Gel- and Solid-State-Structure of Dialanine and Diphenylalanine Amphiphiles: Importance of C⋅⋅⋅H Interactions in Gelation

To investigate the role of the capping group in the solution and solid-state self-assembly of short peptide amphiphiles, dialanine and diphenylalanine have been linked via the N-terminus to a benzene (phenyl) and 3-naphthyl capping groups using three different methylene linkers; (CH₂)_n, n=0–4 for the benezene and 0, 1 and 2 for the naphthalene capping group. Atomic force microscopy (AFM), oscillatory rheology, circular dichroism (CD), and IR analysis have been employed to understand the properties of these peptide-based hydrogels. Several X-ray structures of these short peptide gelators give useful conformational information regarding packing. A comparison of these solid state structures with their gel state properties yielded greater insights into the process of self-assembly in short peptide gelators, particularly in terms of the important role of C⋅⋅⋅H interactions appear to play in determining if a short aromatic peptide does form a gel or not.     

Structure and electronic properties of native and defected gallium nitride nanotubes

Structure and electronic properties of GaN nanotubes (GaNNTs) are investigated by using ab initio density functional theory. By full optimization, the optimized structures (bond-lengths and angles between them) of zigzag GaNNTs (n,0) and armchair GaNNTs (n,n) (4<n<11) are calculated. The difference between nitrogen ring diameter and gallium ring diameter (buckling distance) and semiconducting energy gap in term of diameter for zigzag and armchair GaNNTs have also been calculated. We found that buckling distance decreases by increasing nanotube diameter. Furthermore, we have investigated the effects of nitrogen and gallium vacancies on structure and electronic properties of zigzag GaNNT (5,0) using spin dependent density functional theory. By calculating the formation energy, we found that N vacancy in GaNNT (5,0) is more favorable than Ga vacancy. The nitrogen vacancy in zigzag GaNNT induces a 1.0μB magnetization and makes a polarized structure. We have shown that in polarized GaNNT a flat band near the Fermi energy splits to occupied spin up and unoccupied spin down levels.     

Cosmic string in the BTZ black hole background with time-dependent tension

In this Letter, we study the equation of circular loops with time-dependent tension in the BTZ black hole background. We obtain various cases where cosmic string loops finally collapse to form black holes. Also, we study effect of the BTZ black hole mass and angular momentum on the evolution of cosmic string loops. We find the critical values of initial radii as a limit for the cosmic string loops collapsing to form black holes.     

Time-Dependent Density of Modified Cosmic Chaplygin Gas with Variable Cosmological Constant in Non-Flat Universe

In this paper we study modified cosmic Chaplygin cosmology with non-zero cosmological constant in non-flat Universe. By using well-known forms of scale factor we obtain time-dependent dark energy density by numerical analysis of non-linear differential equation and fitting curves. We use observational data to fix solution and discuss about stability of our system. First of all we consider cosmological constant as a constant in Einstein equation, and then study possibility of variable cosmological constant.     

Dynamical Calculation of Θ+ Mass and Decay width in the Quark Model

In this paper we study the mass splitting and the decay width of pentaquark (Θ⁺) at the ground states in the framework of flux tube, quark delocalization and color screening model. We consider the pentaquark as diquark-triquark configuration and obtained closer values of mass splitting and the decay width of Θ⁺ to the experimental data.     

Accurate estimation of Brillouin frequency shift in Brillouin optical time domain analysis sensors using cross correlation

Current methods of estimating the Brillouin frequency shift in Brillouin optical time domain analysis sensors are based on curve-fitting techniques. These techniques apply the same weight to all portions of the curve and dutifully fit into the peak and noisy ends of the curve. This makes them very sensitive to noise, initialization of fitting parameters, symmetry, and start and stop frequencies. We introduce a method based on the cross-correlation technique to estimate the central frequency of noisy Lorentzian curves, which is more robust to noise and free from initial settings of fitting parameters.     

Evaluating Ecohydrological Model Sensitivity to Input Variability with an Information-Theory-Based Approach

Ecohydrological models vary in their sensitivity to forcing data and use available information to different extents. We focus on the impact of forcing precision on ecohydrological model behavior particularly by quantizing, or binning, time-series forcing variables. We use rate-distortion theory to quantize time-series forcing variables to different precisions. We evaluate the effect of different combinations of quantized shortwave radiation, air temperature, vapor pressure deficit, and wind speed on simulated heat and carbon fluxes for a multi-layer canopy model, which is forced and validated with eddy covariance flux tower observation data. We find that the model is more sensitive to radiation than meteorological forcing input, but model responses also vary with seasonal conditions and different combinations of quantized inputs. While any level of quantization impacts carbon flux similarly, specific levels of quantization influence heat fluxes to different degrees. This study introduces a method to optimally simplify forcing time series, often without significantly decreasing model performance, and could be applied within a sensitivity analysis framework to better understand how models use available information.     

Antifungal Activity of Soft Tissue Extract from the Garden Snail Helix aspersa (Gastropoda,Mollusca)

Gastropods comprise approximately 80% of molluscans, of which land snails are used variably as food and traditional medicines due to their high protein content. Moreover, different components from land snails exhibit antimicrobial activities. In this study, we evaluated the antifungal activity of soft tissue extracts from Helix aspersa against Candida albicans, Aspergillus flavus, and Aspergillus brasiliensis by identifying extract components using liquid chromatography-tandem mass spectrometry (LC-MS-MS). Two concentrations of three extracts (methanol, acetone, and acetic acid) showed antifungal activity. Both acetone (1 g/3 mL) and acetic acid extracts (1 g/mL) significantly inhibited C. albicans growth (p = 0.0001, 5.2 ± 0.2 mm and p = 0.02, 69.7 ± 0.6 mm, respectively). A. flavus and A. brasiliensis growth were inhibited by all extracts at 1 g/mL, while inhibition was observed for acetic acid extracts against A. brasiliensis (p = 0.02, 50.3 ± 3.5 mm). The highest growth inhibition was observed for A. flavus using acetic acid and acetone extracts (inhibition zones = 38 ± 1.7 mm and 3.1 ± 0.7 mm, respectively). LC-MS-MS studies on methanol and acetone extracts identified 11-α-acetoxyprogesterone with a parent mass of 372.50800 m/z and 287.43500 m/z for luteolin. Methanol extracts contained hesperidin with a parent mass of 611.25400 m/z, whereas linoleic acid and genistein (parent mass = 280.4 and 271.48900 m/z, respectively) were the main metabolites.     

Theoretical Study of NO Linkage Isomers in a Rhenacarborane Nitrosyl Complex

Russian Journal of Physical Chemistry A - This research demonstrates the stability of linkage isomers of [1,2-H2-3,3-(CO)2-3-X-closo-3,1,2-ReC2B9H9]; X = η1-NO, η2-NO, η1-ON by the...