987 resultados para conformational properties


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A new biobased composite was developed by adding soy flour (SF) to polypropylene (PP). This composite shows an enhanced tensile strength and modulus but decrease in elongation at break. The compatibilizer (coupling agent) appears to have a synergistic effect on tensile strength. The presence of the compatibilizer improves the dispersion of SF in the PP matrix. The addition of glycerol plasticizer to the composite improves the processability resulting in improved performance, as compared to composites without glycerol plasticizer. The optimal compatibilizer content appears to be 6%.

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MnO2 is currently under extensive investigations for its capacitance properties. MnO2 crystallizes into several crystallographic structures, namely, α, β, γ, δ, and λ structures. Because these structures differ in the way MnO6 octahedra are interlinked, they possess tunnels or interlayers with gaps of different magnitudes. Because capacitance properties are due to tercalation/deintercalation of protons or cations in MnO2, only some crystallographic structures, which possess sufficient gaps to accommodate these ions, are expected to be useful for capacitance studies. In order to examine the dependence of capacitance on crystal structure, the present study involves preparation of these various crystal phases of MnO2 in nanodimensions and to evaluate their capacitance properties. Results of α-MnO2 prepared by a microemulsion route (α-MnO2(m)) are also used for comparison. Spherical particles of about 50 nm, nanorods of 30−50 nm in diameter, or interlocked fibers of 10−20 nm in diameters are formed, which depend on the crystal structure and the method of preparation. The specific capacitance (SC) measured for MnO2 is found to depend strongly on the crystallographic structure, and it decreases in the following order: α(m) > α δ > γ > λ > β. A SC value of 297 F g-1 is obtained for α-MnO2(m), whereas it is 9 F g-1 for β-MnO2. A wide (4.6 Å) tunnel size and large surface area of α-MnO2(m) are ascribed as favorable factors for its high SC. A large interlayer separation (7 Å) also facilitates insertion of cations in δ-MnO2 resulting in a SC close to 236 F g-1. A narrow tunnel size (1.89 Å) does not allow intercalation of cations into β-MnO2. As a result, it provides a very small SC.

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Eight cholesterol based cationic lipids differing in the headgroup have been synthesized based on the ether linkage between the cationic headgroup and the cholesterol backbone. All the lipids formed stable suspensions in water. Transfection efficacies were examined in the absence and presence of serum using their optimized liposomal (lipid:DOPE) formulations. Our results showed that the transfection activities depend on the nature of the headgroup. Lipid bearing 4-N,N′-dimethylaminopyridine (DMAP) as headgroup showed the maximum transfection efficacy in the presence of serum. Importantly, the optimized formulation for this cationic lipid does not require DOPE, which is being used by most commercially available formulations. Cytotoxicity studies showed that the introduction of the positive charge decreases the cell viability of the cationic lipid formulations. Gel electrophoresis and Ethidium bromide exclusion assay revealed the different DNA binding abilities of formulations depending upon the headgroup of the cholesteryl lipid.

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The polyamidoamide (PAMAM) class of dendrimers was one of the first dendrimers synthesized by Tomalia and co-workers at Dow. Since its discovery the PAMAMs have stimulated many discussions on the structure and dynamics of such hyperbranched polymers. Many questions remain open because the huge conformation disorder combined with very similar local symmetries have made it difficult to characterize experimentally at the atomistic level the structure and dynamics of PAMAM dendrimers. The higher generation dendrimers have also been difficult to characterize computationally because of the large size (294852 atoms for generation 11) and the huge number of conformations. To help provide a practical means of atomistic computational studies, we have developed an atomistically informed coarse-grained description for the PAMAM dendrimer. We find that a two-bead per monomer representation retains the accuracy of atomistic simulations for predicting size and conformational complexity, while reducing the degrees of freedom by tenfold. This mesoscale description has allowed us to study the structural properties of PAMAM dendrimer up to generation 11 for time scale of up to several nanoseconds. The gross properties such as the radius of gyration compare very well with those from full atomistic simulation and with available small angle x-ray experiment and small angle neutron scattering data. The radial monomer density shows very similar behavior with those obtained from the fully atomistic simulation. Our approach to deriving the coarse-grain model is general and straightforward to apply to other classes of dendrimers.

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Considered to be the next generation of heat transfer fluids, nanofluids have been receiving a growing amount of attention in the past decade despite the controversy and inconsistencies that have been reported. Nanofluids have great potential in a wide range of fields, particularly for solar thermal applications. This paper presents a comprehensive review of the literature on the enhancements in thermophysical and rheological properties resulting from experimental works conducted on molten salt nanofluids that are used in solar thermal energy systems. It was found that an increase in specific heat of 10–30% was achieved for most nanofluids and appeared independent of particle size and to an extent mass concentration. The specific heat increase was attributed to the formation of nanostructures at the solid–liquid interface and it was also noted that the aggregation of nanoparticles has detrimental effects on the specific heat increase. Thermal conductivity was also found to increase, though less consistently, ranging from 3% to 35%. Viscosity was seen to increase with the addition of nanoparticles and is dependent on the amount of aggregation of the particles. An in-depth micro level analysis of the mechanisms behind the thermophysical property changes is presented in this paper. In addition, possible trends are discussed relating to current theorised mechanisms in an attempt to explain the behaviour of molten salt nanofluids.

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An accretion flow is necessarily transonic around a black hole. However, around a neutron star it may or may not be transonic, depending on the inner disk boundary conditions influenced by the neutron star. I will discuss various transonic behavior of the disk fluid in general relativistic (or pseudo general relativistic) framework. I will address that there are four types of sonic/critical point. possible to form in an accretion disk. It will be shown that how the fluid properties including location of sonic point's vary with angular momentum of the compact object which controls the overall disk dynamics and outflows.

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Nanoconfined synthesized crystalline fullerene mesoporous carbon (C60-FMC) with bimodal pore architectures of 4.95 nm and 10-15 nm pore sizes characterized by XRD, TEM, nitrogen adsorption/ desorption isotherm and solid-state NMR, and the material was used for protein immobilization. The solid-state 13C NMR spectrum of C60-FMC along with XRD, BET and TEM confirms the formation of fullerene mesoporous carbon structure C60-FMC. The immobilization of albumin (from bovine serum, BSA) protein biomolecule in a buffer solution at pH 4.7 was used to determine the adsorption properties of the C60-FMC material and its structural changes investigated by FT-IR. We demonstrated that the C60-FMC with high surface area and pore volumes have excellent adsorption capacity towards BSA protein molecule. Protein adsorption experiments clearly showed that the C60-FMC with bimodal pore architectures (4.95 nm and 10-15 nm) are suitable material to be used for protein adsorption

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The effect of the addition of glassy phases on the microstructure and dielectric properties of CaCu3Ti4O12 (CCTO) ceramics was investigated. Both single-component (B2O3) and multi-cornponent (30wt% BaO-60wt% B2O3-10wt% SiO2 (BBS)) glass systems were chosen to study their effect on the density, microstructure and dielectric properties of CCTO. Addition of an optimum amount of B2O3 glass facilitated grain growth and an increase in dielectric constant. However, further increase in the B2O3 content resulted in its segregation at the grain boundaries associated with a reduction in the grain size. In contrast, BBS glass addition resulted in well-faceted grains and increase in the dielectric constant and decrease in the dielectric loss. An internal barrier layer capacitance (IBLC) model was invoked to correlate the dielectric constant with the grain size in these samples. (c) 2007 Elsevier Inc. All rights reserved.

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Thin films of Cd1−xMnxS (0<=x<=0.5) were deposited on glass substrates by thermal evaporation. All the films were deposited at 300 K and annealed at 373, 473, and 573 K for 1 h in a high vacuum in the range 10−4 Pa. The as-deposited and the annealed films were characterized for composition, structure, and microstructure by using energy-dispersive X-ray, X-ray diffraction, scanning electron microscopy, and atomic force microscopy (AFM). The electrical properties were studied by Hall effect measurement. Electrical conductivity was studied in the temperature range 190–450 K. AFM studies showed that all the films were in nanocrystalline form with grain size varying in the range between 36 and 82 nm. Grain size studies showed a definite increase with annealing temperature. All the films exhibited wurtzite structure of the host material. The lattice parameter varied linearly with composition, following Vegard's law in the entire composition range. Grain size, electrical conductivity, Hall mobility, carrier concentration, and activation energy varied, exhibiting either maxima or minima at x=0.3.

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In1-xMnxSb films have been grown with different Mn doping concentrations (x = 0.0085, 0.018, 0.029 and 0.04) beyond the equilibrium 14 solubility limit by liquid phase epitaxy. We have studied temperature dependent resistivity, the Hall effect, magnetoresistance and magnetization for all compositions. Saturation in magnetization observed even at room temperature suggests the existence of ferromagnetic clusters in the film which has been verified by scanning electron microscopy studies. The anomalous Hall coefficient is found to be negative. Remnant field present on the surface of the clusters seems to affect the anomalous Hall effect at very low fields (below 350 Gauss). In the zero field resistivity, a variable-range hopping conduction mechanism dominates below 3.5 K for all samples above which activated behavior is predominant. The temperature dependence of the magnetization measurement shows a magnetic ordering below 10 K which is consistent with electrical measurements. (c) 2007 Elsevier Ltd. All rights reserved.

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In this paper, the effect of rhamnolipid biosurfactant on the electrokinetic and rheological behavior of nanozirconia particles is reported. The effect of pH, concentration of biosurfactant, and solids loading on ζ-potential and rheological behavior was investigated. ζ-potential measurements showed that adsorption of biosurfactant shifted the iso-electric point of zirconia with increasing biosurfactant concentration. The surface of zirconia became more electronegative in the presence of biosurfactant indicating a strong interaction. Maximum charge was obtained in the presence of about 230 ppm of biosurfactant. Rheological tests at pH 7 revealed that the zirconia suspension is viscous at high solids loading and addition of biosurfactant decreased the viscosity substantially especially at high solids loading (>50 wt%). Sedimentation tests confirmed that the biosurfactant is a good dispersant for zirconia particles at pH values of 7 and above.

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Thin films of ZrO2 were prepared by reactive magnetron sputtering. Annealing of the films exhibited a drastic change in the properties due to improved crystallinity and packing density. The root mean square roughness of the sample observed from atomic force microscope is about 5.75 nm which is comparable to the average grain size of the thin film which is about 6 nm obtained from X-ray diffraction. The film annealed at 873 K exhibits an optical band gap of around 4.83 eV and shows +4 oxidation state of zirconium indicating fully oxidized zirconium, whereas higher annealing temperatures lead to oxygen deficiency in the films and this is reflected in their properties. A discontinuity in the imaginary part of the AC conductivity was observed in the frequency range of tens of thousands of Hz, where as, the real part does not show such behavior.

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A creep resistant Mg alloy MRI 230D was subjected to laser surface treatment using Nd:YAG laser equipped with a fiber optics beam delivery system in argon atmosphere. The laser surface treatment produced a fine dendritic microstructure and this treatment was beneficial for the corrosion and wear resistance of the alloy. Long-term linear polarisation resistance and Electrochemical Impedance Spectroscopy measurements confirmed that the polarisation resistance values of laser treated material were twice as high as that for the untreated material. This improved behaviour was due to the finer and more homogenous microstructure of the laser treated surface. The laser treatment also increased surface hardness two times and reduced the wear rate by 25% due to grain refinement and solid solution strengthening.