Can apomyoglobin form a complex with a spherical ligand? Interactions between apomyoglobin and [C60] fullerene derivative

The preparation and characterization of the stable equine skeletal muscle apomyoglobin and eee-isomer of tris-malonic acid [C60] fullerene complex is reported. For this new bio-nanomaterial preparation, a procedure of complexation-during-protein-refolding was used and the obtained compound sustained separation by gel-filtration and ion-exchange chromatography. The apomyoglobin-tris-malonic acid [C60] fullerene complex was characterized by UV-vis spectroscopy, steady state fluorescence, time-resolved fluorescence, and circular dichroism spectroscopies. Important information provided by this study, regarding the stability and properties of new material, may lead to a better understanding of the apomyoglobin protein binding characteristics, as well as to development of novel antioxidant and photodynamic therapeutic agents and components for bioelectronic devices.     

Melt blending in situ enhances the interaction between polystyrene and graphene through π-π stacking

The effect of melt blending on the interaction between graphene and polystyrene (PS) matrix has been investigated in this paper. The interaction between graphene and PS was significantly enhanced by melt blending, which led to an increased amount of PS-functional graphene (PSFG) exhibiting good solubility in some solvents. The PS chains on PSFG could effectively prevent the graphene sheets from aggregating and the prepared PS/PSFG composites exhibited a homogeneous dispersion and an improved electrical property. The mechanism of melt blending on this enhanced interaction was attributed to the formation of π-π stacking during the melt blending. Moreover, the formation of chemical bonding during melt blending may have also enhanced the interaction.     

C–halogen···π interactions and their influence on molecular conformation and crystal packing: a database study

A Cambridge Structural Database study was undertaken to investigate the role of C–X···π interactions (X=F, Cl, Br, I) in conformational and crystal engineering control in organic crystal structures. This analysis reveals that organic fluorine has a greater propensity for the formation of such interactions rather than accepting hydrogen bonds. These results also compare well with the recently analyzed C–H···π interactions and depict the orientational dependency and the control of crystal packing in organic molecules.     

Effect of the surface chemical groups of activated carbons on their surface adsorptivity to aromatic adsorbates based on π-π interactions

Three activated carbons with different surface chemical groups were used to analyse the influence of these groups on their adsorption capacities towards aromatic-type molecules whose adsorption is based on π-π interactions with surface arene centres. The three activated carbons studied were a low-functionalized carbon (Merck), an oxygen-rich carbon obtained by HNO₃ oxidation of Merck, and a nitrogen-rich carbon also prepared from Merck by mild HNO₃ oxidation followed by treatment with a dicyanodiamide/dimethyl formamide mixture at 300 °C. The nature of the surface chemical groups of the three activated carbons was investigated by both physical and chemical techniques (TPD, XPS, Boehm analysis and pH potentiometric titration). A systematic study of the adsorptions of a series of analogous aromatic adsorbates on the three activated carbons was carried out to study the adsorption mechanisms. In all cases the adsorption mechanism is based on π-π interactions between the aromatic moiety of the adsorbates and the arene centres of the graphite sheets. The differences in the normalized adsorption capacities of the adsorbents for a set of adsorbates indicate that the π-donor or π-withdrawing character of the functional groups have a clear influence on the basicity of the arene centres.     

Theoretical and experimental investigations on elastic interactions between γ′-precipitates in a Ni-Al alloy

Elastic interaction energies between two identical inhomogeneous plates in an anisotropic matrix were calculated with respect to particle separation distance and alignment orientation on the basis of the microscopic theory of elasticity developed by Yamauchi and de Fontaine. Four types of plate-arrangement along the cube directions; two plates whose faces were mutually parallel, two plates which were arranged on a cube plane as a raft, two plates which were perpendicularly arranged with face—edge configuration and two plates which were perpendicularly aligned with edge—edge configuration were energetically stable, while other arrangements were not stable. Compared with experimental observations on the local arrangement of plates in a Ni-Al single crystal, the calculated results were confirmed to be qualitatively correct.     

Ultrafast Yb:Y₂SiO₅ laser investigation based on a carbon nanotube absorber

Transmission-type single-walled carbon nanotube saturable absorbers were successfully fabricated and used in a CW passively mode-locked Yb:Y?SiO? laser for the first time to our knowledge. We obtained pulses as short as 1.1 ps around a center wavelength of 1058 nm. The average output power of 1.1 W was achieved at the repetition of 96.7 MHz; the corresponding peak power and energy of a single pulse was 10.3 kW and 11.4 nJ, respectively.     

Theoretical study on effect of radial and axial deformation on electron transport properties in a semiconducting Si–C nanotube

We investigate electron transport properties in a deformed (8, 0) silicon carbide nanotube by applying self consistent non-equilibrium Green??s function formalism in combination with the density-functional theory to a two-probe molecular junction constructed from deformed nanotube. The results suggest significant reduction in threshold voltage in the case of both radially compressed and axially elongated (8, 0) SiCNTs, a large difference in current?Cvoltage characteristics was observed. Analysis of frontier molecular orbitals (FMO) and transmission spectrum show bandgap reduction in deformed nanotubes. Deformation introduces electronic states near the Fermi level, enhancing the conduction properties of (8, 0) SiCNT. The FMOs and the orbitals corresponding to peaks in T(E) around Fermi level obviously has some major contributions from the deformed site. However, localization of the electronic state near the Fermi level is weak in (8, 0) SiCNT, possibly because of its large bandgap.     

Selective growth of vertically aligned double- and single-walled carbon nanotubes on a substrate at 590 °C

Vertically aligned double-?and single-walled carbon nanotubes (DWNTs and SWNTs) were synthesized on a substrate at 590?°C by hot-filament chemical vapor deposition. An optimized combination of iron and aluminum layers as the catalyst resulted in iron particles ranging from 1-5?nm floating in an aluminum matrix after annealing. Selective synthesis of DWNTs and SWNTs from such particles was achieved by adjusting the dilution ratio of acetylene that was used as the source gas. The yield of DWNTs among all CNTs was as high as 81%, while that of SWNTs was almost 100%. The diameter distribution of DWNTs was narrow, with a standard deviation of about 12%.     

Effects of water vapour on the oxidation of a nickel-base 625 alloy between 900 and 1,100 °C

The effect of water vapour was studied on a nickel-based SY 625 alloy oxidized at 900, 1000 and 1100 °C under dry and wet conditions. It appears that H₂O has little effect on the oxidation rate and scale composition after 48 h. The outer scale is composed of chromia Cr₂O₃. At 900 and 1,000 °C, NbNi₄ and Ni₃Mo intermetallics are found at the oxide/alloy interface. At 1,100 °C, the scale is composed of an outer chromia scale and an internal CrNbO₄ subscale. At this temperature the oxide scale morphology differs between dry and wet conditions. Under dry conditions the oxide scale appears to be compact but the external part of the scale partially spalled of during cooling. The oxide scales formed under wet conditions show porosities spread inside the scale and the chromia grain size is smaller. At 1,100 °C scale spallation is observed under dry conditions due void accumulation in the middle part of the scale. Under wet conditions the uniform distribution of the porosities inside the scale leads to a better scale adherence.     

Influence of cryogenic thermal cycling treatment on the thermophysical properties of carbon/carbon composites between room temperature and 1900 °C

Influence of cryogenic thermal cycling treatment (from ?120 °C to 120 °C at 1.3 × 10^?3 Pa) on the thermophysical properties including thermal conductivity (TC), thermal diffusivity (TD), specific heat (SH) and coefficient of thermal expansion (CTE) ranging from room temperature to 1900 °C of carbon/carbon (C/C) composites in x-y and z directions were studied. Test results showed that fiber/matrix interfacial debonding, fiber pull-out and microcracks occurred after the cryogenic thermal treatment and they increased significantly with the cycle number increasing, while cycled more than 30 times, the space of microdefects reduced obviously due to the accumulation of cyclic thermal stress. TC, TD, SH and CTE of the cryogenic thermal cycling treated C/C composites were first decreased and then increased in both directions (x-y and z directions) with the increase of thermal cycles. A model regarding the heat conduction in cryogenic thermal cycling treated C/C composites was proposed.     

First synthesis of a new fullerene oximes bis(9-[hydroxo]-1-[1′-hydroxymino-2′-oxo-2′-alkyl-ethyl])1,9-dihydro-[C60-Ih][5,6]fullerenes via reaction of C60 with ketones and NaNO2 promoted by HCl

A mixture of cis-2 and cis-3 isomers of new fullerene derivatives bis(9-[hydroxo]-1-[1′-hydroxymino-2′-oxo-2′-alkyl-ethyl])-1,9-dihydro-[C₆₀-I_h][5,6]fullerenes have been selectively synthesized with high yields at the reaction of C₆₀ fullerene with ketones Me₂CO, EtMeCO, i-PrMeCO, PhMeCO in the presence of NaNO₂ and HCl.     

C60 − Mean Lifetime as a Function of Electron Energy and Molecular Temperature

Abstract

The electron autodetachment rate constant of the negative ion C₆₀ ^? has been determined as a function of both electron energy and molecular temperature. The experimental findings provide proof of the statistical nature of the electron auto‐emission from C₆₀ ^?. The experimental data have been rationalized within the framework of statistical transition state theory.     

Effect of filler functionalization on thermo-mechanical properties of polyamide-12/carbon nanofibers composites: a study of filler–matrix molecular interactions

The effect of carbon nanofiber (CNF) functionalization on the thermo-mechanical properties of polyamide-12/CNF nanocomposites was investigated. Three main different surface treatments were performed to obtain CNF-OH (OH rich), CNF-Silane (C₆H₅Si–O–), and CNF-peroxide. CNF modified with poly-(tert-butyl acrylate) chains grown from the surface via ATRP (atom transfer radical polymerization) were also prepared and tested. The modified CNFs and neat CNFs were used as fillers in polyamide-12 nanocomposites and the properties of the ensuing materials were characterized and compared. Universal tensile tests demonstrated a substantial increase (up to 20 %) of the yield strength, without reduction of the final elongation, for all functionalized samples tested within 1 wt% filler content. Further evidences of mechanical properties improvement were given by dynamic mechanical thermal analyses. CNFs functionalized with poly-(tert-butyl acrylate) and silane exhibited the best performance with stiffening and strengthening at low (≤1 wt%) filler loadings, via a partial decrease of the intensity of β-transitions attributed to favorable interactions between the functional groups on the surface of functionalized CNFs and polyamide-12. CNFs treated with peroxide proved to be the most simple preparation technique and the ensuing nanocomposites exhibited the highest storage modulus at high (5 wt%) filler content. Theoretical simulations using the micro-mechanics model were used to predict the Young modulus of the composites and compare them with experimental data. The results obtained suggest a synergistic effect between the matrix and the filler enhanced by surface functionalization.     

Tunable electrical properties of C60·m-xylene and the formation of semiconducting ordered amorphous carbon clusters under pressure

Ordered amorphous carbon clusters(OACC)transformed from m-xylene solvated C60(C60m-xylene)are known as the first crystalline material constructed from amorphous...     

Mechanisms of yttrium on the wettability,surface tension and interactions between Ni-20Co-20Cr-10Al-ξY alloys and MgO ceramics

The mechanisms of Y on the wettability,surface tension,and interactions between the Ni-20Co-20Cr-10Al-ξY alloys and MgO ceramics at 1873 K were investigated by sessile drop experiments.The results of nonlinear fitting showed that the equilibrium contact angles and Y concentrations were approximately in accord with the log-normal distribution law.The equilibrium contact angles changed from 101.5 to 140.5° with Y increasing from 0 wt.％to 1.23 wt.％.Cross-sectional microstructure observations revealed that the thermal dissociation of ceramics occurred and the released[O]atoms can react with Y to pro-duce Y2O3 reaction layer along three-phase interphase area.Wetting kinetics analyses indicated that surface tension of the melt droplets had been positively correlated with the Y concentrations,and it increased from 737.8-1045.1 mN/m.Meanwhile,the pinning effect of the rough substrate surface on the three-phase line hindered the spreading of the liquid on ceramics.The change in total free energy of the alloys/ceramics system was considered as the key factor affecting the wettability.Moreover,the surface morphology and thermodynamic stability of ceramics also had some influence on the wettability.     

Effects of multi-walled carbon nanotube (MWCNT) dispersion and compatibilizer on the electrical and rheological properties of polycarbonate/poly(acrylonitrile–butadiene–styrene)/MWCNT composites

In this study, the effects of multi-walled carbon nanotube (MWCNT) dispersion and poly(styrene-co-acrylonitrile)-g-maleic anhydride (SAN-g-MAH) as a compatibilizer on the electrical conductivity, electromagnetic interference shielding effectiveness (EMI SE), and rheological properties of polycarbonate (PC)/poly(acrylonitrile–butadiene–styrene) (ABS)/MWCNT composites were investigated. The morphological results from the scanning and transmission electron microscope images showed that the droplet size of the ABS decreased when the SAN-g-MAH (5 phr) was added to the PC/ABS (80/20) blend. This result suggests that the SAN-g-MAH acts as an effective compatibilizer in the PC/ABS blend. Also, the MWCNT appeared to be located more in the ABS phase (dispersed phase) than in the PC phase (continuous phase). The interfacial tension of the ABS/MWCNT composite was lower than that of the PC–MWCNT composite, and the lower value of interfacial tension of the ABS/MWCNT composite affected the preferred location of the MWCNT in the ABS phase more than in the PC phase. The electrical conductivities and EMI SE of the PC/ABS/MWCNT composite with the compatibilizer were higher than those of the composite without compatibilizer. The complex viscosity of the PC/ABS/MWCNT composite containing the SAN-g-MAH increased with the frequency compared to that of the composite without SAN-g-MAH. This result is possibly due to the increased degree of MWCNT dispersion. The result of rheological properties is consistent with the results of the morphology, electrical conductivity, and EMI SE of the PC/ABS/MWCNT composite.     

Strain rate and oxidation effects on crack initiation at 600 and 650 °C in a nickel-based superalloy

Nickel-based superalloys are sensitive to an oxidation-assisted intergranular crack (OAIC) growth mechanism. Crack initiation during slow strain rate tensile tests is investigated at 600 and 650 °C, at different strain rates, with or without oxidation on a direct-aged material. A V-shaped sample geometry is used to promote damage initiation for a specific stress triaxiality. The critical mechanical loading paths inducing intergranular crack initiation as well as the effect of oxidation are discussed.