The effect of nitroaromatics' composition on their toxicity in vivo: novel, efficient non-additive 1D QSAR analysis

Novel 1D QSAR approach that allows analysis of non-additive effects of molecular fragments on toxicity has been proposed. Twenty-eight nitroaromatic compounds including some well-known explosives have been chosen for this study. The 50% lethal dose concentration for rats (LD50) was used as the estimation of toxicity in vivo to develop 1D QSAR models on the framework of Simplex representation of molecular structure. The results of 1D QSAR analysis show that even the information about the composition of molecules provides the main trends of toxicity changes. The necessity of consideration of substituents' mutual impacts for the development of adequate QSAR models of nitroaromatics' toxicity was demonstrated. Statistic characteristics for all the developed partial least squares QSAR models, except the additive ones are quite satisfactory (R2=0.81-0.92; Q2=0.64-0.83; R2 test=0.84-0.87). A successful performance of such models is due to their non-additivity i.e. possibility of taking into account the mutual influence of substituents in benzene ring which plays the governing role for toxicity change and could be mediated through the different C-H fragments of the ring. The correspondence between observed and predicted by these models toxicity values is good. This allowing combine advantages of such approaches and develop adequate consensus model that can be used as a toxicity virtual screening tool.     

Composite materials based on wastes of flat glass processing

Glass mirrors scrap and poly (vinyl) butiral waste (PVB) obtained from flat glass processing plants were investigated as raw materials to produce composites. The emphasis was on studying the influence of milled glass mirror waste contents on properties of composites produced with PVB. The characterization involved: elongation under rupture, water absorption, tensile strength and elastic modulus tests. The results showed that the composite containing 10 wt% of filler powder had the best properties among the compositions studied. The influence of the time of exposure in humid atmosphere on the composite properties was investigated. It was found that the admixture of PVB iso-propanol solution to the scrap of glass mirrors during milling provided stabilization of the properties of the composites produced.     

盐池湾国家级自然保护区景观格局演变分析

景观格局演化是土地利用/覆盖变化和景观破碎化在时空上的直接表现,其时空演变过程和影响因素分析,对了解区域生态环境变化、维持生态系统平衡及可持续发展具有重要意义。该文基于1996、2006和2017年3期遥感影像,结合景观格局分析方法,对盐池湾国家级自然保护区近20年景观格局时空演变及影响因素进行分析。结果表明:1996-2017年盐池湾国家级自然保护区沼泽草地、沼泽地、冰川及永久积雪和沙地面积增幅分别为42.05%、63.24%、259.03%和87.62%,天然牧草地、河流水面和裸岩石砾地面积降幅分别为20.15%、24.33%和22.39%;斑块密度、最大斑块指数减小,斑块形状趋于简单,连通性增强,景观的破碎化程度降低;降水与冰川及永久积雪和裸岩石砾地呈显著相关(P<0.05),气温与各土地覆被类型之间关系不显著(P>0.05)。在自然和人为活动共同作用下,盐池湾国家级自然保护区的景观格局向连通性高、破碎化程度降低的方向演变。