Determination of Biodegradation Process of Benzene, Toluene, Ethylbenzene and Xylenes in Seabed Sediment by Purge and Trap Gas Chromatography

Benzene, toluene, ethylbenzene, and xylenes (BTEX) are commonly found in crude oil and are used in geochemical investigations as direct indicators of the presence of oil and gas. BTEX are easily volatile and can be degraded by microorganisms, which affect their precise measurement seriously. A method for determining the biodegradation process of BTEX in seabed sediment using dynamic headspace (purge and trap) gas chromatography with a photoionization detector (PID) was developed, which had a detection limit of 7.3–13.2 ng L^?1 and a recovery rate of 91.6–95.0%. The decrease in the concentration of BTEX components was monitored in seabed sediment samples, which was caused by microorganism biodegradation. The results of BTEX biodegradation process were of great significance in the collection, transportation, preservation, and measurement of seabed sediment samples in the geochemical investigations of oil and gas.     

Novel chiral stationary phases based on peptoid combining a quinine/quinidine moiety through a C9‐position carbamate group

By connecting a quinine or quinidine moiety to the peptoid chain through the C9‐position carbamate group, we synthesized two new chiral selectors. After immobilizing them onto 3‐mercaptopropyl‐modified silica gel, two novel chiral stationary phases were prepared. With neutral, acid, and basic chiral compounds as analytes, we evaluated these two stationary phases and compared their chromatographic performance with chiral columns based on quinine tert‐butyl carbamate and the previous peptoid. From the resolution of neutral and basic analytes under normal‐phase mode, it was found that the new stationary phases exhibited much better enantioselectivity than the quinine tert‐butyl carbamate column; the peptoid moiety played an important role in enantiorecognition, which controlled the elution orders of enantiomers; the assisting role of the cinchona alkaloid moieties was observed in some separations. Under acid polar organic phase mode, it was proved that cinchona alkaloid moieties introduced excellent enantiorecognitions for chiral acid compounds; in some separations, the peptoid moiety affected enantioseparations as well. Overall, chiral moieties with specific enantioselectivity were demonstrated to improve the performance of peptoid chiral stationary phase efficiently.     

4-巯乙基吡啶配基与IgG相互作用的分子模拟研究

4-巯乙基吡啶(MEP)是一种新型的疏水性电荷诱导层析(HCIC)配基,具有良好的抗体分离性能,采用分子模拟方法研究MEP配基与IgG间的分子相互作用,以探讨HCIC分离机制.先通过分子对接搜索IgG分子Fc片段A链的蛋白表面,确定12个可能与MEP结合的位点区域,然后用分子动力学模拟考察了其中6个位点的结合性能.结果表明,MEP在Fc-A链表面的结合具有疏水倾向性,pH中性条件下,MEP能稳定地结合在TYR319和LEU309附近的位点,并与两者形成氢键作用,该区域具有疏水性极强的口袋结构;其他位点的结合较不稳定,受MEP取向影响大.在pH4.0酸性条件下,原先稳定结合的MEP快速从Fc-A链表面脱离,主要原因是MEP和Fc间的静电排斥作用,以及疏水作用减弱和氢键结合的消失.通过分子模拟方法,从分子水平验证了HCIC独特的作用机理:疏水相互作用主导吸附,静电排斥作用协助解吸.     

新型Poisson括号意义下的无穷维Lie代数

本文首先针对ＫｄＶ方程的Ｈａｍｉｌｔｏｎ形式，建立一种比较容易验证的新型Ｐｏｉｓｓｏｎ括号和无穷维Ｌｉｅ代数．其次，研究ＫｄＶ方程的Ｈａｍｉｌｔｏｎ形式的第一积分与新型Ｐｏｉｓｏｎ括号的关系，得到判定第一积分的充分必要条件．最后，构造ＫｄＶ方程的第一积分．     

非线性水波Hamilton系统理论与应用研究进展

概述了辛几何理论与辛算法在Hamilton力学中的应用，综述非线性水波的Hamilton理论研究进展．阐述非线性水波Hamilton变分原理与方法的优越性与局限性，探讨KdV方程和BBM方程的Hamilton描述、对称性与守恒律，提出非线性水波Hamilton描述研究中有待进一步研究的问题和解法设想．     

三层流体中斜入射波作用下半无限板的水弹性响应

解析地研究了在三层流体中斜入射波浪与半无限弹性板的相互作用引起的波散射和板的水弹性响应. 三层流体在界面处的密度发生阶跃, 各层为一常数. 假设流体不可压缩、无黏、流体运动无旋. 在线性势流理论框架下, 使用本征函数展开法和内积式给出波板相互作用的半解析解. 根据色散关系分析, 得到了表面波模态和界面波模态入射时的临界入射角. 随着物理参数的变化, 临界角将随之发生变化. 临界角决定了当由开阔水域向板覆盖水域传播的表面波或界面波的存在性: (1)板覆盖水域入射界面上, 透射波能否存在; (2)入射界面之上界面中, 板覆盖水域中的透射波以及开阔水域中的反射波能否存在. 当下界面波入射时并且入射角足够大时, 开阔水域中的下界面波模态是整个流体域中唯一存在的模态.      

Highly regioselective and practical synthesis of 1-acyl-5-hydroxypyrazolines and 1-acyl pyrazoles from 1,2-allenic ketones and hydrazides

A mild and highly regioselective synthesis of 1-acyl-5-hydroxypyrazolines has been achieved through the condensation of 1,2-allenic ketones with hydrazides in the absence of any catalyst. Moreover, the obtained 1-acyl-5-hydroxypyrazolines can be easily transformed into 1-acyl pyrazoles under the promotion of BF₃·Et₂O. It was also found that 1-acyl pyrazoles can be produced directly from allenic ketones and hydrazides through a one-pot procedure.     

锂离子电池正极材料层状LiMn02的掺杂改性

层状LiMnO2具有成本低、无毒和比容量高等优点,是一种非常有发展前景的正极材料.本文介绍了近年来国内外层状LiMnO2的研究进展.主要阐述了层状LiMnO2的结构与性能的关系.结合笔者的工作,着重探讨了离子掺杂改性对层状LiMno2的电化学性能的影响.最后,简要指明了层状LiMnO2将来的可能研究方向.     

一个二流体系统中非线性水波的Hamilton描述

讨论了一个二流体系统中非线性水波的Hamilton描述,该系统由水平固壁之上的两层常密度不可压无粘流体组成,上表面为自由面.文中将速度势函数展开成垂向坐标的幂级数,在浅水长波的假定下,取下层流体的“动厚度”与上层流体的“折合动厚度”为广义位移、界面上和自由面上的速度势为广义动量,根据Hamilton原理并运用Legendre变换导出该系统的Hamilton正则方程,从而将单层流体情形的结果推广到分层流体的情形.     

吹扫捕集-气相色谱分析海水和沉积物中的苯、甲苯、乙苯及二甲苯

单环芳烃苯、甲苯、乙苯和二甲苯（简称BTEX）是石油的重要组分，也是环境中需要重点监测的致癌污染物。本实验建立了动态顶空（吹扫捕集）和光离子化检测器的气相色谱测量海水、沉积物中痕量BTEX的方法。在120—1200ng／L的浓度范围，苯、甲苯、乙苯、间对二甲苯及邻二甲苯标准溶液的检出限分别为6．4、35．2、15．8、12．3、10．7ng／L，相对标准偏差0．9％-6．1％。样品无需预处理，海水中BTEX回收率为93．50％-98．40％。7个渤海表层海水样品中BTEX的浓度均低于140ng／L；海底沉积物中苯、甲苯、乙苯、间对二甲苯及邻二甲苯浓度分别为169—1243、531—1732、1308—5624、237—1136、510—5194ng／L。测量方法和结果对评价环境污染具有重要意义。