Application of 1,10-phenanthroline for preconcentration of selected heavy metals on silica gel

Stripping voltammetry analysis using a hemispheroidal mercury microelectrode has been previously assessed theoretically as a possible candidate ‘primary method’ for amount of substance measurement. It was shown that the measurement methodology can be described completely by a set of measurement equations when a novel quantification process is employed to measure the steady-state diffusion-limited deposition current over an optimum sampling time, instead of employing an analyte stripping step. The corollary is that, for solutions of known composition, the method may be used for highly accurate determination of diffusion coefficients. This investigation uses experimental data from steady-state diffusion-limited current measurements with sampling periods optimised using Allan deviation techniques, together with a full uncertainty analysis to estimate feasibility and likely accuracy of this method.     

On the relative stability of cobalt‐ and nickel‐based amidinate complexes against β‐migration

We present a first‐principles study on the relative stability of cobalt‐ and nickel‐based amidinate complexes against β‐migration using density functional theory. Factors that influence the reactivity of these compounds were carefully addressed and the calculated molecular structures are in excellent agreement with the available crystal structural data. Reaction energies as well as activation barriers of β‐migration were evaluated. The predicted relative stability of the selected compounds is consistent with experimental observations. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2009     

Simultaneous Determination of Main Bioactive Components in Rosa multiflora Thunb. and Their Fragmentation Study by LC–MS

Five naturally bioactive compounds, belonging to the representative flavonoid and pentacyclic triterpenoid types, were separated by liquid chromatography and analyzed on-line with negative ion ESI–MS. Rutin, quercetin, and oleanolic acid in the extracts of Rosa multiflora Thunb. of China were identified by the comparison of their retention times and mass spectrometric data with those of authentic standards, and their contents were 0.22, 3.8, and 45 µg g^?1 of dry weight in rose hips, respectively. Five standards, including rutin, quercetin, kaempferol, lysionotin, and oleanolic acid were investigated by MS³, which facilitate further understanding of their structures.     

Microwave-assisted one-pot synthesis of 3-substituted-3,4-dihydrocoumarins via tendem Konevenagel and Hantzsch reactions

A convenient route for the synthesis of 3,4-dihydrocoumarin derivates from salicylaldehyde derivates and 1,3-dicarbonyl compounds under solvent-free microwave irradiation conditions was described. In this way, a range of compounds was obtained in moderate to good yields in a short reaction time.     

UV Photodissociation Dynamics of Nitric Acid： The Hydroxyl Elimination Channel

Sliced velocity mapping ion imaging technique was employed to investigate the dynamics of the hydroxyl elimination channel in the photodissociaiton of nitric acid in the ultraviolet region. The OH product was detected by （2＋1） resonance enhanced multiphoton ionization via the D^2∑^- electronic state. The total kinetic energy spectra of the OH＋NO2 channel from the photolysis of HONO2 show that both ：NO2（X2A1） and NO2（A2B2） channels are present, suggesting that both 1^1A″ and 2^1A″ excited electronic states of HONO2 are involved in the excitation. The parallel angular distributions suggest that the dissociation of the nitric acid is a fast process in comparison with the rotational period of the HNO3 molecule. The anisotropy parameter β for the hydroxyl elimination channel is found to be dependent on the OH product rotational state as well as the photolysis energy.     

基于代表性频率的介电谱解析形式

基于电介质复折射率的实验数据,采用晟小二乘法结合选取的代表频率拟合得到了电介质的介电谱解析表达式,可以得到电介质在全频段的光频常数和介电常数．研究了三个典型液态电介质,水、乙醇和甲苯的介电谱．在实验数据可以获取的频率范围内,采用解析表达式得到的光频常数与采用Kramers—Kronig转换得到的折射率实部和实验得到的折射率虚部吻合得很好．基于介电谱解析表达式可以预测目前实验无法测量的区域的介电谱．     

Model‐based design and synthesis of gradient MMA/tBMA copolymers by computer‐programmed semibatch atom transfer radical copolymerization

Methyl methacrylate (MMA)/tert‐butyl methacrylate (tBMA) gradient copolymers having linear and hyperbolic composition profiles were synthesized. These special copolymer products were achieved via a model‐based computer‐controlled semibatch atom transfer radical copolymerization (ATRcoP) process. A simple ATRcoP model was developed based on the terminal model. The equilibrium constants in the ATRP of MMA and tBMA were estimated by the data correlation. The model was verified by batch experiments and was found to give good correlation for the polymerization rate, molecular weight, and copolymer composition data. The model coupled with a reactor model was then applied to the semibatch ATRcoP and was used to calculate comonomer feeding rates for the targeted gradient composition profiles. It was found that the experimental monomer conversion, molecular weight, and cumulative copolymer composition were in good agreement with their targeted theoretical values. The gradient copolymers had low polydispersities close to 1.1. This work demonstrated the feasibility of the model‐based semibatch ATRcoP in fine‐tuning gradient copolymer composition profiles. © 2008 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 69–79, 2009     

热化学循环分解水制氢研究进展

热化学循环分解水制氢是利用核能或太阳能进行大规模、无污染制氢的有前景的方法 ,已经提出了多种流程.本文对热化学制氢流程及其评价标准进行了综述,重点介绍了碘硫循环、UT-3循环和Westinghouse循环等先进流程的研究进展.     

基于背景原型对比度的显著性物体检测

针对传统显著性模型在自然图像的显著性物体检测中存在的缺陷,提出了一种利用背景原型(background prototypes)进行对比的视觉关注模型,以实现显著性物体的检测与提取;传统显著性模型主要通过计算区域中心与四周区域差异性实现显著性检测,而自然场景中显著性区域和背景区域往往都存在较大差异,导致在复杂图像中难以获得理想检测效果;基于背景原型对比度的显著性物体检测方法在图像分割生成的超像素图基础上,选择距离图像中心较远的图像区域作为背景原型区域,通过计算图像中任意区域与这些背景原型区域的颜色对比度准确检测和提取图像中的显著性物体;实验结果表明,基于背景原型对比度的显著性模型可以更好地滤除杂乱背景,产生更稳定、准确的显著图,在准确率、召回率和F-measure等关键性能和直观视觉效果上均优于目前最先进的显著性模型,计算复杂度低,利于应用推广。