Influence of the three-dimensional heterogeneous roughness on electrokinetic transport in microchannels

Surface roughness has been considered as a passive means of enhancing species mixing in electroosmotic flow through microfluidic systems. It is highly desirable to understand the synergetic effect of three-dimensional (3D) roughness and surface heterogeneity on the electrokinetic flow through microchannels. In this study, we developed a three-dimensional finite-volume-based numerical model to simulate electroosmotic transport in a slit microchannel (formed between two parallel plates) with numerous heterogeneous prismatic roughness elements arranged symmetrically and asymmetrically on the microchannel walls. We consider that all 3D prismatic rough elements have the same surface charge or zeta potential, the substrate (the microchannel wall) surface has a different zeta potential. The results showed that the rough channel's geometry and the electroosmotic mobility ratio of the roughness elements' surface to that of the substrate, epsilon(mu), have a dramatic influence on the induced-pressure field, the electroosmotic flow patterns, and the electroosmotic flow rate in the heterogeneous rough microchannels. The associated sample-species transport presents a tidal-wave-like concentration field at the intersection between four neighboring rough elements under low epsilon(mu) values and has a concentration field similar to that of the smooth channels under high epsilon(mu) values.     

Comparison of the volatile constituents of Artemisia capillaris from different locations by gas chromatography-mass spectrometry and projection method

The volatile chemical constituents of Artemisia capillaries (an important traditional Chinese medicine) were determined by gas chromatography-mass spectrometry (GC-MS) and sub-window factor analysis (SFA). Seventy-five components were separated and 43 of them were qualitatively and quantitatively determined, which represented about 89.03% of the total content. This profile was then used to identify and assess the consistency of the herb by using an orthogonal projection method. Four different sources of A. capillaries were analyzed and compared with each other. Among the components determined, there were 51 components coexisting in all samples although the relative peak areas of a few showed variations. It is the first time to apply orthogonal projection method to the comparison of different samples, and it reduces the burden of qualitative analysis as well as the subjectivity. The results showed a fair consistency in their GC-MS fingerprint. A. capillaris was distinguished from Artemisia sacrorum L., a possible substitute in traditional Chinese medicine by comparing the fingerprints with each other.     

A theoretical study of electronic excited states of photosynthetic reaction center in Rhodopseudomonas viridis

The electronic singlet vertical excited states of photosynthetic reaction center (PSRC) in Rhodopseudomonas (Rps.) viridis were investigated by ZINDO and INDO/S methods. The effects of the interactions of pigment-pigment and pigment-protein on the electronic excitations were examined. The calculation results showed that the interactions of pigment-pigment and pigment-protein play an important role in reasonably assigning the experimental absorption and circular dichroism (CD) spectra of PSRC in Rps. virids. By comparing the theoretically computed excited states with the experimental absorption and CD spectra, satisfactory assignments of the experimental spectroscopic peaks were achieved.     

液晶态分子在分析化学中的应用进展

评述了液晶态分子在分析化学中的应用进展，包括其超分子的分子识别作用，液晶在色谱，光谱探针，核磁共振谱等分析化学领域中的应用。     

手性液晶掺杂剂（S）—4‘—辛氧基—4—（2—酰氧基—丙氧基）联苯的合成

手性液晶掺杂剂（Ｓ）┐４┐辛氧基┐４┐（２┐酰氧基┐丙氧基）联苯的合成马汝建李培荣国斌＊（华东理工大学化学系上海２００２３７）关键词铁电液晶材料，手性液晶掺杂剂，合成，手征性１９９７－０２－０３收稿，１９９７－０８－０７修回铁电液晶显示器所用的材料...     

高富勒烯的提取,分离和分析

采用二硫化碳重结晶富勒烯混合物或二硫化碳二次抽提烟灰以提取高富勒烯（ｈｉｇｈｅｒｆｕｌｅｒｅｎｅｓ，Ｃｎ，ｎ＞７０）。产物经高效液相色谱分析，高富勒烯的含量从１％分别提高到４％和６％；经激光飞行时间质谱证明，产物中除含主要成分Ｃ６０和Ｃ７０以外，还含有Ｃ７６、Ｃ７８、Ｃ８２、Ｃ８４以及更高碳原子的富勒烯。     

铕和镧与吡啶－2，6－二甲酸配合物的NMR研究

合成了稀土铕、镧与吡啶－２，６二甲酸形成的二元配合物及铕与邻菲罗啉和吡啶－２，６二甲酸形成的三元配合物。经元素分析确定该配合物的组成分别为二元：Ｎａ３［Ｅｕ（ＤＰＣ）３］·２Ｈ２Ｏ，Ｎａ３［Ｌａ（ＤＰＣ）３］·２Ｈ２Ｏ；三元：ＮａＥｕ（ＤＰＣ）２·ｐｈｅｎ·４Ｈ２Ｏ。用核磁共振研究了配体与稀土的配位方式，讨论了诱导效应、屏蔽效应及稀土离子的顺磁性对配合物化学位移和ＮＭＲ谱图的影响。ＮＭＲ研究表明，三种配合物具有相似的对称结构和相同的化学位移变化规律。吡啶－２，６二甲酸中的羧酸以单齿配位（整个分子为三齿配位），二元配合物中，铕和镧的配位数均为９，三元配合物中，铕的配位数最低为８。     

Pt羰基簇合物在NaY内的合成机理

利用IR，EXAFS, ~(13)CO同位素交换反应及与NO作用等手段研究了Pt羰基簇合物[Pt_3(CO)_6]~(2-)_n(n＝3,4)在NaY分子筛超笼内的合成机理．在氧化样品Pt~(2+)/NaY上300－373 K的还愿羰基化过程中，首先Pt~(2+)与CO反应生成PtO(CO)物种(波数σ_(CO)＝2110 cm~(-1))，然后聚集成“Pt_3(CO)_6”(σ_(CO)＝2112，1896和1841 cm~(-1))，最后生成深绿色的Pt羰基簇合物Pt_(12)(CO)_(24)]~(2-)/NaY(σ_(CO)＝2080，1824 cm~(-1))．“Pt_3(CO)_6”的羰基在室温下能迅速地与~(13)CO发生交换，而[Pt_3(CO)_6]~(2-)_n(n＝3,4)的羰基与~(13)CO的同位素交换即使在343 K也进行得很慢，室温下，NO能逐步破坏Pt羰基簇合物的层间和层内Pt－Pt键，得到中间物种“Pt_3(CO)_6”和PtO(CO)，同时在气相产生CO_2和N_2O．而由上述两中间物种出发，300－353 K温度下，在CO气氛中的还原羰基化又能可逆地得到原羰基簇合物．     

酚醛树脂固化过程的红外光谱分析

利用红外光谱(IR)及其变温样品池、定量分析程序对酚醛树脂固化过程中的结构变化进行了研究,它对于酚醛树脂固化过程的质量控制具有重要意义。     

Molecular Recognition Study on a Supramolecular System. Part 21. Inclusion Complexation Thermodynamics of Aliphatic Alcohols by Organoselenium Modified β-Cyclodextrins

The spectrophotometric titrations have beenperformed at 25–40 °C in aqueous solution to give the complexstability constants and the thermodynamic parametersfor the stoichiometric 1 : 1 inclusion complexation ofvarious aliphatic alcohols withmono[6-(phenylseleno)-6-deoxy]--cyclodextrin (2),mono[6-(o-, m-,p-tolylseleno)-6-deoxy]--cyclodextrin (3–5),mono[6-(p-chloro-phenyl-seleno)-6-deoxy]--cyclodextrin(6), mono[6-(benzylseleno)-6-deoxy]--cyclodextrin (7) and mono[6-(naphthaleneseleno)-6-deoxy]--cyclodextrin(8). On thebasis of the present and previous results, themolecular binding abilities and selectivities forguest aliphatic alcohols of the host -cyclodextrinderivatives (2–8) are discussed comparatively and globallyfrom the thermodynamic point of view. Thethermodynamic parameters obtained are criticalfunctions of the size/shape of aliphatic alcohols, andthe position and type of the substituent introduced tothe aromatic ring of -cyclodextrin's sidearm,which are elucidatedin terms of the conformational, electrostatic,hydrogen-bonding, and hydrophobic effects.