纳米管的第一性原理计算

基于Hartree-Fock和密度泛函理论(DFT)混合近似下的第一性原理计算,系列地研究了单壁碳纳米管(扶手椅管、锯齿管、手性管)和单壁氮化硼纳米管的杨氏模量、卷曲形变能以及电子能带结构.分析了单壁碳纳米管的管径、管型和能隙宽度对其杨氏模量理论计算值的影响,给出了纳米管管径和手性对卷曲形变能的影响.     

黑骨藤伸筋透骨喷雾剂中薄荷醇的测定

建立了气相色谱法测定黑骨藤伸筋透骨喷雾剂中薄荷脑含量。使用HP5890A气相色谱仪:FID氢火焰检测器,HP3396A色谱工作站,DB WAX(PEG 20M)15 m×0.53 mm×0.25μm弹性石英毛细管色谱柱;载气:高纯氮,载气流速为12 ml/min;进样口160℃,柱温:90℃(3 min,10℃/min)-120℃(3 min,20℃/min)-140℃(2 min);检测器温度200℃.薄荷脑标准曲线为Y=1.029X-0.0044;本法RSD均<1.5%;相当于样品中薄荷脑含量50%、100%、200%宽范围内的平均加标回收率分别为103.4%,98.82%,99.34%。本方法快速简便准确,可以用于黑骨藤伸筋透骨喷雾剂中薄荷脑含量的测定和产品质量控制。     

光谱法研究Ni[(C4H9O)2PS2]2与 2,2''''-联吡啶的加合反应

用光谱法研究了Ni[(C4H9O)2PS2]2(简称NiL2)与2,2'-联吡啶(简称B)温度为32℃时在乙醇溶剂中的加合反应.Ni[(C4H9O)2PS2]2与2,2'-联吡啶生成1∶1的六配位的加合物NiL2·B,且加合物的吸收光谱是由NiS4N2的发色基团所引起的.实验测定了加合反应的平衡常数值Kθ=3.40×106.     

大孔树脂吸附分离柚皮加工废液中的总黄酮

工业化生产加工柚皮过程中，采用树脂法吸附分离酸提果胶后的超滤膜透过液得柚黄酮柚皮苷。通过考察直接醇提液和超滤膜透过液中柚皮苷在树脂上的吸附性能，确定最佳吸附分离工艺条件。结果表明，醇提液和膜透过液均可用大孔树脂纯化，高效液相色谱（HPLC）测定显示从醇提液和膜透过液中分离得到的总黄酮在主要成分上没有明显区别，大孔吸附树脂对膜透过液的循环使用次数≥6次，AB-8大孔树脂适合应用到工业生产中对膜透过液回收柚皮黄酮，实现柚皮加工综合利用。     

味精废水中粘红酵母和螺旋藻混合培养生产油脂

研究了在味精废水中混合培养粘红酵母和钝顶螺旋藻，并生产油脂。将COD（化学需氧量）为32000mg/L的味精废水稀释5倍，pH值调节到5.5，接种10%粘红酵母，培养3d后接种10%螺旋藻。培养5d后，COD降解率为70.3%，油脂产量为216mg/L，分别是粘红酵母单独培养的1.75倍和5.42倍，螺旋藻单独培养的2.36倍和7.64倍。混合培养也利于废水中NH₄⁺-N、还原糖以及谷氨酸的去除。     

一类混合单调算子方程解的Mann迭代序列的收敛性

利用Mann迭代技巧,讨论了不具有连续性和紧性条件的混合单调算子方程解的存在唯一性,并给出了迭代序列收敛于解的误差估计,所得结果是某些已知结果本质改进和推广.     

基于块匹配的运动估计的改进算法

运动估计是视频压缩中帧间预测编码的关键技术之一,在各个压缩标准中都广泛使用了基于块的运动估计技术。本文分析了影响运动估计时间和准确度的因素,提出结合各类算法优点的新型的算法,并由实验表明其优越性。     

A new method to calculate monthly CO emissions using MOPITT satellite data

A new method is developed to calculate monthly CO emission data using MOZART modeled and MOPITT observed CO data in 2004. New CO emission data were obtained with budget analysis of the processes controlling CO concentration such as surface emission, transport, chemical transform and dry deposition. MOPITT data were used to constrain the model simulation. New CO emission data agree well with Horowitz’s emissions in the spatial distributions. Horowitz’s emissions are found to underes- timate CO emissions significantly in the industrial areas of Asia and North America, where high CO emissions are mainly due to the anthropogenic activities. New CO emissions can better reflect the more recent CO actual emissions than Horowitz’s.     

Synthesis, Characterization and Calorimetry of Ni（C4H8N2O3）2Cl2

A coordination complex was synthesized from NiCl2 and dipeptide glycylglycine（GG）. It was characterized by element analysis, NMR and TG methods, and then was determined to be Ni（C4HsN2O3）2Cl2. Using an isoperibolic reaction calorimeter, the standard molar enthalpy of formation of Ni（GG）2Cl2（solid） has been determined to be -（1 674.66±2.02） kJ · mol^-1 at 298.15 K.     

Single grain Rb-Sr dating of euhedral and cataclastic pyrite from the Qiyugou gold deposit in western Henan, central China

The Rb-Sr isotopic dating of pyrite mineral from ore deposits can directly provide mineralization age. However, many geological factors may affect the Rb-Sr isotopic system,which baffles application of this method. Employing ultra-low procedural blank Rb-Sr method,we have dated pyrites separated from the No. 4 breccia pipe of the Qiyugou gold deposit,western Henan Province. Single grains of euhedral pyrite crystal with few microcracks yield an isochron age of 126 ± 11 Ma, which represents time of the main mineralization stage of the deposit. Pyrite grains of cataclastic type show nevertheless scattered Rb-Sr isotopic composition and no reasonable isochron can be defined. Crystal morphology and mineral inclusion studies reveal that Rb and Sr of pyrite mineral probably are preserved mainly in biotite, K-feldspar, and sericite mineral inclusions. The dating results likely suggest that cataclastic pyrite is not suitable for the Rb-Sr dating due to modification of the Rb-Sr isotopic system by later hydrothermal activity of fluid.