Composite and filament models for the mechanical behaviour of elastomeric materials

In this work we present a composite model, which combines the approach of Poisson's function with the filament theory and requires three material parameters. We also suggest the form for a strain-energy function that approximates the constitutive equations of the composite model. Furthermore, a simple asymptotic analysis allows us to reduce the number of material constants to only two, thus, forming a new filament model. The predictive capability of the two models to reproduce the mechanical behaviour of elastomeric materials in deformation experiments is evaluated against the extensive data of Kawabata et al. (Macromolecules 14 (1981) 154). The models give excellent agreement in not only uniaxial and equibiaxial but also non-equibiaxial extension. Although being rather more simplistic in comparison with some successful network models involving non-Gaussian chain statistics, the two models conform much more closely to the classical experimental data of Treloar (Trans. Faraday Soc. 40 (1944) 59).     

Experimental investigation of various turbulator inserts in gas-heated channels

This experimental research was focused on the investigation of the heat transfer augmentation by various turbulator inserts in gas-heated channels. The work was conducted directly in a convective part of a two fire-tube boiler. The flue ducts were positioned vertically and horizontally for various design applications. Twisted-tape insert (with the twist ratio y=4.12), the straight-tape insert, and the combined turbulator insert (the internal twisted tape with the twist ratio of 180° y=2.16 and an external tape, which spirally winded on an internal tape, with longitudinal pitch H_360°=110 mm and the relative height of a tape (rib) e/D₀=0.098;0.2) were investigated. The working fluids were the combustion products of light oil fuel and wood pellets. In addition, the experiments were conducted in the two fire-tube boiler without any inserts. Despite of relatively large data scattering obtained in these experiments some qualitative and quantitative conclusions were drawn.     

Synthesis and Evaluation of GdIII‐Based Magnetic Resonance Contrast Agents for Molecular Imaging of Prostate‐Specific Membrane Antigen

Magnetic resonance (MR) imaging is advantageous because it concurrently provides anatomic, functional, and molecular information. MR molecular imaging can combine the high spatial resolution of this established clinical modality with molecular profiling in vivo. However, as a result of the intrinsically low sensitivity of MR imaging, high local concentrations of biological targets are required to generate discernable MR contrast. We hypothesize that the prostate‐specific membrane antigen (PSMA), an attractive target for imaging and therapy of prostate cancer, could serve as a suitable biomarker for MR‐based molecular imaging. We have synthesized three new high‐affinity, low‐molecular‐weight Gd^III‐based PSMA‐targeted contrast agents containing one to three Gd^III chelates per molecule. We evaluated the relaxometric properties of these agents in solution, in prostate cancer cells, and in an in vivo experimental model to demonstrate the feasibility of PSMA‐based MR molecular imaging.     

Extraction products from <Emphasis Type="Italic">Miscanthus</Emphasis> var. ‘Soranovskii’

The chemical structures of Miscanthus var. ‘Soranovskii’ lignin fractions released via extraction of lignin from the lignocellulosic feedstock using moderately heated acetone under atmospheric pressure, without acidic and alkaline catalysts, were studied. A blend of Miscanthus stems and leaves was pretreated with water under thermobaric conditions. The acetone organosolv process subsequently afforded a substance related to a lignin-like matter-acetone organosolv Miscanthus lignin (AOML). Non-destructive analytical techniques such as FTIR spectroscopy, gas chromatography-mass spectrometry, size-exclusion chromatography, and 2D NMR were used. The IR and NMR spectroscopies revealed the AOML structure to comprise all the three major types of phenylpropane units: guaiacyl (G), syringyl (S), and p-hydroxyphenyl (H). The resultant acetone-organosolv lignin exhibits good solubility in polar solvents, moderate solubility in aromatic chemicals, and is insoluble in non-polar solvents, exhibiting the physicochemical properties of a thermoplastic polymer with a softening point of 67.0°C (onset 33.0°C, endset 81.5°C).     

Slow Effects of Fast Harmonic Excitation for Elastic Structures

High-frequency excitation may affect the slow behavior of a dynamical system. For example, equilibria may move, disappear, or gain or loose stability. We consider such slow effects of fast excitation for a simple mechanical system that incorporates features of many engineering structures. The study is intended to contribute to the general understanding of periodically excited linear and nonlinear systems, as well as to the current attempts to utilize high-frequency excitation for altering the low-frequency properties of structures.     

Direct determination of arsenic in petroleum derivatives by graphite furnace atomic absorption spectrometry: A comparison between filter and platform atomizers

In the present work a direct method for the determination of arsenic in petroleum derivatives has been developed, comparing the performance of a commercial transversely heated platform atomizer (THPA) with that of a transversely heated filter atomizer (THFA). The THFA results in a reduction of background absorption and an improved sensitivity as has been reported earlier for this atomizer. The mixture of 0.1% (m/v) Pd + 0.03% (m/v) Mg + 0.05% (v/v) Triton X-100 was used as the chemical modifier for both atomizers. The samples (naphtha, gasoline and petroleum condensate) were stabilized in the form of a three-component solution (detergentless microemulsion) with the sample, propan-1-ol and 0.1% (v/v) HNO₃ in a ratio of 3.0:6.4:0.6. The characteristic mass of 13 pg found in the THFA was about a factor of two better than that of 28 pg obtained with the THPA; however, the limits of detection (LOD) and quantification (LOQ) were essentially the same for both atomizers (1.9 and 6.2 μg L⁻¹, respectively, for THPA, and 1.8 and 5.9 μg L⁻¹, respectively, for THFA) due to the increased noise observed with the THFA. A possible explanation for that is a partial blockage of the radiation from the hollow cathode lamp by the narrow inner diameter of this tube and the associated loss of radiation energy. Due to the lack of an appropriate certified reference material, recovery tests were carried out with inorganic and organic arsenic standards and the results were between 89% and 111%. The only advantage of the THFA found in this work was a reduction of the total analysis time by about 20% due to the ‘hot injection’ that could be realized with this furnace. The arsenic concentrations varied from < LOQ to 43.3 μg L⁻¹ in the samples analyzed in this work.     

Noncontact method for calibration of lateral forces in scanning force microscopy

This paper describes a noncontact calibration procedure for lateral force microscopy in air and liquids. The procedure is based on the observation that the sensitivity of a force microscope may be calibrated using the raw thermal noise spectrum of the cantilever and its known spring constant, which can be found from the same uncalibrated thermal noise spectrum using Sader's method (Rev. Sci. Instrum.1999, 70, 3967-3969). In addition to the power spectrum of the cantilever thermal noise, this noncontact calibration method only requires knowledge of the plan view dimensions of the cantilever that could be measured using an optical microscope. This method is suitable for in situ force calibration even in viscous fluids through a two-step calibration procedure, where the cantilever thermal spectra are captured both in air and in the desired liquid. The lateral calibration performed with the thermal noise technique agrees well with sensitivity values obtained by the wedge calibration procedure. The approach examined in this paper allows for complete calibration of normal and lateral forces without contacting the surface, eliminating the possibility for any tip damage or contamination during calibration.     

Metal-free inorganic ligands for colloidal nanocrystals: S2-, HS-, Se2-, HSe-, Te2-, HTe-, TeS3(2-), OH-, and NH2- as surface ligands

All-inorganic colloidal nanocrystals were synthesized by replacing organic capping ligands on chemically synthesized nanocrystals with metal-free inorganic ions such as S(2-), HS(-), Se(2-), HSe(-), Te(2-), HTe(-), TeS(3)(2-), OH(-) and NH(2)(-). These simple ligands adhered to the NC surface and provided colloidal stability in polar solvents. The versatility of such ligand exchange has been demonstrated for various semiconductor and metal nanocrystals of different size and shape. We showed that the key aspects of Pearson's hard and soft acids and bases (HSAB) principle, originally developed for metal coordination compounds, can be applied to the bonding of molecular species to the nanocrystal surface. The use of small inorganic ligands instead of traditional ligands with long hydrocarbon tails facilitated the charge transport between individual nanocrystals and opened up interesting opportunities for device integration of colloidal nanostructures.     

Analytic energy gradient for second-order Møller-Plesset perturbation theory based on the fragment molecular orbital method

The first derivative of the total energy with respect to nuclear coordinates (the energy gradient) in the fragment molecular orbital (FMO) method is applied to second order M?ller-Plesset perturbation theory (MP2), resulting in the analytic derivative of the correlation energy in the external self-consistent electrostatic field. The completely analytic energy gradient equations are formulated at the FMO-MP2 level. Both for molecular clusters (H(2)O)(64) and a system with fragmentation across covalent bonds, a capped alanine decamer, the analytic FMO-MP2 energy gradients with the electrostatic dimer approximation are shown to be complete and accurate by comparing them with the corresponding numeric gradients. The developed gradient is parallelized with the parallel efficiency of about 97% on 32 Pentium4 nodes connected by Gigabit Ethernet.