206 resultados para Route optimization


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We have optimized the settings of evanescent wave imaging for the visualization of a protein adsorption layer. The enhancement of the evanescent wave at the interface brought by the incident angle, the polarized state of light beam as well as a gold layer is considered. In order to improve the image contrast of a protein monolayer in experiments, we have optimized three factors-the incident angle, the polarization of light beam, and the thickness of an introduced thin gold layer with a theoretical simulation.

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从新几内亚核桃木的树皮中分离得到的吲哚类喹诺里西定生物碱10-Desbromoarborescidine A,因发现其具有阻滞钙离子通道的活性而倍受关注。10-Desbromoarborescidine A由A、B、C、D四个环组成,只有一个手性中心,是吲哚生物碱中结构较简单的一种,常作为此类生物碱全合成方法的模型化合物。但迄今为止,能高效而简便的实现手性10-Desbromoarborescidine A不对称全合成方法线路不多,大多数以不对称诱导的方式建立其手性中心,手性催化的方式仅有一例金属催化。从逆合成分析可知,Desbromoarborescidine A的全合成可以通过亚胺不对称催化还原进行关键的手性中心构建,而本课题组在之前的研究中通过手性有机小分子催化剂的发展,已将三氯硅烷氢转移还原亚胺发展成了一类简便实用、高效、高对映选择性并具有优良底物适应范围的不对称催化反应,我们希望以这一反应作为关键手段,发展一条Desbromoarborescidine A及其类似物不对称合成新路线。 根据我们设计的新路线,首先成功合成了其关键中间体,然后我们进行了关键的不对称催化尝试。用本实验室已有的高性能有机小分子催化剂虽得到了较好的对应选择性,但是产率很低。同时,为了验证整条线路的可行性,我们也用消旋的中间体进行拉通线路的尝试。但不幸的是,在脱除保护基时遇到了很大困难。尝试换不同的保护基,或改变脱保护基的顺序,都未能成功合成目标产物。究其原因可能是由于吲哚的特殊性造成的,吲哚类亚胺与常规的芳香亚胺有较大的差异,其NH基团无论保护还是不保护,对与其2位相联接的C=N双键均有很大的影响,导致其不对称催化还原难以进行。另外,由于所设计的还原产物含有处在吲哚苄位的胺基,稳定性较差,造成保护基脱除困难。 烯胺C-亚磺酰化反应是本课题组最近发现的一个新反应,之前未见文献报道。本研究对该反应进行了反应条件优化和底物扩展,发现带Cbz,Ac,COt-Bu,CO2Et,Bz等保护基的一系列环状和非环状烯胺在亚磺酸钠、DMAc和MeSiCl3的共同作用下能高效高产率生成β-胺基烯基亚砜类新化合物,为合成多官能团化的烯基亚砜新化合物提供了一条简便实用的途径。 The main constituent of Dracontomelum mangiferum B1, indoloquinolizidine alkaloid 10-Desbromoarborescidine A, has drawn great attention due to its calcium channel blocking activity. Its molecular structure is relatively simple compared with the other alkaloids of the same type, which has only one chiral center, albeit with four cycles A, B, C, and D. This compound is often used as a model target for exploring different strategies for the total synthesis of indole alkaloids. Nevertheless, so far there still lack practical and highly efficient methods for the asymmetric total synthesis of 10-Desbromoarborescidine A. Most of the current available methods rely on stoichiometric asymmetric synthesis for the construction of the chiral center. There is only one example reporting utilization of asymmetric catalysis, but with transition metal complex as the catalyst. Our retrosynthetic analysis shows that catalytic asymmetric reduction of imine could be used as the key step for the construction of the chiral center of Desbromoarborescidine A. Since in the previous studies our group has developed the asymmetric reduction of imines by trichlorosilane into a practical and highly efficient and enantioselective method using newly designed chiral organocatalysts, we hope to apply this method to develop a novel synthetic route for the total synthesis of Desbromoarborescidine A and its analogues in this study. According to the newly designed synthetic route, we first accomplished the synthesis of the key intermediates which was then examined for the critical asymmetric catalysis. The asymmetric reduction using the highly efficient organocatalysts, developed in our lab afforded high ee but poor yield. We tried different reaction conditions to improve the yield, but failed to get any good results. Simultaneously, to vertify the feasibility of the synthetic route we designed, we also tired to go through the route toward the racemic synthesis of Desbromoarborescidine A. But unfortunately, protection and deprotection proved to be big hurdles. All the different protection groups and different sequences of protection and deprotection we tried failed to get us through the designed synthetic sequence and furnish the final product. Most likely, the indole part is the culprit behind the failures.The NH group of the indole, no matter protected or not, may impact the catalytic asymmetric reduction of C-N double bond connected with 2-C. Additionally, the reduction product we designed contains an amino group in the β-position of the indole, which may cause problems due to its instability. C-sulfenylation of enamines is a novel reaction discovered recently by our group, which has not been seen before in the literature. In this study, optimization of the reaction conditions and exploration of the substrate scope were further undertaken for this reaction, which reveal that a series of enamines with N-Cbz, Ac, COt-Bu, CO2Et protection groups could all undergo smooth C-sulfinylations with the comined use of sodium benzene sulphinate, DAMc and MeSiCl3, efficiently furnishing the β-amino vinylsulfoxide products in high yield, affording a practical and highly efficient methods for synthesis of functional vinylsulfoxides.

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Magnetic nanoparticles of nickel ferrite (NiFe2O4) have been synthesized by co-precipitation route using stable ferric and nickel salts with sodium hydroxide as the precipitating agent and oleic acid as the surfactant. X-ray diffraction (XRD) and transmission electron microscope (TEM) analyses confirmed the formation of single-phase nickel ferrite nanoparticles in the range 8-28 nm depending upon the annealing temperature of the samples during the synthesis. The size of the particles (d) was observed to be increasing linearly with annealing temperature of the sample while the coercivity with particle size goes through a maximum, peaking at similar to 11 nm and then decreases for larger particles. Typical blocking effects were observed below similar to 225 K for all the prepared samples. The superparamagnetic blocking temperature (T-B) was found to be increasing with increasing particle size that has been attributed to the increased effective anisotropy energy of the nanoparticles. The saturation moment of all the samples was found much below the bulk value of nickel ferrite that has been attributed to the disordered surface spins or dead/inert layer in these nanoparticles. (c) 2008 Elsevier B. V. All rights reserved.

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Magnetic nanoparticles of nickel substituted cobalt ferrite (NixCo1-xFe2O4:0 <= x <= 1) have been synthesized by co-precipitation route. Particles size as estimated by the full width half maximum (FWHM) of the strongest X-ray diffraction (XRD) peak and transmission electron microscopy (TEM) techniques was found in the range 18-28 +/- 4 nm. Energy dispersive X-ray (EDX) analysis confirms the presence of Co, Ni, Fe and oxygen as well as the desired phases in the prepared nanoparticles. The selective area electron diffraction (SAED) analysis confirms the crystalline nature of the prepared nanoparticles. Data collected from the magnetization hysteresis loops of the samples show that the prepared nanoparticles are highly magnetic at room temperature. Both coercivity and saturation magnetization of the samples were found to decrease linearly with increasing Ni-concentration in cobalt ferrite. Superparamagnetic blocking temperature as determined from the zero field cooled (ZFC) magnetization curve shows a decreasing trend with increasing Ni-concentration in cobalt ferrite nanoparticles. (C) 2009 Elsevier B.V. All rights reserved.

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Magnetic nanoparticles of Ni-doped cobalt ferrite [Co1-xNixFe2O4(0 <= x <= 1)] synthesized by coprecipitation route have been studied as a function of doping concentration (x) and particle size. The size of the particles as determined by X-ray diffractometer (XRD) and transmission electron microscope (TEM) analyses was found in the range 12-48 nm. The coercivity (H-C) and saturation magnetization (M-S) showed a decreasing behavior with increasing Ni concentration. M-S of all the samples annealed at 600 degrees C lies in the range 65.8-13.7 emu/gm. Field-cooled (FC) studies of the samples showed horizontal shift (exchange bias) and vertical shift in the magnetization loop. Strong decrease in exchange bias (H-b) and vertical shift (delta M) was found for low Ni concentrations while negligible decrease was found at higher concentrations. The presence of exchange bias in the low Ni-concentration region has been explained with reference to the interface spins interaction between a surface region (with structural and spin disorder) and a ferrimagnetic core region. M(T) graphs of the samples showed a decreasing trend of blocking temperature (T-b) with increasing Ni concentration. The decrease of T-b with increasing Ni concentration has been attributed to the lower anisotropy energy of Ni+2 ions as compared to Co+2 that increases the probability of the jump across the anisotropy barrier which in turn decreases the blocking temperature of the system.

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High homogeneity of the CR (collector ring) dipole magnet for FAIR (Facility for Antiproton and Ion Research) project at GSI is essential. The two optimized and analysis methods are introduced in detail. In order to obtain an ideal integral magnetic field distribution, the complicated end chamfer has been designed. By chamfering the removable pole, the distribution tolerance of high magnetic field is optimized to +/- 2 x 10(-4). The method of adding a mirror plane is suitable for the high magnetic field and it doesn't fit the low one. The OPERA is used to optimize the dipole magnetic field.

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Treatment planning of heavy-ion radiotherapy involves predictive calculation of not only the physical dose but also the biological dose in a patient body. The goal in designing beam-modulating devices for heavy ion therapy is to achieve uniform biological effects across the spread-out Bragg peak (SOBP). To achieve this, a mathematical model of Bragg peak movement is presented. The parameters of this model have been resolved with Monte Carlo method. And a rotating wheel filter is designed basing on the velocity of the Bragg peak movement.

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The optimized design of magnetic field for a cold yoke superconducting solenoid is introduced in this paper. Using some kinds of optimization designs and OPERA, we optimize the main solenoid, cold yoke and compensated winding. Through this design, the requests of the superconducting solenoid are realized.

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A new gas delivery system is designed and installed for HIRFL-CSR cluster target. The original blocked nozzle is replaced by a new one with the throat diameter of 0.12mm. New test of hydrogen and argon gases are performed. The stable jets can be obtained for these two operation gases. The attenuation of the jet caused by the collision with residual gas is studied. The maximum achievable H-2 target density is 1.75x10(13) atoms/cm(3) with a target thickness of 6.3x10(12) atoms/cm(2) for HIRFL-CSR cluster target. The running stability of the cluster source is tested both for hydrogen and argon. The operation parameters for obtaining hydrogen jet are optimized. The results of long time running for H-2 and Ar cluster jets look promising. The jet intensity has no essential change during the test for H-2 and Ar.

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介绍了Super-FRS超导二极磁铁的磁场优化和端部削斜方案,采用OPERA软件对活极头进行削斜计算,得出合理的活极头尺寸,使各场下的积分均匀度在要求范围内达到了±2×10-4。最后将计算的积分场均匀度与磁场测量的结果进行比较,结果吻合得较好,验证了这种端部活极头优化计算方法的正确性。

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A linear accelerator as a new injector for the SSC (Separated Sector Cyclotron) of the HIRFL (Heavy ton Research Facility Lanzhou) is being designed. The DTL (Drift-Tube-Linac) has been designed to accelerate U-238(34+) from 0.140 MeV/u to 0.97 MeV/u. To the first accelerating tank which accelerates U-238(34+) to 0.54 MeV/u, the approach of Alternating-Phase-Focusing (APF) is applied. The phase array is obtained by coupling optimization software Dakota and beam optics code LINREV. With the hybrid of Multi-objective Genetic Algorithm (MOGA) and a pattern search method, an optimum array of asynchronous phases is determined. The final growth, both transversely and longitudinally, can meet the design requirements. In this paper, the deign optimization of the APF DTL is presented.

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The traditional design of accelerator magnet usually involves many time consuming iterations of the manual analysis process. A software platform to do these iterations automatically is proposed in this paper. In this platform, we use DAKOTA (a open source software developed by Sandia National Laboratories) as the optimizing routine, which provides a variety of optimization methods and algorithms, and OPERA (software from Vector Fields) is selected as the electromagnetic simulating routine. In this paper, two examples of designs of accelerator magnets are used to illustrate how an optimization algorithm is chosen and the platform works.