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Ambient concentrations of photochemical oxidants (Ox) averaged throughout all ambient monitoring stations in Japan have increased slightly during the past two decades despite decreasing emissions of oxidant precursors such as NOx and hydrocarbons. In the Kanto area of Japan, which is heavily populated and industrialized, Ox concentrations are often high, especially in late spring and summer, and a photochemical smog warning is frequently issued. Although the north Kanto area is about 150 km from the southern metropolitan area, and, moreover, local emissions of precursors are limited because of its agricultural and forested character, high Ox concentration levels (>120 ppbv (1-h average)) are often observed there. We analyzed the relationship between the occurrence of high Ox concentrations in the north Kanto and meteorological conditions. By combining the regional wind pattern and the presence of the inversion layer in the atmospheric boundary layer, we identified five distinct meteorological patterns. High Ox concentrations in the north Kanto area were associated with a southerly extended sea breeze accompanied by a subsidence inversion layer. We inferred that the transport of Ox from the southern urban area by southerly winds and restricted dispersion below the inversion layer can lead to high Ox concentrations in the north Kanto area. This meteorological condition is associated with the presence of a high pressure system centered in the southeastern or eastern sector offshore of the Kanto area. Thus, Ox concentrations in the north Kanto area, where emissions of precursors are relatively low, can easily increase to very high levels under favorable meteorological conditions.  相似文献   
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Juvenile hormone (JH) agonists constitute a subclass of insect growth regulators and play important roles in insect pest management. In this work, a multi-step virtual screening program was executed to find novel JH agonists. A database of 5 million purchasable compounds was sequentially processed with three computational filters: (i) shape and chemical similarity as compared to known JH-active compounds; (ii) molecular docking simulations against a Drosophila JH receptor, methoprene-tolerant; and (iii) free energy calculation of ligand–receptor binding using a modified MM/PBSA (molecular mechanics/Poisson–Boltzmann surface area) protocol. The 11 candidates that passed the three filters were evaluated in a luciferase reporter assay, leading to the identification of a hit compound that contains a piperazine ring system (EC50=870 nM). This compound is structurally dissimilar to known JH agonists and synthetically easy to access; therefore, it is a promising starting point for further structure optimization.  相似文献   
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