA yield. A vehicular emission inventory was compiled based on a local survey of on-road traffic in Shanghai and real-world measurements of vehicle emission factors from previous studies in the cities of China. The inventory-based vehicular organic aerosol (OA) productions to total CO emissions were compared with the observed OA to CO concentrations (ΔOA / ΔCO) in the urban atmosphere. The results indicate that vehicles dominate the primary organic aerosol (POA) emissions and OA production, which contributed about 40 and 60 % of OA mass in the urban atmosphere of Shanghai. Diesel vehicles, which accounted for less than 20 % of vehicle kilometers of travel (VKT), contribute more than 90 % of vehicular POA emissions and 80–90 % of OA mass derived by vehicles in urban Shanghai. Gasoline exhaust could be an important source of SOA formation. Tightening the limit of aromatic content in gasoline fuel will be helpful to reduce its SOA contribution. Intermediate-volatile organic compounds (IVOCs) in vehicle exhausts greatly contribute to SOA formation in the urban atmosphere of China. However, more experiments need to be conducted to determine the contributions of IVOCs to OA pollution in China.

A high O₃ episode was detected in urban Shanghai, a typical city in the Yangtze River Delta (YRD) region in August 2010. The CMAQ integrated process rate method is applied to account for the contribution of different atmospheric processes during the high pollution episode. The analysis shows that the maximum concentration of ozone occurs due to transport phenomena, including vertical diffusion and horizontal advective transport. Gas-phase chemistry producing O₃ mainly occurs at the height of 300–1500 m, causing a strong vertical O₃ transport from upper levels to the surface layer. The gas-phase chemistry is an important sink for O₃ in the surface layer, coupled with dry deposition. Cloud processes may contribute slightly to the increase of O₃ due to convective clouds or to the decrease of O₃ due to scavenging. The horizontal diffusion and heterogeneous chemistry contributions are negligible during the whole episode. Modeling results show that the O₃ pollution characteristics among the different cities in the YRD region have both similarities and differences. During the buildup period, the O₃ starts to appear in the city regions of the YRD and is then transported to the surrounding areas under the prevailing wind conditions. The O₃ production from photochemical reaction in Shanghai and the surrounding area is most significant, due to the high emission intensity in the large city; this ozone is then transported out to sea by the westerly wind flow, and later diffuses to rural areas like Chongming island, Wuxi and even to Nanjing. The O₃ concentrations start to decrease in the cities after sunset, due to titration of the NO emissions, but ozone can still be transported and maintain a significant concentration in rural areas and even regions outside the YRD region, where the NO emissions are very small

The first total synthesis of chaetoglobin A (1), which features a chiral axis between two identical highly oxygenated bicyclic cores, was successfully completed in 12 steps from 2,6-dimethoxytoluene. Vanadium-catalyzed oxidative phenol coupling, as a key step, enabled generation of the axial chirality.

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Pure (Z)-enamines readily prepared from beta-ketoesters and amides using (S)-phenylglycine amide were hydrogenated with very high diastereoselectivities (up to 200:1) using heterogeneous catalysis. Hydrogenolytic cleavage of the (S)-phenylglycine amide afforded the corresponding chiral beta-aminoesters and amides. The high geometrical purity of the (Z)-enamine and a simple activation procedure for the PtO2 catalyst are essential in achieving high selectivity.