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181.
182.
Juvocimene I is prepared by a non ambiguous synthesis based on the regioselective alkylation of 4-methylhexa-2,4-dienoic acid, and Wittig olefination of the aldehyde corresponding to the alkylated acid. 相似文献
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M. Elena Mart��n M. Luz S��nchez Jos�� C. Corchado Aurora Mu?oz-Losa Ignacio Fdez. Galv��n Francisco J. Olivares del Valle Manuel A. Aguilar 《Theoretical chemistry accounts》2011,128(4-6):783-793
The possible influence of the solvent Stark effect (SSE) on the solvatochromic shift in electron transitions has been analyzed by using the ASEP/MD (averaged solvent electrostatic potential from molecular dynamics) method. With this purpose, four molecules, two polar (acrolein and formaldehyde) and two non-polar (p-difluorobenzene and trans-difluoroethene) have been studied in solvents of diverse polarity. Independently of the nature of the system we found that the contribution of SSE on the average value of the solvent shift or on the multipole moment values is negligible. In the case of centro-symmetric molecules, our results permit to discard the SSE as cause of the solvent shift found, which must be assigned to the electrostatic interaction of the solute quadrupole and higher multipoles with the solvent. As the SSE values provide also a measure of the errors introduced by the mean field approximation (MFA), these results indicate that MFA permits a very accurate determination of the solvent shift at the same time that it reduces drastically the computational cost. Finally, a new procedure suited to the ASEP/MD method has been presented that permits to estimate the inhomogeneous broadening of spectral bands, complementing the information provided by mean field theories. This procedure does not need additional quantum calculations and its computational cost is minimal. 相似文献
185.
Point‐to‐Plane Nonhomogeneous Electric‐Field‐Induced Simultaneous Formation of Giant Unilamellar Vesicles (GUVs) and Lipid Tubes
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Chuntao Zhu Ying Zhang Yinan Wang Qingchuan Li Dr. Wei Mu Prof. Dr. Xiaojun Han 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(9):2906-2909
It is well‐known that homogeneous electric fields can be used to generate giant unilamellar vesicles (GUVs). Herein we report an interesting phenomenon of formation of GUVs and lipid tubes simultaneously using a nonhomogeneous electric field generated by point‐to‐plane electrodes. The underlying mechanism was analyzed using finite element analysis. The two forces play main roles, that is, the pulling force (F) to drag GUVs into lipid tubes induced by fluid flow, and the critical force (Fc) to prevent GUVs from deforming into lipid tubes induced by electric fields. In the center area underneath the needle electrode, the GUVs were found because F is less than Fc in that region, whereas in the edge area the lipid tubes were obtained because F is larger than Fc. The diffusion coefficient of lipid in the tubes was found to be 4.45 μm2 s?1 using a fluorescence recovery after photobleaching (FRAP) technique. The method demonstrated here is superior to conventional GUV or lipid tube fabrication methods, and has great potential in cell mimic or hollow material fabrication using GUVs and tubes as templates. 相似文献
186.
Dendronized Anionic Gold Nanoparticles: Synthesis,Characterization, and Antiviral Activity
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Cornelia E. Peña‐González Pilar García‐Broncano Prof. M. Francesca Ottaviani Dr. Michela Cangiotti Dr. Alberto Fattori Margarita Hierro‐Oliva Prof. M. Luisa González‐Martín Dr. Jorge Pérez‐Serrano Dr. Rafael Gómez Prof. M. Ángeles Muñoz‐Fernández Dr. Javier Sánchez‐Nieves Dr. F. Javier de la Mata 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(9):2987-2999
Anionic carbosilane dendrons decorated with sulfonate functions and one thiol moiety at the focal point have been used to synthesize water‐soluble gold nanoparticles (AuNPs) through the direct reaction of dendrons, gold precursor, and reducing agent in water, and also through a place‐exchange reaction. These nanoparticles have been characterized by NMR spectroscopy, TEM, thermogravimetric analysis, X‐ray photoelectron spectroscopy (XPS), UV/Vis spectroscopy, elemental analysis, and zeta‐potential measurements. The interacting ability of the anionic sulfonate functions was investigated by EPR spectroscopy with copper(II) as a probe. Different structures and conformations of the AuNPs modulate the availability of sulfonate and thiol groups for complexation by copper(II). Toxicity assays of AuNPs showed that those produced through direct reaction were less toxic than those obtained by ligand exchange. Inhibition of HIV‐1 infection was higher in the case of dendronized AuNPs than in dendrons. 相似文献
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188.
The planar contraction flow is a benchmark problem for the numerical investigation of viscoelastic flow. The mathematical model of three‐dimensional viscoelastic fluids flow is established and the numerical simulation of its planar contraction flow is conducted by using the penalty finite element method with a differential Phan‐Thien–Tanner constitutive model. The discrete elastic viscous split stress formulation in cooperating with the inconsistent streamline upwind scheme is employed to improve the computation stability. The distributions of velocity and stress obtained by simulation are compared with that of Quinzani's experimental results detected by laser–doppler velocimetry and flow‐induced birefringence technologies. It shows that the numerical results agree well with the experimental results. The numerical methods proposed in the study can be well used to predict complex flow patterns of viscoelastic fluids. Copyright © 2009 John Wiley & Sons, Ltd. 相似文献
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190.
Particle-in-Cell/Monte Carlo Collision simulation of planar DC magnetron sputtering 总被引:2,自引:0,他引:2
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In this paper a numerical simulation of a planar DC magnetron discharge is performed with the Particle-in Cell/Monte Carlo Collision (PIC/MCC) method. The magnetic field used in the simulation is calculated with finite element method according to experimental configuration. The simulation is carried out under the condition of gas pressure of 0.665 Pa and voltage magnitude of 400V. Typical results such as the potential distribution, charged particle densities, the discharge current density and ion flux onto the target are calculated. The erosion profile from the simulation is compared with the experimental data. The maximum erosion position corresponds to the place where the magnetic field lines are parallel to the target surface. 相似文献