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1.
The efficient acid catalytic synthesis of pyrazolo [3,4-d]pyrimidine was developed by treating 1H-pyrazol-5-yl-N,N-dimethylformamidine with various aminating agents including N,O-bis(trimethylsilyl)hydroxylamine (NHSiMe3(OSiMe3)), cyanamide (NH2CN), hydroxylamine (NH2OH), methoxyamine (NH2OMe), hydrazine (NH2NH2), and urea (NH2C(O)NH2) in acidic solution at reflux. Based on the experimental result, cyanamide (NH2CN) and methanesulfonic acid were indicated the best aminating agent and acid mediated solvent. On the other hands, the reactivity tendency was involved the activity of original leaving species grafting on the aminating agents, such as –OH, –OMe, –OSiMe3, –NH2, –OSiMe3, –C(O)NH2, and –CN, in acid catalytic heterocyclic reaction.  相似文献   
2.
A novel fitness sharing method for MOGA (Multi-Objective Genetic Algorithm) is proposed by combining a new sharing function and sided degradations in the sharing process, with preference to either of two close solutions. The modified MOGA adopting the new sharing approach is named as MOGAS. Three different variants of MOGAS are tested; MOGASc, MOGASp and MOGASd, favoring children over parents, parents over children and solutions closer to the ideal point, respectively. The variants of MOGAS are compared with MOGA and other state-of-the-art multi-objective evolutionary algorithms such as IBEA, HypE, NSGA-II and SPEA2. The new method shows significant performance improvements from MOGA and is very competitive against other Evolutionary Multi-objective Algorithms (EMOAs) for the ZDT and DTLZ test functions with two and three objectives. Among the three variants MOGASd is found to give the best results for the test problems.  相似文献   
3.
The purpose of this paper is to construct two superimposed optimization methods for solving the mixed equilibrium problem and variational inclusion. We show that the proposed superimposed methods converge strongly to a solution of some optimization problem. Note that our methods do not involve any projection.  相似文献   
4.
In this paper we analyze the warm-standby M/M/R machine repair problem with multiple imperfect coverage which involving the service pressure condition. When an operating machine (or warm standby) fails, it may be immediately detected, located, and replaced with a coverage probability c by a standby if one is available. We use a recursive method to develop the steady-state analytic solutions which are used to calculate various system performance measures. The total expected profit function per unit time is derived to determine the joint optimal values at the maximum profit. We first utilize the direct search method to measure the various characteristics of the profit function followed by Quasi-Newton method to search the optimal solutions. Furthermore, the particle swarm optimization (PSO) algorithm is implemented to find the optimal combinations of parameters in the pursuit of maximum profit. Finally, a comparative analysis of the Quasi-Newton method with the PSO algorithm has demonstrated that the PSO algorithm provides a powerful tool to perform the optimization problem.  相似文献   
5.
In this paper, we will propose a passive automatic exposure mechanism. Different from general automatic exposure mechanism, the passive exposure mechanism directly searches suitable exposure images through the content of images. As exposure is one of the main factors to successfully take pictures, how to find an accurate exposure value is an important issue. Passive automatic exposure is the new trend and key issue of image processing. We will experiment and prove that the method we propose is effective.  相似文献   
6.
The objective of this study was to develop nanofibrillated cellulose (NFC)-based substrate for rapid detection of melamine in milk by surface-enhanced Raman spectroscopy (SERS). NFC were served as a highly porous platform to load with gold nanoparticles (AuNPs), which can be used as a flexible SERS substrate with nanoscale roughness to generate strong electromagnetic field in SERS measurement. The NFC/AuNP substrate was characterized by UV–Vis spectroscopy and electron microscopy. Milk samples contaminated by different concentrations of melamine were measured by SERS coupled with NFC/AuNP substrate. The spectral data analysis was conducted by multivariate statistical analysis [i.e. partial least squares (PLS)]. Satisfactory PLS result for quantification of melamine in milk was obtained (R = 0.9464). The detection limit for melamine extracted from liquid milk by SERS is 1 ppm, which meets the World Health Organization’s requirement of melamine in liquid milk. These results demonstrate that NFC/AuNP substrate has improved homogeneity and can be used in SERS analysis for food safety applications.  相似文献   
7.
In this study, the distance‐dependent enhancement effect in surface‐enhanced Raman scattering (SERS) was explored with molecules bearing different lengths of conjugated double bonds. These conjugated molecules were synthesized utilizing the diazotization‐coupling reaction allowing a thio group on one end and a nitro group on the other end. The thiol group allows the probed molecule to chemisorb on the surface of silver nanoparticles (AgNPs). The opposite end of each molecule contains a nitro group, which gives an intense SERS signal to show a fair and accurate comparison of the effect of chain length. The obtained SERS intensities were correlated with the chain lengths of these synthesized molecules, which ranged from 0.6 to 2.0 nm between the nitro and thiol groups. Based on these results, the electromagnetic field effect was mainly responsible for the signal enhancements in SERS measurements. Also, the obtained signals were exponentially decayed due to the distances of the surface of AgNPs. Based on the SERS intensities of the conjugated molecules, the contribution of CT effect to SERS for these examined molecules were limited.  相似文献   
8.
宋德王  牛原  肖黎鸥  李丹 《计算物理》2012,29(2):277-284
采用基于密度泛函理论的第一性原理方法,研究Mn掺杂ZnS(110)表面的电子结构和磁性.计算分析不同掺杂组态的几何参数、形成能、磁矩、电子态密度以及电荷密度.结果表明:单个Mn原子掺杂,替位于表面第二层的Zn原子时体系形成能最低,说明该层是最稳定的掺杂位置.对于两个Mn原子的掺杂,当Mn与Mn之间呈反铁磁耦合时体系最稳定.体系的总磁矩和自由Mn原子的磁矩差别很小,但是Mn原子的局域磁矩却依赖于Mn原子的3d态和近邻S原子的3p态的杂化作用,即受周围S原子环境的变化影响较大.此外,分析电荷密度图得出Mn原子替换Zn原子后与S原子形成了更强的共价键.  相似文献   
9.
Aerobic oxidation of a series of 2,3-dihydro-1H-perimidines to the corresponding 4- and 6-perimidinones via visible light photoredox catalysis using Ru(bpy)32+ as a catalyst was reported. The scope and limitation of this oxidation were investigated and a possible photochemical mechanism was proposed.  相似文献   
10.
In this study,new types of hybrid gold poly(methyl methacrylate) (PMMA) nanomaterials are synthesized.Both PMMA spheres coated with gold nanoparticles and gold nanoparticles coated with PMMA can be synthesized using different ratios of HAuCl4 and MMA precursors,by exposing the mixtures to hard X-ray synchrotron radiation without the use of a reducing agent.According to the photochemical mechanism,gold nanoparticles will precipitate from a solution of HAuCl4 on exposure to synchrotron radiation,followed by the synthesis of PMMA by the polymerization of MMA monomers.These reactions can result in the formation of two different types of new hybrid nanomaterials.When a 1:1 volume ratio of HAuCl4 to MMA is used,we obtain PMMA spheres coated with gold nanoparticles.When a 10:1 ratio of HAuCl4 and MMA is used,we obtain gold nanoparticles coated with PMMA.The hybrid gold/PMMA nanostructures are characterized by transmission electron microscopy,elemental analysis,dynamic-light scattering analysis,gel permeation chromatography and Raman spectroscopy.The hybrid nanomateriais have potential application in the fields of biosensors and drug delivery.  相似文献   
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