Correlation analysis of the structures and pK(a) values of carboxylic acids

The quantum-chemical descriptors were used for QSPR study of the structures of carboxylic acids and their pK(a) values. The algorithm of "Leaps and Bounds" regression was performed for selection of the variables. The CoMFA method was carried out for 3D-QSPR. As the introduction of the charge of oxygen atom(Q(2)), the results obtained by CoMFA were improved greatly.

Determination of surface pK(a) of HS(CH2)(10)COOH SAMs using an electrochemical titration method

The self-assembled monolayer(SAM) of 11-mercaptoundecanoic acid [HS(CH2)(10)COOH] was formed on a gold electrode and the effect of the charge of end group on the electrochemical response of Fe(CN)(6)(3-) at the SAM modified electrode was studied by cyclic voltammetry. At high pH, when the -COOH groups are dissociated, the current of Fe(CN)(6)(3-) is suppressed; as the solution pH is lowered, the current of Fe(CN)(6)(3-) increases. The electrochemical titration curve was obtained by correlating the currents of Fe(CN)(6)(3-) to the different pH values of electrolyte, from which the surface pK(a) was obtained to be 3. 0+/-0. 2. Furthermore, the reason of small pK(a) value was explained using SAMs of different surface coverage.

Determination of surface pK(a) of SAM using an electrochemical titration method

A self-assembled monolayer (SAM) of 3-mercaptopropionic acid (HSCH2CH2COOH) was formed on a gold electrode. The effect of the charge of the end group on the electrochemical response of Fe(CN)(6)(3-) at the SAM modified electrode was studied by using cyclic voltammetry. At high pH, when the -COOH groups are dissociated, Fe(CN)(6)(3-) current is suppressed; as the solution pH is lowered, Fe(CN)(6)(3-) current increases. The electrochemical titration curve was obtained by correlating the currents to the different electrolyte pH values, from which the surface pK(a) was obtained to be 5.2+/-0.1. Furthermore, a calculation equation was presented to simulate the electrochemical titration. As comparison, the surface pK(a) was also measured by contact angle titration as 5.6+/-0.1. The surface pK(a) values determined by the two methods in our work are consistent and accurate.

Cyclic Deformation Of Nanocrystalline And Ultrafine-Grained Nickel

The cyclic deformation behavior Of ultrafine-grained (UFG) Ni samples synthesized by the electrodeposition method was studied. Different from those made by severely plastic deformation, the UFG samples used in this study are characterized by large-angle grain boundaries. Behaviors from nanocrystalline Ni and coarse-grained Ni samples were compared with that Of Ultrafine-grained Ni. With in situ neutron diffraction. unusual evolutions of residual lattice strains as well as cyclic hardening and softening behavior were demonstrated during the cyclic deformation. The microstructural changes investigated by TEM are discussed with respect to the unusual lattice strain and cyclic hardening/softening. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

淡水鱼类粘孢子虫的18S rDNA分子系统学研究

利用两个通用引物myxoF(5′ CGCGGTAATTCCAGCTCCAGTAG 3′)和myxoR(5′ ACCAGGTAAGTTTTCCCGTGTTGA 3′)成功扩增出圆形碘泡虫、全圆碘泡虫、武汉单极虫、微山尾孢虫和库班碘泡虫 5种粘孢子虫的部分 18SrDNA序列 ,其GenBank登录号为 :AY16 5 179—AY16 5 183。并结合GenBank其他 13个相关序列构建了 18个物种的分子系统树。结果表明 ,碘泡虫 ,尾孢虫和单极虫较Tetracapsulabryozoides和“PK

Effect of high dietary starch levels on the growth performance, blood chemistry and body composition of gibel carp (Carassius auratus var. gibelio)

An 8-week growth trial was carried out in a semi-recirculation system to investigate the effect of high dietary starch levels on the growth performance, blood chemistry, starch utilization and body composition of gibel carp (Carassius auratus var. gibelio). Five isonitrogenous and isocarloric experimental diets were formulated to contain different starch levels (24%, 28%, 32%, 36% and 40% respectively). Triplicate groups of fish (24 fish per tank with an average body weight, of 8.5 g) were assigned to each diet. The results showed that dietary carbohydrate levels significantly affected the growth performance, hepatopancreatic lipid content, pyruvate kinase (PK) activity and whole-body lipid content. Growth performance, body crude lipid and plasma glucose concentrations showed a decreasing trend with an increase in dietary starch from 24% to 40%. Pyruvate kinase activities and hepatopancreatic lipid content showed an increasing trend with the dietary starch increasing from 24% to 32%, and then a decreasing trend with the dietary starch increasing from 32% to 40%. No significant difference in the hepatopancreatic hexokinase (HK) activity, plasma triglyceride contents, body crude protein, ash and calcium (Ca) and phosphorus (P) contents was observed between different treatments. In conclusion, higher dietary starch levels (32-40%) significantly (P < 0.05) decreased the growth of gibel carp in the present study.

Effect of dietary carbohydrate sources on growth performance and utilization for gibel carp (Carassius auratus gibelio) and Chinese longsnout catfish (Leiocassis longirostris Gunther)

The nutritional function of monosaccharides, disaccharides and polysaccharides for omnivorous gibel carp and carnivorous Chinese longsnout catfish were investigated and the ability of these two species to utilize carbohydrates was compared. For each species, triplicate groups of fish were assigned to each of five groups of isoenergetic and isonitrogenous experimental diets with different carbohydrate sources: glucose, sucrose, dextrin, soluble starch (acid-modified starch) and alpha-cellulose. The carbohydrates were included at 60 g kg(-1) in Chinese longsnout catfish diets and at 200 g kg(-1) in gibel carp diets. A growth trial was carried out in a recirculation system at 27.8 +/- 1.9 degrees C for 8 weeks. The results showed that fish with different food habits showed difference in the utilization of carbohydrate sources. For gibel carp, better specific growth rate (SGR) and feed efficiency (FE) were observed in fish fed diets containing soluble starch and cellulose, but for Chinese longsnout catfish, better SGR and FE were observed in fish fed diets containing dextrin and sucrose. Apparent digestibility coefficient of dry matter (ADC(d)) and apparent digestibility coefficient of energy (ADC(e)) were significantly affected by dietary carbohydrate sources in gibel carp. ADC(d) and ADC(e) significantly decreased as dietary carbohydrate complexity increased in Chinese longsnout catfish except that glucose diet had medium ADC(d) and ADC(e). In both species, no significant difference of apparent digestibility coefficient of protein was observed between different carbohydrate sources. Dietary carbohydrate sources significantly affected body composition, and liver phosphoenolpyruvate carboxykinase (PEPCK), pyruvate kinase (PK), glucose 6-phosphate dehydrogenase (G6PD) and malic enzyme (ME) activities also varied according to dietary carbohydrate complexity. Fish with different food habits showed different abilities to synthesize liver glycogen, and the liver glycogen content in gibel carp was significantly higher than in Chinese longsnout catfish. The influence of carbohydrate source on gluconeogenesis and lipogenesis was also different in the two fish species.

Role of interface dipole in metal gate/high-k effective work function modulation by aluminum incorporation

The interface dipole and its role in the effective work function (EWF) modulation by Al incorporation are investigated. Our study shows that the interface dipole located at the high-k/SiO2 interface causes an electrostatic potential difference across the metal/high-k interface, which significantly shifts the band alignment between the metal and high-k, consequently modulating the EWF. The electrochemical potential equalization and electrostatic potential methods are used to evaluate the interface dipole and its contribution. The calculated EWF modulation agrees with experimental data and can provide insight to the control of EWF in future pMOS technology.

A power-saving scheme for IEEE 802.11 Ad hoc networks

In the Wireless Local Area Networks (WLANs), the terminals are often powered by battery, so the power-saving performance of the wireless network card is a very important issue. For IEEE 802.11 Ad hoc networks, a power-saving scheme is presented in Medium Access Control (MAC) layer to reduce the power consumption by allowing the nodes enter into the sleep mode, but the scheme is based on Time-Drive Scheme (TDS) whose power-saving efficiency becomes lower and lower with the network load increasing. This paper presented a novel energy-saving mechanism, called as Hybrid-Drive Scheme (HDS), which introduces into a Message.-Drive Scheme (MDS) and combines MDS with the conventional TDS. The MDS, could obtain high efficiency when the load is heavy; meanwhile the TDS has high efficiency when the network load is small. The analysis shows that the proposed HDS could obtain high energy-efficiency whether the network load is light or heavy and have higher energy-saving efficiency than conventional scheme in the IEEE 802.11 standard.

Electroluminescence behavior of ZnO/Si heterojunctions: Energy band alignment and interfacial microstructure

n-ZnO/p-Si heterojunction light-emitting diodes (LEDs) show weak defect-related electroluminescence (EL). In order to analyze the origin of the weak EL, the energy band alignment and interfacial microstructure of ZnO/Si heterojunction are investigated by x-ray photoelectron spectroscopy. The valence band offset (VBO) is determined to be 3.15 +/- 0.15 eV and conduction band offset is -0.90 +/- 0.15 eV, showing a type-II band alignment. The higher VBO means a high potential barrier for holes injected from Si into ZnO, and hence, charge carrier recombination takes place mainly on the Si side rather than the ZnO layer. It is also found that a 2.1 nm thick SiOx interfacial layer is formed at the ZnO/Si interface. The unavoidable SiOx interfacial layer provides to a large number of nonradiative centers at the ZnO/Si interface and gives rise to poor crystallinity in the ZnO films. The weak EL from the n-ZnO/p-Si LEDs can be ascribed to the high ZnO/Si VBO and existence of the SiOx interfacial layer.

Improved electroluminescence from n-ZnO/AlN/p-GaN heterojunction light-emitting diodes

n-ZnO/p-GaN heterojunction light-emitting diodes with and without a sandwiched AlN layer were fabricated. The electroluminescence (EL) spectrum acquired from the n-ZnO/p-GaN displays broad emission at 650 nm originating from ZnO and weak emission at 440 nm from GaN, whereas the n-ZnO/AlN/p-GaN exhibits strong violet emission at 405 nm from ZnO without GaN emission. The EL intensity is greatly enhanced by inserting a thin AlN intermediate layer and it can be attributed to the suppressed formation of the GaOx interfacial layer and confinement effect rendered by the AlN potential barrier layer.

Effects of Hydrogen Plasma Treatment on the Electrical and Optical Properties of ZnO Films: Identification of Hydrogen Donors in ZnO

Wurtzite ZnO has many potential applications in optoelectronic devices, and the hydrogenated ZnO exhibits excellent photoelectronic properties compared to undoped ZnO; however, the structure of H-related defects is still unclear. In this article, the effects of hydrogen-plasma treatment and subsequent annealing on the electrical and optical properties of ZnO films were investigated by a combination of Hall measurement, Raman scattering, and photoluminescence. It is found that two types of hydrogen-related defects, namely, the interstitial hydrogen located at the bond-centered (H-BC) and the hydrogen trapped at a O vacancy (H-O), are responsible for the n-type background conductivity of ZnO films. Besides introducing two hydrogen-related donor states, the incorporated hydrogen passivates defects at grain boundaries. With increasing annealing temperatures, the unstable H-BC atoms gradually diffuse out of the ZnO films and part of them are converted into H-O, which gives rise to two anomalous Raman peaks at 275 and 510 cm(-1). These results help to clarify the relationship between the hydrogen-related defects in ZnO described in various studies and the free carriers that are produced by the introduction of hydrogen.

盐和有机物对氨基酸热力学性质的影响-NaCl氨基酸-葡萄糖-水体系

在278.15-318.15范围内，本文测定了以下四个无液接电池的电动势：Pt,H_2(g, 1 atm)|HCl(m)、X Mass% Glucose-H_2O|Ag-AgCl (A) Pt,H_2 (g, 1 atm)|G(m_1), HGCl (m_2), X Mass% Glucose-H_2O|Ag-AgCl (B) Pt,H_2 (g, 1 atm) |HCl (m), NaCl (M-m), X Mass% Glucose-H_2O|Ag-AgCl (C) Pt,H_2 (g, 1 atm)|G(m_1), HGCl (m_2), NaCl (M-m), X Mass% Glucose-H_2O|Ag-AgCl (D) 其中G为中性甘氨酸，NH_3CH_2COO~-, HGClm为甘氨酸的盐酸盐，为相应电解质的质量摩尔浓度，X为葡萄糖在葡萄糖-水混合溶剂中的质量百分数，M为恒定的离子强度且M = 1.0mol/kg。并且测定了Glucose-H_2O的密度和介电常数。利用传统的D-H公式外推法和基于Pitzer理论的多项式逼近法分别确定了电池的标准电动势E°_3、E°_3，以及甘氨酸的一级热力学解离1.0mol/kg）-葡萄糖-水-HCl的HCl无限稀释溶液为参考态，并将两种方法得到的结果作了比较。甘氨酸的一级热力学解离常数符合Harned-Robinson方程：pK = A_1/T + A_2 + A+3 T 本文讨论了盐和有机物对pK_1的影响，并根据前人及我们的工作，指出在极性质子溶剂中和在极性非质子溶剂中的pK_1对1/D作图，分别得到直线和曲线。同时讨论了混合溶剂中甘氨酸的一级解离过程的各个热力学量ΔG°，ΔH°，ΔS°，ΔCp°，并讨论HCl的迁移性质和有机物葡萄糖、盐对它们的影响。最后将不同混合溶剂中甘氨酸解离过程的迁移能，迁移熵等作了比较。

Long-wavelength SiGe/Si MQW resonant-cavity-enhanced photodetectors (RCE-PD) for application in optical fiber communication network

　

MOCVD growth of high quality crack-free GaN on Si(III) substrates

High quality crack free GaN epilayers were grown on Si(111) substrates. Low temperature AlN interlayer grown under low V/III ratio was used to effectively eliminate the formation of micro-cracks. It is found that tensile stress in the GaN epilayer decreases as the N/Al ratio decreases used for AlN interlayer growth. The high optical and structural qualities of the GaN/Si samples were characterized by RBS, PL and XRD measurements. The RT-PL FWHM of the band edge emission is only 39.5meV The XRD FWHM of the GaN/Si sample is 8.2arcmin, which is among the best values ever reported.