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101.
Large quantities of an enantiomerically pure novel dual PPARα/γ agonist were required. Three routes were successfully developed to achieve this goal, with the chosen route utilized to deliver 40 g of material. 相似文献
102.
Xiaoyan Zheng Xueye Wang Shanfeng Yi Nuanqing Wang Yueming Peng 《Journal of computational chemistry》2009,30(16):2674-2683
In this work, a quantum mechanical research of five lariat crown ethers(LCEs), 2‐methoxy‐15‐crown‐5( A ), N‐methoxy‐4‐aza‐15‐crown‐5( B ), N‐methoxy‐4‐aza‐18‐crown‐6( C ), N‐methoxyethyl‐4‐aza‐18‐crown‐6( D ), N,N′‐bis(2‐metho xyethyl)‐4,13‐diaza‐18‐crown‐6( E ), which are based on either 15‐crown‐5 or 18‐crown‐6 frameworks and contain various pendant arms extending from either carbon or nitrogen atoms on the crown frameworks, had been done using density functional theory with B3LYP/6‐31G* method to obtain the electronic and geometrical structures of the LCEs and their complexes with alkali metal ions: Na+ and K+. The nucleophilicity of LCEs had been investigated by the Fukui functions. For complexes, the match between the cation and cavity size, the status of interaction between alkali metal ions and donor atoms in the LCEs, and the sidearm effect of the LCEs had been analyzed through the other calculated parameters, such as, highest occupied molecular orbital energy, lowest unoccupied molecular orbital energy, and energy gaps. In addition, the enthalpies of complexation reaction had been studied by the calculated thermodynamic data (298 K). The calculated results are all in a good agreement with the experimental data for the complexes. © 2009 Wiley Periodicals, Inc. J Comput Chem 2009 相似文献
103.
Preparation of an amphiphilic graft copolymer having poly(phthalazinone ether sulfone ketone)(PPESK) as main chains was carried out by atom transfer radical polymerization(ATRP).The precursor,chloromethylated PPESK (CMPPESK),was prepared by using chioromethylether as chloromethylation agent.Then,poly(ethylene glycol) methyl ether methacrylate(PEGMA) was used as monomer to synthesize PPESK-g-P(PEGMA) by ATRP method under the catalysis of a cuprous chloride/2,2'-bipyridyl system.PPESK/PPESK-g-P(PEGMA) blen... 相似文献
104.
Ljerka Tuek-Boi Christophe Pannecouque Erik De Clercq Jan Balzarini 《Polyhedron》2009,28(16):3449-3458
The eco-friendly synthesis, spectroscopic (IR, MS, 1H and 13C NMR) study and biological (cytostatic, antiviral) activity of sodium and potassium benzeneazophosphonate complexes, obtained by reaction in the solid state under microwave irradiation of the alkali salts of ethyl [α-(4-benzeneazoanilino)-N-benzyl]phosphonic acid and [α-(4-benzeneazoanilino)-N-4-methoxybenzyl]phosphonic acid with crown ethers containing 18-membered (dibenzo-18-crown-6 and bis(4′-di-tert-butylbenzo)-18-crown-6), 24-membered (dibenzo-24-crown-8) and 30-membered (dibenzo-30-crown-10) macrocyclic rings, have been described. The simple work-up solvent free reaction is an efficient green procedure for the formation of mononuclear crown ether complexes in which the sodium/potassium ion is bound to oxygen atoms of the macrocycle and the phosphonic acid oxygen. The free crown ethers, alkali benzeneazophosphonate salts and their complexes were evaluated for their cytostatic activity in vitro against murine leukemia L1210, murine mammary carcinoma FM3A and human T-lymphocyte CEM and MT-4 cell lines, as well as for their antiviral activity against a wide variety of DNA and RNA viruses. The investigated compounds showed no specific antiviral activity, whereas all the free crown ethers and their complexes demonstrated cytostatic activity, which was especially pronounced in the case of bis(4′-di-tert-butylbenzo)-18-crown-6 and its complexes. 相似文献
105.
采用高效液相色谱法在手性冠醚柱上拆分丙氨酸、正缬氨酸和犬尿氨酸3种对映体.使用CROWNPAK CR(+)柱(150 mm×4 mm, 5 μm),以HClO4溶液(pH 1.0)为流动相,柱温20 ℃,流速1.0 mL/min,丙氨酸、正缬氨酸和犬尿氨酸的检测波长分别为200、220和254 nm,3种氨基酸都得到手性拆分.考察了流动相流速、温度及pH对分离的影响,并通过对选择性、保留时间和柱效的考察判断影响分离度的因素.结果表明: 降低温度有助于提高手性选择性,但会降低柱效,从而影响分离度.在0~20 ℃柱温范围内研究了lnk′、lnα与1/T的关系,计算了3种氨基酸对映体与固定相相互作用的热力学函数. 相似文献
106.
To circumvent the common swelling and deteriorated performance of integral asymmetric hollow fiber membranes for pervaporation dehydration, we have developed novel polyamide-imide (PAI)/polyetherimide (PEI) hollow fiber membranes with synergized performance with the aid of dual-layer spinning technology. Dehydration of C1–C4 alcohols has been conducted and the orders of their fluxes and permeances have been analyzed. The hollow fibers spun at 2 cm air gap and annealed at 75 °C exhibit the highest pervaporation performance: separation factors for t-butanol/water and iso-butanol/water binary systems are greater than 50,000 with flux more than 700 g/m2 h. A comparison with literature data shows that the newly developed membranes outperform most other polymeric membranes for the dehydration of IPA and butanols. The dual-layer hollow fiber membranes also exhibit good long-term stability up to 200 h. The superior performance can be attributed to (1) the balanced properties of PAI as the selective layer for dehydration pervaporation; (2) the low water uptake and less swelling characteristic of the PEI supporting layer; and (3) the desirable membrane morphology consisting of a fully porous inner layer, a porous interface, and an ultrathin dense-selective outer skin. 相似文献
107.
Tie-line data for ternary system of (water + 1-propanol + diisopropyl ether (DIPE)) were determined at T = (298.2, 308.2 and 313.2) K under atmospheric conditions. The ternary system exhibited type-I LLE behavior, as (DIPE + water) is the only liquid pair that is partially miscible. The experimental data for this system were predicted with the UNIFAC model with a root mean square deviation of 2.64%. The reliability of the experimental tie-line data was determined through the Othmer–Tobias and Hand plots. Distribution coefficients and separation factors were measured to evaluate the extracting capability of the solvents. The influence of temperature effect on the equilibrium characteristics and separation factor was found to be significant at the temperatures studied. 相似文献
108.
Matthew B. Miller De-Li Chen Hong-Bin Xie David R. Luebke J. Karl Johnson Robert M. Enick 《Fluid Phase Equilibria》2009
We report the solubility of carbon dioxide in four physical solvents and compare our data to predicted phase behavior using the conductor-like screening model for real solvents (COSMO-RS) formalism. The solubility data are presented in pressure-composition (Px) diagrams as well as Henry's law coefficients on a wt% basis at 298.15 K. The oligomers presented in this study are poly ethylene glycol di-methyl ether (PEGDME), perfluoro polyether (PFPE), poly di-methyl siloxane (PDMS), and poly propylene glycol di-methyl ether (PPGDME), which is a new solvent designed for this application by our group. These oligomers had 2–5 repeat units. We assess these four oligomers for capturing CO2 from high-pressure streams. The COSMO-RS formalism is able to qualitatively and to some extent quantitatively describe solubilities of CO2 in each of the oligomers. 相似文献
109.
110.
Dimethyl ether (DME) was synthesized from methane through a two-step process, in which CH3Br was prepared from the oxidative bromination reaction of methane in the presence of HBr and oxygen over a Rh-SiO2 catalyst and then, in the second step, CH3Br was hydrolyzed to DME over a silica supported metal chloride catalyst. 12 mol%ZnCl2/SiO2 catalyst was found to be the most active, but it deactivated because of Cl− losing. 相似文献