Impact of ozone assisted ultrasonication pre-treatment on anaerobic digestibility of sewage sludge

Impact of ultrasonication(ULS) and ultrasonication–ozonation(ULS-Ozone) pre-treatment on the anaerobic digestibility of sewage sludge was investigated with semi-continuous anaerobic reactors at solid retention time(SRT) of 10 and 20 days. The control, ULS and ULS-Ozone reactors produced 256, 309 and 348 m L biogas/g CODfedand the volatile solid(VS) removals were 35.6%, 38.3% and 42.1%, respectively at SRT of 10 days. At SRT of20 days, the biogas yields reached 313, 337 and 393 m L biogas/g CODfedand the VS removal rates were 37.3%, 40.9% and 45.3% in the control, ULS and ULS-Ozone reactors, respectively.ULS-Ozone pre-treatment increased the residual organic amount in the digested sludge.These soluble residual organics were found to contain macromolecules with molecular weights(MW) larger than 500 k Da and smaller polymeric products with MW around 19.4and 7.7 k Da. These compounds were further characterized to be humic acid-like substances with fluorescent spectroscopy analysis.     

Unusual thermal properties of graphene origami crease:A molecular dynamics study

Graphene is a two-dimensional material that can be folded into diverse and yet interesting nanostructures like macro-scale paper origami.Folding of graphene not only makes different morphological configurations but also modifies their mechanical and thermal properties. Inspired by paper origami, herein we studied systemically the effects of creases, where sp² to sp³ bond transformation occurs, on the thermal properties of graphene origami using molecular dynamics(MD) simula...     

MEDV描述子预测取代芳烃类化合物的藻毒性

以分子电性距离矢量(MEDV)描述子有效表征43个取代芳烃类化合物的分子结构,应用基于预测变量的选择与模型化(VMSP)方法,建立化合物的封闭体系绿藻(Pseudokirchneriella subcapitata)毒性(48 h EC₅₀)与其分子结构之间的定量相关(QSTR)模型. 应用多元线性回归方法建立的QSTR模型具有较高的相关系数(r0.891 1)及LOO(Leave-One-Out)检验相关系数(q0.810 2),表明该模型具有良好的估计能力与稳定性. 应用28个化合物的训练集样本构建QSTR模型预测外部检验集,结果表明,训练集模型也具有良好的预测能力.      

烃类污染物在大气气溶胶源解析方面的应用

分析了国内外的资料,并结合几年来对北京地区的研究成果,讨论了饱和烃、多环芳烃等有机污染物在源解析方面的应用。利用饱和烃进行源解析主要依靠正构烷烃的分布特征和主峰碳、CPI、OEP等参数,以及姥鲛烷和植烷的Pr/Ph、Pr/C17、Ph/C18比值;甾烷及萜烷等环状化合物,性质非常稳定,可以作为化石燃料燃烧的有机示踪物。通常情况下,不同来源的多环芳烃,Ant/Phe、Flua/Pyr、BaA/Chr等比值有一定的差别;因此这些比值也可以作为重要的诊断参数。     

结合光谱法和计算模拟多角度分析2,2',4,4',5-五溴二苯醚与人血清白蛋白的作用机制

本文结合光谱法、动力学模拟(MD)和分子对接等手段,多角度地研究了2,2′,4,4′,5-五溴二苯醚(BDE-99)与人血清白蛋白(HSA)在pH=7.4模拟生理环境下的相互作用机制.首先采用MD从理论上模拟BDE-99与HSA相互作用的构象变化情况;然后利用同步荧光和三维荧光光谱法从实验角度进行验证,所得结果表明,BDE-99使HSA的疏水性增强从而导致其构象发生变化.同时,荧光光谱和紫外光谱得出BDE-99对HSA的猝灭机制属于静态猝灭和非辐射能量转移.另外,分子对接结果显示,BDE-99通过静电引力和疏水作用力结合在HSA的位点I处,这与竞争实验和热力学参数的分析结果是一致的.实验数据与模拟计算结果的相互印证,为进一步探究BDE-99和HSA的相互作用机制提供了重要的信息和参考依据.     

Effect of different molecular weight organic components on the increase of microbial growth potential of secondary effluent by ozonation

Ozonation has been widely applied in advanced wastewater treatment. In this study, the effect of ozonation on assimilable organic carbon （AOC） levels in secondary effluents was investigated, and AOC variation of different molecular weight （MW） organic components was analyzed. Although the removal efflciencies were 47%-76% and 94%-100% for UV2s4 and color at ozone dosage of 10 mg/L, dissolved organic carbon （DOC） in secondary effluents was hardly removed by ozonation. The AOC levels increased by 70%-780% at an ozone dosage range of 1-10 mg/L. AOC increased significantly in the instantaneous ozone demand phase, and the increase in AOC was correlated to the decrease in UV254 during ozonation. The results of MW distribution showed that, ozonation led to the transformation of larger molecules into smaller ones, but the increase in low MW （〈1 kDa） fraction did not contribute much to AOC production. The change of high MW （〉100 kDa and 10-100 kDa） fractions itself during ozonation was the main reason for the increase of AOC levels. Furthermore, the oxidation of organic matters with high MWs （〉 100 kDa and 10-100 kDa） resulted in more AOC production than those with low MWs （1-10 kDa and 〈1 kDa）. The results indicated that removing large molecules in secondary effluents could limit the increase of AOC during ozonation.