水杨酸及其磺基衍生物在超高交联吸附树脂上的吸附选择性研究

水杨酸及其磺基衍生物（5磺基水杨酸）在超高交联吸附树脂NDA-100和改性超高交联吸附树脂NDA-99上的平衡吸附遵循Freundlich等温方程,拟合结果表明其放热的优惠吸附特征。NDA-100树脂的吸附主要依赖π-π作用,而5-磺基水杨酸在NDA-99上的吸附受静电作用的影响明显。随着双组分体系内5-磺基水杨酸初始浓度的增大,水杨酸在NDA-99上的吸附量减小,而在NDA-100上的吸附量增大。另外对于两种树脂,随着水杨酸初始浓度的增大,5磺基水杨酸的吸附量均减小。吸附作用力的强弱导致溶质组分在树脂活性位点上的直接竞争现象。在5-磺基水杨酸存在的吸附体系内,NDA-100对水杨酸的吸附选择性远远优越于NDA-99。NDA-100串联NDA-99组合吸附工艺可以有效实现水杨酸和5-磺基水杨酸的选择性吸附分离。     

使用OCMA—350非分散红外测油仪测量水或废水中石油类的探讨

本文初步探讨了使用OCMA－350非分散红外法测定水或废水中石油类过程中萃取剂CCl4的预处理与OCMA-350测油仪的使用。     

部分苯衍生物对黄瓜种子发芽率的抑制毒性及QSAR研究

采用半静态培养法测定了29种苯衍生物对黄瓜种子发芽率的48h抑制毒性,并进行了定量结构-活性相关研究．结果表明：苯衍生物对黄瓜种子发芽率的抑制毒性不仅与化合物的疏水性(lgKOW)有关,而且与其分子最低未占轨道能量(ELUMO)有关．     

Multi-parameter renewal processes and simulation of forest fires

The concept of the renewal property is extended to processes indexed by a multidimensional time parameter. The definition given includes not only partial sum processes, but also Poisson processes and many other point processes whose jump points are not totally ordered. Various properties of renewal processes are discussed. Renewal processes are proposed as a basis for modelling the spread of a forest fire under a prevailing wind.

内源性气态SO2对血管的舒张作用及其机制Ⅱ：与亚硫酸盐的比较及SO2的内源产生与调节

为了探讨内源性气态SO2对血管的舒张作用及其机制,采用将气态SO2或SO2生理盐水溶液加入孵育液,使SO2分子直接作用于离体大鼠胸主动脉血管环的方法,对体内SO2的失活机制、正常生理浓度及其内源产生的体内调节等进行了研究,并对亚硫酸盐/亚硫酸氢盐能否作为"SO2供体"的问题进行了讨论.结果显示:1)气态SO(21~2000μmol·L-1)对血管的舒张作用是剂量依赖性的,且其舒血管作用远大于SO2衍生物(亚硫酸盐和亚硫酸氢盐),表明SO2衍生物是SO2信号作用失活的产物;2)SO2气体和SO2生理盐水溶液对大鼠血管的舒张作用强度相似,表明在SO2生理学或毒理学试验中二者可相互替代;3)正常大鼠胸主动脉血管组织和血浆中内源性SO2平均浓度分别为(127.76±31.34)和(16.77±8.24)μmol·L-1,表明血管组织SO2的浓度很高;4)内源性SO2在血管内皮和平滑肌细胞均可合成,但主要在血管内皮细胞合成;5)不论对大鼠体内血管组织还是对离体血管组织、体外培养的血管内皮和平滑肌细胞,乙酰胆碱(Ach)均能剂量依赖性地促进SO2的产生,而重酒石酸去甲肾上腺素(NE)能够抑制SO2产生.由此结论:1)SO2生理作用的失活途径为"气态SO2→亚硫酸盐/亚硫酸氢盐→硫酸盐",亚硫酸盐和亚硫酸氢盐混合液的作用并不能等同于内源性SO2的作用,不能作为体内、外处理生物组织的"SO2供体";2)直接应用SO2气体或者应用SO2生理盐水溶液代替SO2气体处理生物组织可作为内源性SO2生理学研究的新模式;3)血管组织SO2的浓度很高且主要在内皮细胞合成;4)SO2的生物合成也能被体内某些内源性物质(如Ach、NE)所调节.     

内源性气态SO2对血管的舒张作用及其机制Ⅲ：信号转导途径

为了从信号转导途径的角度探讨内源性气态SO2引起血管舒张的机制,采用将气态SO2或SO2生理盐水溶液加入孵育液的方法,使SO2分子直接作用于离体大鼠胸主动脉血管环,同时使用不同信号转导途径抑制剂,研究了内源性气态SO2诱发血管舒张的信号转导机制,并采用类比法研究了SO2对Krebs液pH的影响及其与血管舒张的关系.结果显示:1)内源性气态SO2对大鼠血管的舒张作用是SO2分子直接作用引起的,与SO2引起的pH值轻度降低无关;2)气态SO2在生理浓度和低浓度(<450μmol·L-1)引起的舒血管作用主要是通过NO/cGMP途径介导;3)很低浓度的气态SO(23μmol·L-1)和NO(3或5nmol·L-1)在引起血管舒张作用时有协同作用,二者在体内联合发挥对血管张力的调节作用.结论:1)SO2是血管组织的一种内源性气体舒张因子;2)SO2与NO可以协同调节血管张力,二者可能存在某种形式的交叉对话作用.     

Hierarchical modeling of the dilute transport of suspended sediment in open channels

We propose, discuss and validate a theoretical and numerical framework for sediment-laden, open-channel flows which is based on the two-fluid-model (TFM) equations of motion. The framework models involve mass and momentum equations for both phases (sediment and water) including the interactive forces of drag, lift, virtual mass and turbulent dispersion. The developed framework is composed by the complete two-fluid model (CTFM), a partial two-fluid model (PTFM), and a standard sediment-transport model (SSTM). Within the umbrella of the Reynolds-Averaged Navier-Stokes (RANS) equations, we apply K–ε type closures (standard and extended) to account for the turbulence in the carrier phase (water). We present the results of numerical computations undertaken by integrating the differential equations over control volumes. We address several issues of the theoretical models, especially those related to coupling between the two phases, interaction forces, turbulence closure and turbulent diffusivities. We compare simulation results with various recent experimental datasets for mean flow variables of the carrier as well as, for the first time, mean flow of the disperse phase and turbulence statistics. We show that most models analyzed in this paper predict the velocity of the carrier phase and that of the disperse phase within 10% of error. We also show that the PTFM provides better predictions of the distribution of sediment in the wall-normal direction as opposed to the standard Rousean profile, and that the CTFM is by no means superior to the PTFM for dilute mixtures. We additionally report and discuss the values of the Schmidt number found to improve the agreement between predictions of the distribution of suspended sediment and the experimental data.     

Holographic quantitative structure-activity relationship for prediction acute toxicity of benzene derivatives to the guppy (Poecilia reticulata)

Holographic quantitative structure-activity relationship(HQSAR) is an emerging QSAR technique with the combined application of molecular hologram, which encoded the frequency of occurrence of various molecular fragment types, and the subsequent partial least squares(PLS) regression analysis. In this paper, the acute toxicity data to the guppy( poecilia reticulata) for a series of 56 substituted benzenes, phenols, aromatic amines and nitro-aromatics were subjected and this resulted in a model with a high predictive ability. The influence of fragment size and fragment distinction parameters on the quality of HQSAR model was investigated. The robustness and predictive ability of the model were also validated by leave-one-out (LOO) cross-validation procedure and external testing data set.     

Multiscale Drivers of Water Chemistry of Boreal Lakes and Streams

The variability in surface water chemistry within and between aquatic ecosystems is regulated by many factors operating at several spatial and temporal scales. The importance of geographic, regional-, and local-scale factors as drivers of the natural variability of three water chemistry variables representing buffering capacity and the importance of weathering (acid neutralizing capacity, ANC), nutrient concentration (total phosphorus, TP), and importance of allochthonous inputs (total organic carbon, TOC) were studied in boreal streams and lakes using a method of variance decomposition. Partial redundancy analysis (pRDA) of ANC, TP, and TOC and 38 environmental variables in 361 lakes and 390 streams showed the importance of the interaction between geographic position and regional-scale variables. Geographic position and regional-scale factors combined explained 15.3% (streams) and 10.6% (lakes) of the variation in ANC, TP, and TOC. The unique variance explained by geographic, regional, and local-scale variables alone was <10%. The largest amount of variance was explained by the pure effect of regional-scale variables (9.9% for streams and 7.8% for lakes), followed by local-scale variables (2.9% and 5.8%) and geographic position (1.8% and 3.7%). The combined effect of geographic position, regional-, and local-scale variables accounted for between 30.3% (lakes) and 39.9% (streams) of the variance in surface water chemistry. These findings lend support to the conjecture that lakes and streams are intimately linked to their catchments and have important implications regarding conservation and restoration (management) endeavors.