分子定量结构与生物降解性关系模型的研究进展及性能评价

介绍不同的分子定量结构与生物降解性关系（QSBR）模型,对每种模型的相关性和有效性进行客观的比较,并对每种QSBR模型的应用进行详细的描述。研究表明,只有用广泛的分子结构进行可生化性判断的模型才是最有效的。     

Use of different organic wastes in reducing the potential leaching of propanil,isoxaben, cadusafos and pencycuron through the soil

In this study, we examined the effect of four different organic wastes (OW)—composted sheep manure (CSM), spent coffee grounds (SCG), composted pine bark (CPB) and coir (CR)—on the potential groundwater pollution of propanil and isoxaben (herbicides), cadusafos (insecticide) and pencycuron (fungicide) under laboratory conditions. For this purpose, leaching studies were conducted using disturbed soil columns filled with a clay loam soil (Hipercalcic calcisol). The addition of organic matter (OM) drastically reduced the movement of the studied pesticides. The results obtained point to the interest in the use of agro-industrial and composted OW in reducing the groundwater pollution by pesticide drainage.     

Sorptive interactions and binding of δ‐endotoxin protein from bacillus thuringiensis subsp. kurstaki inforest soils

Abstract

The adsorption, desorption and binding of the insecticidal protein from Bacillus thuringiensis subsp. kurstaki (Btk toxin) onto autoclaved sandy and clay loam forest soils were studied at 23°C in a buffer medium (pH 10.2) using the precipitated protein mixture (active + inactive) obtained from a commercial Btk formulation. The active protein in the buffer solution was quantified by ELISA technique. Maximum adsorption of the toxin onto the sandy (301 μg/g) and clay (474 μg/g) loam soils was found to occur after 3 and 4 hours of agitation, respectively. Adsorption of the toxin was higher in the clay loam soil than in sandy loam. Adsorption parameters were calculated using the Freundlich and linear isotherm equations. The K_F and 1/n values for the soils were 1.12 and 1.48 (sandy), and 20.42 and 0.874 (clay), respectively, indicating stronger affinity of the toxin for the clay compared to the sandy loam soil. The linear model showed deviations at higher concentrations, nevertheless using the best fit, K_D and K_OC values were computed for the two soils. For sandy loam, the K_D and K_OC values were 9.38 and 391, respectively; the corresponding values for clay loam were 13.19 and 425, confirming the higher sorption affinity of the toxin for clay loam. The adsorption data did not fit the Langmuir equation because of heterogeneity of the soil surface. Desorption studies showed that more than half of the adsorbed toxic protein remained firmly attached to sandy (162.6 μg/g or 54.5%) and clay (314.0 μg/g or 67.4%) loam soils after six 0.5‐h washes (total 3.0 h wash time). Although the toxin appears to be a non‐leacher, its lateral mobility, soil persistence and biological consequences, including bioavailability of the bound residues, are poorly understood and require further investigation.     

3-甲基丁酮与OH自由基反应的速率常数及其机理研究

在(298±3)K的温度下,采用相对速率法测得了3-甲基丁酮与OH自由基在气相中的反应速率常数:k=(2·6±0·4)×10~(-12)cm~3·molecule~(-1)·s~(-1).该结果与根据结构活性法估算的结果相一致.实验中还测定了该反应的主要产物:丙酮、甲醛和过氧乙酰基硝酸酯(PAN),讨论了该气体在NOx存在下与OH自由基反应的机理.根据上述实验结果讨论了3-甲基丁酮对对流层臭氧浓度的影响:3-甲基丁酮在大气对流层中的氧化反应活性不高,它的主要氧化产物丙酮同样具有低的反应活性.因此,3-甲基丁酮对大气中臭氧生成的贡献不是很大.     

不同材质滤膜测量大气颗粒物质量浓度和化学组分的适用性

为提高不同粒径段大气颗粒物质量浓度及化学组成测量数据的准确性,使用惯性撞击式采样器对北京、千烟洲和鼎湖山3个站点的大气颗粒物分9个粒径段进行了采集,从质量浓度偏差和化学组成的角度进行了方法学探讨.结果表明,在恒温25℃、恒湿50%平衡条件下,称量石英材质的采样膜获得的PM2.1质量浓度相对于TEOM在线PM2.5观测结果的正偏差为20%左右,正偏差诱因是环境空气相对湿度过高.干燥(10% 湿度,25℃)微环境平衡处理方法有利于采样后膜片中H2O析出,使得上述正偏差降低至8%.通过条件实验,确定了石英膜采样前后在干燥器中放置72h平衡后称重、差减获得各级质量浓度的方法,可将偏差控制在可接受范围之内.基于这种方法获得的PM2.1质量浓度与TEOM在线PM2.5观测结果呈显著线性相关(R2=0.89,P<0.05).为达到通过化学成分重构质量浓度的需求,建立了同步使用石英膜采集样品并用于水溶性成分、有机碳和元素碳含量分析,而使用纤维素膜采样后用于金属元素分析的方案.应用上述方案对样品进行了全化学分析,对PM2.1质量进行了重构,重构获得的质量浓度与称重获得PM2.1质量浓度也呈显著线性相关(R2=0.89,P<0.05).     

Kinetic and products study of the gas-phase reaction of Lewisite with ozone under atmospheric conditions

The rate constant for the gas-phase reaction of O_3 and Lewisite was studied in air using the smog chamber technique. The experiments were carried out under pseudo-first-order reaction conditions with [O_3] [Lewisite]. The observed rate constant of O_3 with Lewisite was(7.83 ± 0.38) × 10~(-19)cm~3/(molecule·sec) at 298 ± 2 K. Lewisite was discussed in terms of reactivity with O_3 and its relationship with the ionization potential. Our results show that the rate constant for the gas-phase reaction of O_3 with Lewisite is in line with the trend of the rate constants of O_3 with haloalkenes.     

相对速率法测OH自由基与几种低碳醇的反应速率常数

在 2 99± 2K温度下 ,以甲醇为参照物 ,采用相对速率方法得到了几种醇与OH自由基在气相中的反应速率常数 ,这些速率常数分别为 (单位为 :10 5m3·mol-1·s-1) :乙醇k1=17 6 ,正丙醇k2 =35 2 ,2 丙醇k3=31 2 ,正丁醇k4 =48 2 ,2 甲基—1 丙醇k5=6 2 0 ,2 甲基— 2 丙醇k6=5 36 ,正戊醇k7=5 1 4,3 甲基— 1 丁醇k8=6 8 6 .其中 2 甲基— 1 丙醇的速率常数在本文中是首次报道 .根据各自的反应速率常数计算得到它们在大气中的平均寿命分别为 :τ1=95 1h ,τ2 =47 5h ,τ3=5 3 6h ,τ4 =34 7h ,τ5=2 7 0h ,τ6=312h ,τ7=32 6h ,τ8=2 4 4h .     

常温纤维素降解菌群的筛选及其特性初探

在改良PCS培养基的基础上,通过定期改变传代方法,从污泥、森林土、发酵腐熟牛粪、堆肥处理麦秆中筛选出1组纤维素分解能力强而稳定的纤维素混合菌群(代号为Xc),100 mL培养物在37 ℃静置培养5 d,对滤纸纤维素、脱脂棉、麦秆(片)、牛粪纤维降解率分别达到81%、41%、25%、40%.Xc在37、28 ℃分解滤纸时,分别在第5 天、第7 天时CMC酶活性最高,分别达到104.5、95.3 U·mL-1.在初始pH 5～9的培养基上接种均能表现出较强分解能力.采用变性梯度胶电泳(DGGE)法比较来源于不同时期菌群16S rDNA条带表明,菌群结构稳定.     

A numerical study on the seasonal variability of polychlorinated biphenyls from the atmosphere in the East China Sea

A three-dimensional/high-resolution transport model for persistent organic pollutants (POPs) has been developed for the East China Sea (ECS). The POPs model has four compartments (gaseous, dissolved, phytoplankton-bound, and detritus-bound phases) and includes processes for diffusive air-water exchange, phytoplankton uptake/depuration to POPs, decomposition of dissolved phase, vertical sinking of phytoplankton, detritus production by phytoplankton mortality, and vertical sinking and decomposition of detritus. The POPs model is coupled with an ocean circulation model that can reproduce the seasonal variation in physical variables to represent the advection and diffusion of POPs. We applied the POPs model to the polychlorinated biphenyl congener 153 (PCB 153) from the atmosphere and examined the behavior of PCB 153 in the ocean. The model showed a remarkable seasonal variability of PCB 153. Concentrations in the dissolved and particulate phases are high in winter (January-March) and low in summer (July-September). In coastal regions, where chlorophyll a concentration is high, horizontal and vertical distributions in the dissolved and particulate PCB 153 concentrations are strongly affected by phytoplankton uptake. The sensitivity experiments on the dynamics of PCB 153 suggested that a change of Henry’s law constant associated with water temperature is the major factor controlling the seasonal variability of PCB 153. The model-based yearly mass balance of PCB 153 in the ECS indicated that most of the atmospheric input (35.5 kg year⁻¹) is removed by the horizontal advection outside the ECS (19.0 kg year⁻¹) and accumulates to the sea bottom by vertical sinking (15.7 kg year⁻¹). For comparison with PCB 153, we also conducted simulations for PCB 52, 101, and 180. The seasonal variations are similar to that of PCB 153. The mass balance of PCB 52 that has short half-life time and less hydrophobic property shows the different results compared with PCB 101, 153, and 180.     

浅析定电位电解法测试SO2应注意的问题

用定电位电解法测定SO2时,会出现多种影响测试结果的各种因素。本文对此进行了讨论,结果表明,采取有效措施可降低干扰,极大的提高了污染源监测和在线比对监测的可靠性和准确性。