Site-specific ϕ- and ψ-torsion angle determination in a uniformly/extensively 13C- and 15N-labeled peptide

A solid-state rotational-echo double resonance (REDOR) NMR method was introduced to identify the ?- and ψ-torsion angle from a ¹H–¹⁵N or ¹H–¹³C′ spin system of alanine-like residues in a selectively, uniformly, or extensively ¹⁵N-/¹³C-labeled peptide. When a C_α(i) or a ¹⁵N peak is site-specifically obtainable in the NMR spectrum of a uniformly ¹⁵N/¹³C-labeled sample system, the ψ- or ?-torsion angle specified by the conformational structure of peptide geometry involving ¹⁵N(i)–¹H_αi–¹⁵N(i + 1) or ¹³C′(i − 1)–¹H^Ni–¹³C′(i) spin system can be identified based on ¹³C_α- or ¹⁵N-detected ¹H_α–¹⁵N or ¹H_N–¹³C REDOR experiment. This method will conveniently be utilized to identify major secondary motifs, such as α-helix, β-sheet, and β-turn, from a uniformly ¹⁵N-/¹³C-labled peptide sample system. When tested on a ¹³C-/¹⁵N-labeled model system of a three amino acid peptide Gly–[U–¹³C, ¹⁵N]Ala–[U–¹³C, ¹⁵N]Leu, the ψ-angle of alanine obtained experimentally, ψ = −40 ± 30°, agreed reasonably well with the X-ray determined angle, ψ = −39°.     

Vandermonde-like determinants’ representations of Darboux transformations and explicit solutions for the modified Kadomtsev-Petviashvili equation

Recently, the (2+1)-dimensional modified Kadomtsev-Petviashvili (mKP) equation was decomposed into two known (1+1)-dimensional soliton equations by Dai and Geng [H.H. Dai, X.G. Geng, J. Math. Phys. 41 (2000) 7501]. In the present paper, a systematic and simple method is proposed for constructing three kinds of explicit N-fold Darboux transformations and their Vandermonde-like determinants’ representations of the two known (1+1)-dimensional soliton equations based on their Lax pairs. As an application of the Darboux transformations, three explicit multi-soliton solutions of the two (1+1)-dimensional soliton equations are obtained; in particular six new explicit soliton solutions of the (2+1)-dimensional mKP equation are presented by using the decomposition. The explicit formulas of all the soliton solutions are also expressed by Vandermonde-like determinants which are remarkably compact and transparent.     

Frequency-dependent linear and non-linear response properties of single carrier quantum dots: Role of effective mass and anharmonicity in the confinement potential

We explore the pattern of frequency-dependent linear and non-linear optical (NLO) response of one electron quantum dots harmonically confined in two dimensions. For some fixed values of transverse magnetic field strength (ω_c), and harmonic confinement potential (ω₀), the influence of effective mass (m^*) of the system and the symmetry breaking anharmonic interaction on the frequency-dependent linear (α), and the first (β), and second (γ) NLO responses of the dot is computed through linear variational route. The investigation reveals interesting roles played by the anharmonic interaction and effective mass in modulating the response properties.     

A Cahn-Hilliard model in a domain with non-permeable walls

We consider in this article a Cahn-Hilliard model in a bounded domain with non-permeable walls, characterized by dynamic-type boundary conditions. Dynamic boundary conditions for the Cahn-Hilliard system have recently been proposed by physicists in order to account for the interactions with the walls in confined systems and are obtained by writing that the total bulk mass is conserved and that there is a relaxation dynamics on the boundary. However, in the case of non-permeable walls, one should also expect some mass on the boundary. It thus seems more realistic to assume that the total mass, in the bulk and on the boundary, is conserved, which leads to boundary conditions of a different type. For the resulting mathematical model, we prove the existence and uniqueness of weak solutions and study their asymptotic behavior as time goes to infinity.     

Scanning tunneling microscopy/spectroscopy on Au nanoparticles assembled using lauryl amine (LAM) and octadecane thiol (ODT)

In this report, we demonstrate scanning tunneling microscopy and spectroscopy on thin films of lauryl amine (LAM) and octadecane thiol (ODT) protected gold nanoparticles. We show that the zero current in the I-V curves (measure of Coulomb blockade (CB) of the nanoparticles) depends on the properties of the spacer molecule. In both the cases the gap voltage and the tunneling current at which the images are obtained are quite different which is further confirmed from the fitting performed based on the orthodox theory. The values for the capacitance and charging energy obtained from the fitting for ODT capped particles are comparable to the values obtained using spherical capacitor model. In contrast, values of these parameters were found to differ for LAM capped nanoparticles. While imaging, ODT capped nanoparticles were observed to drag along the scan direction leading to ordering of particles. Images of LAM capped gold nanoparticles show local ordering in self-assembly of particles although no evidence of large scale ordering in spatial Fourier transform was seen. These observations suggest that nanoparticles with larger CB would be imaged nonevasively in contrast to small CB systems for which tip induced effects will be dominant. In both the systems the current was found to rise faster than theoretical curves based on the orthodox theory suggesting that mechanism of charge transfer in this case may involve field emission rather than tunneling through a rectangular barrier. An attempt has been made to explain charge transfer based on Fowler-Nordheim (F-N) plots of the I-V curves.     

Complex turing patterns in non-linearly coupled systems

Recently pattern formation in layered structures, showing complicated superimposed patterns, has been modeled by coupling two Turing systems linearly, i.e., passively, such that the characteristic length scales of the independent systems are well separated. Here we propose a model of two non-linearly coupled Turing systems to study pattern formation in layered membrane-like structures, where the coupling plays an active role and changes the kinetics of the uncoupled systems. Extensive numerical simulations show that non-linear coupling generates a number of new regular patterns different from the ones observed earlier with linearly coupled systems. Some of them turn out to be superimposed patterns with different length scales, but many are not. Also, contrary to the linear coupling case, the strength of the non-linear coupling is found to play an important role in the formation and selection of patterns.     

Decay rate with coordinate-dependent diffusion coefficients

Using a master equation for the reduced density matrix of open quantum system, the influence of coordinate-dependent microscopical diffusion coefficients on the decay rate from a potential well is studied. For different temperatures, frictions, heights of barrier and ratios of stiffnesses of the potential in the minimum and on the top of the barrier, the quasistationary decay rates are obtained with the sets of coordinate-dependent and -independent microscopical diffusion coefficients, and coordinate-dependent phenomenological diffusion coefficients.     

Understanding the polarization signal of spherical particles for microwave limb radiances

This paper presents a simple conceptual model to explain that even spherical scatterers lead to a polarization difference signal for microwave limb radiances. The conceptual model relates the polarization difference measured by a limb-looking sensor situated inside a cloud with the anisotropy of the radiation. In the simulations, it was assumed that the cloud consists of spherical ice particles with a radius of which were situated between 10.6 and 12.3 km altitude. The frequencies 318 and 500 GHz were considered.The results of the conceptual model were compared to the results of the fully polarized scattering model ARTS-1-1. The comparison showed a good qualitative agreement. The polarization difference decreases inside the cloud with increasing height and changes sign. This behavior can be related to a different amount of radiation coming from the atmosphere above and below the cloud, compared to the amount of radiation coming from the sides. The sign of polarization difference of the scattered radiation is opposite for these two radiation sources.     

Description of the transport critical current density behavior of polycrystalline superconductors as a function of the applied magnetic field

A model to describe the critical current density behavior of high-T_c polycrystalline superconductors is proposed for all magnetic field values. The main features of the model are as follows: the transport critical current density is controlled by the weak-link network at grain boundaries. The size distribution of weak links is well represented by a Gamma-type distribution. Finally, the tunneling critical current between grains follows a Fraunhofer diffraction pattern or a modified pattern if the applied magnetic field is lower or higher than the first critical field H_c1.