X射线衍射法在有机药物研究中的运用

目前随着新药开发、研制过程中对测试方法要求的不断增高,X射线衍射法因其能快速准确地判断药物晶体而被广泛应用于有机药物研究的各个领域.通过对X射线衍射法中装样方法、θ角度和狭缝的选择等参数研究,以获得该方法测定有机药物成分的最佳工作条件,使该法能为有机药物测定提供满意的图谱和更准确的测定结果.     

匈奴的谶歌——祁连山的游牧文明与河西走廊的兴衰(连载四)

正没准现代和古代的区别,就是现代50年的变化速度,能够与古代的10个世纪相比。躲在文明阴影里的水草之争,不是10个而是绵亘漫延了20多个世纪的、古老的草场水源纷争,好像也到了尽头。古老的南北两麓代表的、宏大的中亚青藏之间、苍狼美鹿与雪山狮子之间、一个古老种族和另一个谱系的族群之间的冲突、谈合、占取、退让——已经改变了方式和规律。传奇的道德规矩     

刁江底泥砷形态的化学分级法与XANES方法比较

采用XANES(X射线近边分析)方法和化学分级法,研究了刁江污染源区尾砂及刁江底泥的砷形态组成特征. XANES方法结果表明,尾砂中砷的形态主要以毒砂(FeAsS)存在,其相对百分含量为63%~99%;而刁江底泥中的砷形态主要是毒砂、砷酸盐和亚砷酸盐,其中毒砂的比例较高,表现出典型的尾砂污染特征. 化学分级法结果表明,尾砂中砷形态主要是残渣态砷(Res-As),而底泥中的砷主要以铁合态、钙合态及残渣态形式存在. 刁江底泥中毒砂相对百分含量和残渣态砷随着与污染源区距离的增大而减小,砷酸盐和亚砷酸盐则呈相反的趋势. 化学分级法和XANES方法所反映的刁江底泥和污染源的砷形态组成和变化趋势总体上较为一致,但这2种方法所获得的定量数据存在一定的差异.      

壬基酚对一株铜绿假单胞菌吸附镉的影响

考察壬基酚（NP）对一株从重金属污染场地筛选出的铜绿假单胞菌X吸附镉（Cd）的影响,在NP浓度分别为0、1.0、10.0mg/L条件下,通过优化吸附条件,研究X菌的Cd²⁺吸附效果.结果表明,NP与Cd²⁺共存时,在Cd²⁺初始浓度为1.0mg/L的溶液中,菌体的最佳投菌量和pH值为1.0g/L和7.0,吸附2h,吸附率可达90.0%左右.失活菌与活菌的吸附结果表明失活菌的吸附能力较活菌强.NP浓度对吸附的影响结果表明,低浓度NP对菌株吸附Cd²⁺的抑制作用较小,高浓度NP时抑制作用较大.通过分析X菌处理单一Cd²⁺及Cd²⁺-NP复合污染后的红外光谱图可知,菌体表面的羟基O-H键、酰胺C-N键和N-H键和氨基均参与吸附反应,并且高浓度NP对菌体表面基团活性影响较大,从而影响其对Cd²⁺的吸附.     

基于光电子能谱的高含水输油管道内壁腐蚀减薄试验分析

鄂尔多斯盆地高含水输油管道内壁腐蚀减薄现象普遍,腐蚀穿孔频次逐年上升,管道安全防护管理成为难题。为了识别输油管道内壁腐蚀减薄原因,作者在分析含水率、地层水水型、溶解氧对管道内腐蚀影响的基础上选择特征试验管段,基于X射线光电子能谱技术开展管道内壁厚度变化、金相组织、腐蚀产物特性、边缘腐蚀状态研究。结果表明:高含水输油管道内壁腐蚀减薄类型为Cl+O2+H2O环境下的垢下腐蚀,以溶解氧（O2）腐蚀为主,氯离子（Cl－）腐蚀为辅;内壁腐蚀减薄原因为原油含水率过高、水中氯离子含量过高、水中含有溶解氧和介质流速偏低。     

X80管道焊接残余应力分析与预测

针对焊接残余应力对油气管道的不利影响,采用基于有限元方法对西气东输X80 管道焊接接头的轴向和径向残余应力进行了数值模拟,并通过参数敏感性分析,研究了 焊接线能量和层间温度的对轴向残余应力和径向残余应力的影响规律。结果表明:轴向 残余应力随着焊接线能量和层间温度的升高而增大,而径向残余应力呈减小趋势;近焊 缝区的径向残余应力较中间层小,轴向残余应力较远焊缝区大。根据研究结果,提出了 最大残余应力的预测模型和减小焊接残余应力的措施,为保障我国在役X80油气管道的 安全生产具有重要意义。     

基于有限元分析的X80高钢级管道剩余强度计算公式构建

为了更加精确地计算X80高钢级管道剩余强度,以有限元分析理论基础为依据,采用ANSYS WORKBENCH软件对含腐蚀缺陷的X80高钢级管道进行仿真模拟。基于X80高钢级管道有限元模型计算结果,选用1stOpt软件,用拟合的方法构建出以腐蚀缺陷长度、腐蚀缺陷深度、管径、壁厚等因素为变量的X80高钢级管道剩余强度计算公式,将拟合公式与PCORRC,DNV RP-F101和LPC-1等3种评价方法的准确性进行对比、验证和分析。结果表明:拟合公式的误差较小,具有较好的适用性。研究结果对改进现有评价方法具有参考作用。     

Enhanced adsorption of phosphate by loading nanosized ferric oxyhydroxide on anion resin

Ferric oxyhydroxide loaded anion exchanger （FOAE） hybrid adsorbent was prepared by loading nanosized ferric oxyhydroxide （FO） on anion exchanger resin for the removal of phosphate from wastewater. TEM and XRD analysis confirmed the existence of FO on FOAE. After FO loading, the adsorption capacity of the hybrid adsorbent increased from 38.70 to 51.52mg.g-1. Adsorption processes for both FOAE and anion resin were better fit to the pseudo first order model. Batch adsorption experiments revealed that higher temperature （313K）, higher initial phosphate concentration （50 mg.L-1） and lower solution pH （pH value of 2） would be more propitious to phosphate adsorption. Competition effect of coexisting anions on phosphate removal can be concluded as sulfate 〉 nitrate 〉 chloride. Freundlich isotherm model can describe the adsorption of phosphate on FOAE more accurately, which indicated the heterogeneous adsorption occurred on the inner-surface of FOAE.     

Cation exchange resin supported nanoscale zero-valent iron for removal of phosphorus in rainwater runoff

Self-made cation exchange resin supported nanoscale zero-valent iron （R-nZVI） was used to remove phosphorus in rainwater runoff. 80% of phosphorus in rainwater runoff from grassland was removed with an initial concentration of 0.72 mg. L-1 phosphorus when the dosage of R-nZVl is 8 g per liter rainwater, while only 26% of phosphorus was removed when using cation exchange resin without supported nanoscale zero-valent iron under the same condition. The adsorption capacity of R-nZVI increased up to 185 times of that of the cation exchange resin at a saturated equilibrium phosphorous concentration of 0.42 mg. L-1. Various techniques were implemented to characterize the R-nZVI and explore the mechanism of its removal of phosphate. Scanning electron microscopy （SEM） indicated that new crystal had been formed on the surface of R-nZVI. The result from inductive coupled plasma （ICP） indicated that 2.1% of nZVI was loaded on the support material. The specific surface area was increased after the load of nanoscale zero-valent iron （nZVI）, according to the measurement of BET-N2 method. The result of specific surface area analysis also proved that phosphorus was removed mainly through chemical adsorption process. X-ray photoelectron spectroscopy （XPS） analysis showed that the new product obtained from chemical reaction between phosphate and iron was ferrous phosphate.     

Identification and ranking of the risky organic contaminants in the source water of the Danjiangkou reservoir

The Danjiangkou reservoir was selected to provide the source water for the middle routes of the South to North Water Transfer Project, which has provoked many environmental concerns. To date, investigations of water contamination of the source water of the Danjiangkou reservoir with organic micro-pollutants have been limited. This study was conducted to identify and rank organic contaminants that pose risks in the Danjiangkou reservoir. To this end, the Chemical Hazard Evaluation and Manage- ment Strategies （CHEMS-1） approach was adapted to integrate the deconvolution technology of qualitative identifying contaminants for site-specific environmental matrices. The samples were screened for the presence of 1093 contaminants using deconvolution technologies and the hazard values of the identified contaminants were calculated using the adapted CHEMS-1 approach accord- ing to their hazardous properties and occurrence in source water. The results showed that 46 contaminants from 1093 targets were present in Danjiangkou water, 23 of which appeared at frequencies higher than 50%, and 15 of which were identified as priorities. Over half （53%） of the high- ranked contaminants were polycyclic aromatic hydrocar- bons （PAHs）, with chrysene ranked highest on the list. Health risk assessment of the top-ranked PAHs was conducted and revealed that cancer risks of PAHs detected in the source water of Danjiangkou to different populations ranged from 10-7 to 104, indicating a low cancer risk to consumers. The results of this study indicated that the adapted CHEMS-1 approach was feasible for site-specific screening of organic contaminants to identify and rank potential priority pollutants.