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31.
Jordi Faraudo Alex Travesset 《Colloids and surfaces. A, Physicochemical and engineering aspects》2007,300(3):287-292
In this paper, we argue that many of the fascinating electrostatic effects that take place in amphiphilic systems are strongly related to the particular organization of the oxygen atoms within each individual molecule. In particular, we focus on two effects: charge inversion and dielectric overscreening. For that purpose, we present molecular dynamics simulations of phosphatidic acid (DMPA2−) in the presence of divalent counterions. Our results show that the many oxygens present in DMPA2− cooperatively create strong binding sites for counterions, which in some cases lead to charge inversion. We also present an analysis of the role of interfacial water and relate our analysis to the phenomenon of dielectric overscreening. Several experimental implications are discussed in the conclusions. 相似文献
32.
Summary The simultaneous stereospecific assay of four stereoisomers of diltiazem hydrochloride in bulk drug and aqueous solution was
developed using HPLC on a Chiralcel OF column. The four isomers were quantitated with good precision by the internal standard
method. The chiral inversion of (+)-cis-diltiazem hydrochloride in vitro, stability of its (2S, 3S) configuration in the solid
and aqueous states was examined by HPLC. Chiral inversion of (+)-cis-diltiazem hydrochloride was not observed in the solid
state, and its (2S, 3S) configuration was stable to heat, humidity and light. Chiral inversion of (+)-cis-diltiazem hydrochloride
(2S, 3S) was observed in aqueous solution under UV, but not in aqueous solution stored at 80°C for 5h nor under visible light
for 10 h. The (+)-cis-diltiazem hydrochloride (2S, 3S) epimerized to (+)-trans-diltiazem hydrochloride (2R, 3S) with a half-life
of 5h in aqueous solution under UV but the reverse chiral inversion of (+)-trans-diltiazem hydrochloride (2R, 3S) to (+)-cis-diltiazem
hydrochloride (2S, 3S) was not observed. 相似文献
33.
34.
负载型TiO2-聚酰亚胺亲水复合膜的制备与分离性能 总被引:4,自引:1,他引:4
采用溶解-流涎法,湿相转换法和干湿相转换法制轩了负载型TiO2-聚酰亚胺亲水复合膜,采用扫描电镜,红外光谱,压汞和透气性实验等手段对该膜的孔径分布,表面结构及扩散性能进行了表征,并讨论了制备亲水对膜孔结构的影响,实验结果表明,三种膜均具有很好的亲水性能,而干湿相转换膜具有良好的孔径分布和分离性能。 相似文献
35.
UV absorption spectra of acetyl fluoride-h3 and -d3 (CH3COF and CD3COF) molecules in the region of S1S0 electronic transitions are investigated. The origins (00
0 or 140±
0) of these transitions are observed at 39912 and 39904 cm–1, respectively, and some of the fundamental frequencies of these molecules in the s0 and S1 states are determined. In particular, the systems of torsion and inversion (out-of-plane C=O vibrations) energy levels are studied. The geometric parameters of an acetyl fluoride-h3 molecule in the S1 state are estimated by the theoretical simulation of the rotational contours of the 00
0 (140±
0) band. These data are used to evaluate the potential barriers to internal rotation in the S0 and S1 states, which were found to be 360 and 560 cm–1 for acetyl fluoride-h3 and 380 and 770 cm–1 for acetyl fluoride-d3, respectively, as well as the potential barriers to inversion in the S1 states, which were found to be 2090 and 2370 cm–1 for acetyl fluoride-h3 and acetyl fluoride-d3, respectively.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 11, pp. 1957–1964, November, 1994.In conclusion, the authors would like to acknowledge T. S. Kuznetsova for the synthesis and purification of the AF samples.The research presented here was supported in part by the International Science Foundation under grant No. MJ 1000. 相似文献
36.
Zhen-zhong Yang 《高分子科学》2007,(2):137-143
In this review, our recent work in phase inversion emulsification (PIE) for polymer (especially epoxy resin) waterborne dispersions is summarized. Based on experimental results about PIE process, the physical model is proposed which can guide the synthesis of the waterborne dispersions such as polymer/nanoparticle composite dispersion. In the presence of a latent curing catalyst, PIE can give a crosslinkable epoxy resin waterborne dispersion. The dispersions can form cured transparent coatings with some unique properties such as UV shielding. They are promising in functional coatings, waterborne resin matrices for composites, and sizing for high performance fibers. 相似文献
37.
38.
Rajeev K. Thakur C. Villette J.M. Aubry G. Delaplace 《Colloids and surfaces. A, Physicochemical and engineering aspects》2007,310(1-3):55-61
Formulation–composition map is an interesting tool to predict the nature of an emulsion, stability, viscosity and nevertheless to decide the mixing protocol of its ingredients. Information based on optimum formulation (environmental conditions at which the affinity of an emulsifier for oil and for aqueous phase is same), which is depicted through hydrophilic–lipophilic deviation (HLD) concept, is necessary to make a formulation–composition map of an emulsion. In order to apply this concept in food emulsions, it is necessary to determine characteristic constants of each component of the system, i.e. the aqueous phase, the oil phase and the emulsifier at equilibrium. In this work formulation–composition map of a sunflower oil–water–lecithin system, based on the knowledge of phase behavior of lecithin at equilibrium and emulsification, was made. The shape of inversion line on formulation–composition map was not the classical stair type rather an almost vertical inversion line at water-fraction (fw) near 0.20 was observed. It was supposed to be linked to the viscosity of oil phase which was 50 times the viscosity of aqueous phase. Additionally, emulsions were of oil-in-water (O/W) type for fw higher than 0.20, but their viscosity and the drop size behavior with respect to salt concentration as formulation variable did not show the existence of transitional inversion line on formulation–composition map. Such map in advance can certainly facilitate the guidelines for dynamic emulsification. 相似文献
39.
《Operations Research Letters》2022,50(5):470-474
An independent set game is a cooperative game dealing with profit sharing in the maximum independent set problem. A population monotonic allocation scheme is a rule specifying how to share the profit of each coalition among its participants such that every participant is better off when the coalition expands. In this paper, we provide a necessary and sufficient characterization for independent set games admitting population monotonic allocation schemes. Moreover, our characterization can be verified efficiently. 相似文献
40.
Summary The international motions of a single cyclohexane molecule are studied by molecular dynamics calculations. Classical trajectories are calculated by integrating Newton's equation of motion. The potential functions used are essentially the same as in Allinger's MM2 program which is widely applied for calculations on conformational energies of organic molecules.Geometries and relative energies are reported for all stable low energy conformers and some transition states of cyclohexane. Vibrational frequencies of classical oscillations of individual bonds — computed for ethane as reference system — are close to the experimental values.Two trajectories of the molecular dynamics of cyclohexane were simulated. In the first we were able to follow the process of ring inversion: chair twisted forms inverted chair. The reaction path is analysed in detail and compared with static approaches. The second trajectory shows the correlated reorientation of the possible twisted forms alone. This process is known as pseudorotation.Dedicated to Prof. Dr. Karl Schlögl 相似文献