In the present work, the pair potential of enantiomeric N-palmitoyl aspartic acid amphiphile monolayer at the air/water interface is calculated based on an atomistic model. The molecular structure and partial charges are calculated using two semi empirical (PM3, AM1) and one empirical (Gasteiger and Marcili) methods. A distance-dependent dielectric function is used to represent the interfacial dielectric constant at the aqueous subphase. The present study indicates that a pair of molecules have favorable interaction at specific ranges of mutual orientations. Other orientations are favorable but at larger separations. Favorable electrostatic interaction at a specific combination of orientation and short separations of the head groups significantly contribute to the total energy. The curvature of the domain boundary is suggested to be driven by the favorable arrangement which is dependent on the pair potential of molecules. The use of charges obtained by the PM3 and GM do not lead to a significant variation of the orientation-dependent features, while the AM1 predicts higher partial charges and interactions are stronger than the former two methods. However, orientation-dependent features remain the same. The variations in the LJ parameters and charges indicate that the conclusions made are insensitive to the choice of parameters. The mutual favorable interaction predicted by calculation agree with the handedness of curvature of domains. 相似文献
This communication reports the successful adsorption of a water-soluble cationic fluorescent dye Acridine Orange (AO) onto Langmuir–Blodgett (LB) films of a cationic amphiphile octadecylamine (ODA) in the presence of nano-clay platelets hectorite. Acridine orange (AO) has been widely used as a stainer for the characterization of biopolymers. But AO has a tendency to form non-florescent H-dimer even in the aqueous solution. Anionic nano-clay platelets hectorite played an important role in controlling the H-dimer formation of AO in the hybrid film. Effects of various parameters in the adsorption process were investigated in detail. 相似文献
Non-lamellar lyotropic liquid crystalline (LLC) lipid nanoparticles contain internal multidimensional nanostructures such as the inverse bicontinuous cubic and the inverse hexagonal mesophases, which can respond to external stimuli and have the potential of controlling drug release. To date, the internal LLC mesophase responsiveness of these lipid nanoparticles is largely achieved by adding ionizable small molecules to the parent lipid such as monoolein (MO), the mixture of which is then dispersed into nanoparticle suspensions by commercially available poly(ethylene oxide)–poly(propylene oxide) block copolymers. In this study, the Reversible Addition-Fragmentation chain Transfer (RAFT) technique was used to synthesize a series of novel amphiphilic block copolymers (ABCs) containing a hydrophilic poly(ethylene glycol) (PEG) block, a hydrophobic block and one or two responsive blocks, i.e., poly(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acrylate) (PTBA) and/or poly(2-(dimethylamino)ethyl methacrylate) (PDMAEMA). High throughput small angle X-ray scattering studies demonstrated that the synthesized ABCs could simultaneously stabilize a range of LLC MO nanoparticles (vesicles, cubosomes, hexosomes, inverse micelles) and provide internal particle nanostructure responsiveness to changes of hydrogen peroxide (H2O2) concentrations, pH and temperature. It was found that the novel functional ABCs can substitute for the commercial polymer stabilizer and the ionizable additive in the formation of next generation non-lamellar lipid nanoparticles. These novel formulations have the potential to control drug release in the tumor microenvironment with endogenous H2O2 and acidic pH conditions. 相似文献
In this article, the search for the elusive biaxial nematic phase (NB) in liquid crystals is considered. The structure of the phase is described along with theoretical and computational work which suggests how it might be realised. An overview of the work of the Exeter group in this area is then given showing the different approaches adopted and illustrating how one of these has led to a new type of amphiphilicity based on shape. 相似文献
Amphiphilic hyperbranched poly(amino ester)s with hydrophilic multi‐ethoxylated triacrylate backbone and hydrophobic long alkyl side chain were firstly synthesized via one pot Michael addition polymerization. The poly‐(amino ester) could dissolve in cold water and self‐assemble into loose micelle. Under 50–1000 ms bubble, the dynamic surface tension (DST) of the poly(amino ester) aqueous solution (0.5 wt%) still maintained in the range of 32–28 mN/m. The aqueous solutions of poly(amino ester)s with different molecular weights showed the lower critical solution temperature (LCST) in the range of 8–50°C, which could also be tuned by its pH. Capped with hydrophobic groups on the terminal units and partially neutralized with acid, the poly(amino ester)s still kept their stable dynamic surfactant behaviors, indicating promising application. 相似文献
Threefold symmetric rigid‐core molecules with an internally grafted poly(ethylene oxide) (PEO) chain were synthesized, and their self‐assembled structures were characterized using differential scanning calorimetry, TEM, and 1D and 2D X‐ray scatterings in the solid state. The tripod compounds based on short PEO chains (n=8, 13, 17, 21), self‐assemble into 2D channel‐like network structures, whereas the compound with the longest PEO chain (n=34) forms a lamellar liquid crystalline phase. The interiors of the channel structures are filled with flexible PEO chains along the double‐walled aromatic circumference. In these channel‐like networks, three aromatic rods connected in the meta‐position to each other are superimposed in parallel to other adjacent molecules to form the double‐walled aromatic frameworks stacked perpendicular to the resulting channels. These are novel examples of supramolecular channel‐like structures developed using amphiphilic diblock molecules based on a threefold symmetric rigid scaffold. 相似文献
New biomaterials with the properties of both bone and cartilage extracellular matrices (ECM) should be designed and used with co‐culture systems to address clinically applicable osteochondral constructs. Herein, a co‐culture model is described based on a trilayered silk fibroin‐peptide amphiphile (PA) scaffold cultured with human articular chondrocytes (hACs) and human bone marrow mesenchymal stem cells (hBMSCs) in an osteochondral cocktail medium for the cartilage and bone sides, respectively. The presence of hACs in the co‐cultures significantly increases the osteogenic differentiation potential of hBMSCs based on ALP activity, RT‐PCR for osteogenic markers, calcium analyses, and histological stainings, whereas hACs produces a significant amount of glycosaminoglycans (GAGs) for the cartilage region, even in the absence of growth factor TGF‐β family in the co‐culture medium. This trilayered scaffold with trophic effects offers a promising strategy for the study of osteochondral defects.
The facial amphiphile 3α,7α-diaminocholestane 3 was synthesized from 3β-acetoxy-7-ketocholestane 1 through a stepwise reductive amination. The reductive amination of 1 with NH4OAc in the presence of NaBH3CN, and protection with Boc2O yielded 7α-(tert-butyloxycarbonyl)-aminocholestane 4 in 86% yield. The reductive amination of 6, which was obtained from 4 after hydrolysis and subsequent oxidation, with NH4OTf in the presence of NaBH(OEh)3 provided 3 in 75% yield after protection with Boc2O. 相似文献