锆助剂对低温液相合成甲醇用铜铬硅催化剂性能的影响

考察了含锆的铜铬硅催化剂低温液相合成甲醇性能，并进行了BET、TPR-H2、TPD-H2、TPD-CO、XRD和XPS表征。结果表明，锆作为结构助剂及电子助剂对催化剂在低温液相合成甲醇反应中具有显著的促进作用，反应活性可提高32.25 ％。锆助剂能有效提高催化剂的比表面积，促进催化剂中铜铬组分的分散及表面富集。ZrO2加入在催化剂表面产生的Cu+与催化活性的改善密切相关，Zr4+、Cr3+、Cu+可形成复合中心，为价态的稳定性提供微环境，在H2活化及C O键的断裂等反应步骤中起重要作用。     

Studies on the properties of ionic liquid EMIInCl4

This paper reports that an ionic liquid (IL) has been prepared by directly mixing InCl₃ and 1-methyl-3-ethylimidazolium chloride (EMIC) with molar ratio 1/1 under dry argon atmosphere. The densities, and surface tension of the pure IL were determined at temperature range of 293.15 to 343.15 ± 0.1 K. The volumetric properties and the properties of surface for ionic liquid based on group III were discussed by Glasser's theory and Yang's interstice model.     

Adaptation of a fast Fourier transform-based docking algorithm for protein design

Designing proteins with novel protein/protein binding properties can be achieved by combining the tools that have been developed independently for protein docking and protein design. We describe here the sequence-independent generation of protein dimer orientations by protein docking for use as scaffolds in protein sequence design algorithms. To dock monomers into sequence-independent dimer conformations, we use a reduced representation in which the side chains are approximated by spheres with atomic radii derived from known C2 symmetry-related homodimers. The interfaces of C2-related homodimers are usually more hydrophobic and protein core-like than the interfaces of heterodimers; we parameterize the radii for docking against this feature to capture and recreate the spatial characteristics of a hydrophobic interface. A fast Fourier transform-based geometric recognition algorithm is used for docking the reduced representation protein models. The resulting docking algorithm successfully predicted the wild-type homodimer orientations in 65 out of 121 dimer test cases. The success rate increases to approximately 70% for the subset of molecules with large surface area burial in the interface relative to their chain length. Forty-five of the predictions exhibited less than 1 A C(alpha) RMSD compared to the native X-ray structures. The reduced protein representation therefore appears to be a reasonable approximation and can be used to position protein backbones in plausible orientations for homodimer design.     

Drying and hydrophobic collapse of paraffin plates

We perform molecular dynamics simulations of the hydrophobic collapse of two paraffin plates to examine how the collapse is mediated by realistic paraffin-water attractive van der Waals forces. We explore several aspects of the drying transition between the plates, including the critical separation for drying and the critical size of the vapor bubble required for the nucleation of the drying event. We also investigate the kinetics of hydrophobic collapse and find that the hydrophobic collapse occurs in about 100 ps. We compare these results with the simulations with the plate-water van der Waals attractions turned off and with recent results on the hydrophobic collapse of multidomain proteins. Last, we discuss the relationship among the dewetting transition critical distance, van der Waals potential well depth, and water contact angle on solute surface using a simple macroscopic theory.     

Synthesis and Catalytic Application of Homo-bimetallic Metallocene Complexes as Ethylene Polymerization Catalysts

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浊点萃取在生物大分子分离及分析中的应用

浊点萃取是一种新兴的环保型液2液萃取方法。本文介绍了表面活性剂胶束溶液的形成过程和浊点现象, 总结了浊点萃取法的操作方法, 并且详细讨论了它在生物大分子分离纯化及生物分析中的应用。最后探讨了该技术的发展前景。     

CH3I分子束激光裂解产物的分布

The photofragmentation of CH_3I at 249 nm has been investigated by means of our crossed laser-molecular beam apparatus with rotatable supersonic beam source. The measured I~*/I yield ratio is about 4/1. The C—I bond dissociation energy obtained is 56±1 kcal mol~(-1). The vibrational energy distribution of CH_3 fragments has been roughly estimated.     

Spontaneously formed unilamellar vesicles with path-dependent size distribution

We observe the spontaneous formation of path-dependent monodisperse and polydisperse phospholipid unilamellar vesicles (ULV) from two different equilibrium morphologies specifically, disklike micelles and extended lamellae, respectively. On heating beyond a temperature Tc, low temperature disklike micelles, or so-called bicelles, transform into lamellae. Dilution of the lamellar phase, at a fixed temperature, results in a complete unbinding transition and the formation of polydisperse ULV, demonstrating the instability of the lamellar phase. On the other hand, heating of a dilute bicellar phase above Tc results in monodisperse ULV, which on cooling revert back to bicelles for lipid concentrations phi > or = 0.5 wt % and transform into oblate ellipsoids for phi = 0.1 wt %, a morphology not previously seen in "bicellar" lipid mixtures. Monodisperse ULV reform on heating of the oblate ellipsoids.     

Hetero Diels-Alder reactions of 1-amino-3-siloxy-1,3-butadienes under strictly thermal conditions

The hetero Diels-Alder reaction of 1-amino-3-siloxy-1,3-butadiene (1a) with a range of unactivated aldehydes proceeds readily under remarkably mild conditions: at room temperature and in the absence of Lewis acid catalysts. The cycloadducts are formed in good yields and can be converted directly to the corresponding dihydro-4-pyrones using acetyl chloride. Ketones and imines are also reactive in hetero Diels-Alder reactions with this diene.     

Chromogenic reaction of bromopyrogallol red with tri- and hexavalent chromium in the presence of cetyltrimethyl ammonium bromide and its application in Cr speciation

The coordination reactions of bromopyrogallol red (BPR) with tri- and hexavalent chromium in the presence of cetyltrimethylammonium bromide (CTAB) have been studied by absorption spectrometry. Results show that the reactions of Cr(VI) and Cr(III) with BPR in the absence or presence of CTAB have different temperature dependences. The reaction mechanism of Cr(VI) is that Cr(VI) is first reduced by BPR to Cr(III) and then the Cr(III) produced reacts with BPR. Based on the study on the coordination reactions and the effects of surfactants upon them, a simple, rapid, sensitive and accurate method for Cr speciation has been developed. Over the range of 0–8 g Cr(VI) or 0–12g Cr(III) per 25ml final volume, the calibration curve is linear with a detection limit of 3.5 × 10^–7 mol/1 for Cr(VI) or 4.4 × 10^–7 mol/1 for Cr(III).