High density polyethylene/hydrogenated oligo(cyclopentadiene) blends: Tensile stress-strain behavior

The influence of hydrogenated olio(cyclopentadiene) (HOCP) on tensile mechanical properties of its blends with high density polyethylene (HDPE) has been studied at 20, 80, and 100°C. The nominal stress-strain curves performed at 20°C indicate an increase of the modulus and a conspicuous decrease of the ultimate properties increasing the HOCP content in the blend. Blends with HOCP content > 20%-wt are found to be very fragile at 20°C. These behaviors have been related to the presence of the HOCP-rich phase that has the glass transition at about 55°C. At 20°C the HOCP oligomers act as a hardener for the HDPE. The nominal stress-strain curves performed at 80 and 100°C show a strong decrease of the modulus (compared to the value at 20°C), plastic deformation for all the blends tested, and rupture of HDPE and blend samples at the beginning of the cold-drawing. Moreover, the modulus and the ultimate parameters are found to decrease with the composition. The behaviors at 80 and 100°C have been related to several factors: the higher mobility of HDPE molecules at these temperatures compared to that at 20°C; the HOCP-rich phase that is at temperatures higher than its glass transition, and so it acts as a plasticizer for the HDPE; and the decreases of crystallinity and number of entanglements when the HOCP is added to the HDPE component. ©1995 John Wiley & Sons, Inc.     

Van der corput’s difference theorem

We obtain a sufficient condition for a subsetH of positive integers to satisfy that the equidistribution (mod 1) of the sequences (u _n+h − u _n; n=1, 2, ···) for allh ∈H implies the equidistribution of (u _n). Our condition is satisfied, for example, for the following sets: (1)H={n − m; n ∈ I, m ∈ I, n>m}, whereI is any infinite subset of integers; (2)H={| ψ (n)|; ψ(n)≠0,n ∈ Z}, where ψ is a nonconstant polynomial with integral coefficients having at least one integral zero (modq) for allq=2, 3, ···; (3)H={p+1;p is a prime} andH={p − 1;p is a prime}.     

Chaotic dynamics in optimal monetary policy

There is by now a large consensus in modern monetary policy. This consensus has been built upon a dynamic general equilibrium model of optimal monetary policy as developed by, e.g., Goodfriend and King [NBER Macroeconomics Annual 1997 edited by B. Bernanke and J. Rotemberg (Cambridge, Mass.: MIT Press, 1997), pp. 231–282], Clarida et al. [J. Econ. Lit. 37, 1661 (1999)], Svensson [J. Mon. Econ. 43, 607 (1999)] and Woodford [Interest and Prices: Foundations of a Theory of Monetary Policy (Princeton, New Jersey, Princeton University Press, 2003)]. In this paper we extend the standard optimal monetary policy model by introducing nonlinearity into the Phillips curve. Under the specific form of nonlinearity proposed in our paper (which allows for convexity and concavity and secures closed form solutions), we show that the introduction of a nonlinear Phillips curve into the structure of the standard model in a discrete time and deterministic framework produces radical changes to the major conclusions regarding stability and the efficiency of monetary policy. We emphasize the following main results: (i) instead of a unique fixed point we end up with multiple equilibria; (ii) instead of saddle-path stability, for different sets of parameter values we may have saddle stability, totally unstable equilibria and chaotic attractors; (iii) for certain degrees of convexity and/or concavity of the Phillips curve, where endogenous fluctuations arise, one is able to encounter various results that seem intuitively correct. Firstly, when the Central Bank pays attention essentially to inflation targeting, the inflation rate has a lower mean and is less volatile; secondly, when the degree of price stickiness is high, the inflation rate displays a larger mean and higher volatility (but this is sensitive to the values given to the parameters of the model); and thirdly, the higher the target value of the output gap chosen by the Central Bank, the higher is the inflation rate and its volatility.     

Necrosis Depth and Photodynamic Threshold Dose with Redaporfin-PDT

Predicting the extent of necrosis in photodynamic therapy (PDT) is critical to ensure that the whole tumor is treated but vital structures, such as major blood vessels in the vicinity of the tumor, are spared. The models developed for clinical planning rely on empirical parameters that change with the nature of the photosensitizer and the target tissue. This work presents an in vivo study of the necrosis in the livers of rats due to PDT with a bacteriochlorin photosensitizer named redaporfin using both frontal illumination and interstitial illumination. Various doses of light at 750 nm were delivered 15 min postintravenous administration of redaporfin. Sharp boundaries between necrotic and healthy tissues were found. Frontal illumination allowed for the determination of the photodynamic threshold dose—1.5 × 10¹⁹ photons cm⁻³—which means that the regions of the tissues exposed to more than 11 mm of ROS evolved to necrosis. Interstitial illumination produced a necrotic radius of 0.7 cm for a light dose of 100 J cm⁻¹ and a redaporfin dose of 0.75 mg kg⁻¹. The experimental data obtained can be used to inform and improve clinical planning with frontal and interstitial illumination protocols.     

Riemannian quantum circuit

Number theory is an abstract mathematical field that has found a fertile environment for development in theoretical physics. In particular, several physical systems were related to the zeros of the Riemann-zeta function. In this work we present the theory of a unitary matrix related to a finite number of zeros of the Riemann-zeta function. The equivalent quantum circuit and the calculation of the entanglement of a multipartite quantum state produced by the Riemannian quantum circuit are also shown.     

Alkali metal intercalated titanate nanotubes: A vibrational spectroscopy study

Alkali metal (Li⁺, Na⁺, K⁺) intercalated titanate nanotubes have been studied by vibrational spectroscopy (Raman and FT-infrared), X-ray diffraction, and electron microscopy. The vibrational spectroscopic data shown that the most affected vibrational mode is that related to Ti-O bond whose oxygen is not shared among the TiO₆ units of the framework structure. A correlation between vibrational frequency shifts and intercalated metal was found, thus showing that vibrational spectroscopy is very useful for probing metal intercalated titanate nanotubes. Our results provide good evidences that the structure of titanate layers in titanate nanotube, a subject of long debate in the literature, is similar to trititanates (like Na₂Ti₃O₇).     

Highlighting the mechanisms of the titanate nanotubes to titanate nanoribbons transformation

Titanate nanorods, nanoribbons, and nanofibers synthesized by hydrothermal treatment are being investigated by several groups. Similar to titanate nanotubes, with average diameter of 9 nm, there is a strong controversy regarding the composition and microscopic formation mechanism of these non-hollow nanostructures (nanoribbons). In this article, we report the synthesis and characterization of the titanate nanostructures by exploiting some aspects that were not exploited so far. By using X-ray diffraction, FT-infrared and Raman spectroscopies and electron microscopy, we have studied the intermediate structure and morphology between nanotubes and the non-hollow nanostructures. Our findings give further evidence that the transformation of nanotubes into non-hollow nanostructures is induced by a sequence of both oriented attachment and Ostwald rippening cooperative mechanisms.     

A Spectroscopic Validation of the Improved Lennard–Jones Model

The Lennard–Jones (LJ) and Improved Lennard–Jones (ILJ) potential models have been deeply tested on the most accurate CCSD(T)/CBS electronic energies calculated for some weakly bound prototype systems. These results are important to plan the correct application of such models to systems at increasing complexity. CCSD(T)/CBS ground state electronic energies were determined for 21 diatomic systems composed by the combination of the noble gas atoms. These potentials were employed to calculate the rovibrational spectroscopic constants, and the results show that for 20 of the 21 pairs the ILJ predictions agree more effectively with the experimental data than those of the LJ model. The CCSD(T)/CBS energies were also used to determine the β parameter of the ILJ form, related to the softness/hardness of the interacting partners and controlling the shape of the potential well. This information supports the experimental finding that suggests the adoption of β≈9 for most of the systems involving noble gas atoms. The He-Ne and He-Ar molecules have a lifetime of less than 1ps in the 200–500 K temperature range, indicating that they are not considered stable under thermal conditions of gaseous bulks. Furthermore, the controversy concerning the presence of a “virtual” or a “real” vibrational state in the He2 molecule is discussed.     

Implicit solvation in the self-consistent mean field theory method: sidechain modelling and prediction of folding free energies of protein mutants

The Atomic Solvation Parameter (ASP) model is one of the simplest models of solvation, in which the solvation free energy of a molecule is proportional to the solvent accessible surface area (SAS) of its atoms. However, until now this model had not been incorporated into the Self-Consistent Mean Field Theory (SCMFT) method for modelling sidechain conformations in proteins. The reason for this is that SAS is a many-body quantity and, thus, it is not obvious how to define it within the Mean Field (MF) framework, where multiple copies of each sidechain exist simultaneously. Here, we present a method for incorporating an SAS-based potential, such as the ASP model, into SCMFT. The theory on which the method is based is exact within the MF framework, that is, it does not depend on a pairwise or any other approximation of SAS. Therefore, SAS can be calculated to arbitrary accuracy. The method is computationally very efficient: only 7.6% slower on average than the method without solvation. We applied the method to the prediction of sidechain conformation, using as a test set high-quality solution structures of 11 proteins. Solvation was found to substantially improve the prediction accuracy of well-defined surface sidechains. We also investigated whether the methodology can be applied to prediction of folding free energies of protein mutants, using a set of barnase mutants. For apolar mutants, the modest correlation observed between calculated and observed folding free energies without solvation improved substantially when solvation was included, allowing the prediction of trends in the folding free energies of this type of mutants. For polar mutants, correlation was not significant even with solvation. Several other factors also responsible for the correlation were identified and analysed. From this analysis, future directions for applying and improving the present methodology are discussed.     

Spectroscopic analysis of works of art using a single LIBS and pulsed Raman setup

A nanosecond pulsed laser setup has been optimized to perform laser-induced breakdown spectroscopy (LIBS) and pulsed Raman spectroscopy measurements in the field of cultural heritage. Three different samples of artistic/architectural interest with different typologies have been analyzed. The results from the two techniques allowed the identification of the materials used in their manufacture or contaminating them, probably coming from atmospheric pollution and biological activity. No sampling and sample preparation was required before the measurements, and no visual or structural damage was observed. Depth profiling using LIBS was performed in one of the samples, providing elemental information along the different layers composing the object and covering its surface. The quality of the results and the rather short time needed for the measurements and for switching between techniques confirmed the instrument’s capabilities and specificity for dealing with objects of artistic or historical interest.