Generation of high-energy, sub-20-fs pulses in the deep ultraviolet by using spectral broadening during filamentation in argon

Generation of sub-20-fs UV pulses with more than 300 μJ energy at 268 nm is reported. First, the UV pulses are produced by successive second-harmonic and third-harmonic (TH) generation of 805 nm pulses of a 1 kHz Ti:sapphire laser amplifier. The spectral broadening of TH pulses is realized in a filament, generated in argon. The produced pulses are compressed in a simple double-pass prism-pair compressor. Starting from 100 fs pulses, we achieve a fivefold pulse shortening.     

Thermal decomposition pathway of undoped and doped zinc layered gallate nanohybrid with Fe3+, Co2+ and Ni2+ to produce mesoporous and high pore volume carbon material

A series of brucite-like materials, undoped and doped zinc layered hydroxide nitrate with 2% (molar) Fe³⁺, Co²⁺ and Ni²⁺ were synthesized. Organic–inorganic nanohybrid material with gallate anion as a guest, and zinc hydroxide nitrate, as an inorganic layered host was prepared by the ion-exchange method. The nanohybrid materials were heat-treated at various temperatures, 400–700 °C. X-ray diffraction, thermal analysis and also Fourier transform infrared results showed that incorporation of the doping agents within the zinc layered hydroxide salt layers has enhanced the heat-resistivity of the nanohybrid materials in the thermal decomposition pathway. Porous carbon materials can be obtained from the heat-treating the nanohybrids at 600 and 700 °C. Calcination of the nanohybrids at 700 °C under nitrogen atmosphere produces mesoporous and high pore volume carbon materials.     

The effect of polymers onto the size of zinc layered hydroxide salt and its calcined product

Zinc hydroxide nitrate, a brucite-like layered material was synthesized using pH control method. Poly(vinyl alcohol) and poly(ethylene glycol) were used at various percentages as size decreasing agents during the synthesis of zinc hydroxide nitrate. SEM and PXRD showed the decrease of size and thickness of the resultant zinc hydroxide nitrates. TG and surface area data confirmed the decrease of the particle sizes, too. When zinc hydroxide nitrates were heat treated at 500 °C, the physical properties of nano zinc oxides obtained depended on the parent material, zinc hydroxide nitrate.     

Striking patterns in natural magic squares’ associated electrostatic potentials: Matrices of the 4th and 5th order

A magic square is a square matrix whereby the sum of any row, column, or any one of the two principal diagonals is equal. A surrogate of this abstract mathematical construct, introduced in 2012 by Fahimi and Jaleh, is the “electrostatic potential (ESP)” that results from treating the matrix elements of the magic square as electric charges. The overarching idea is to characterize patterns associated with these matrices that can possibly be used, in the future, in reverse to generate these squares. This study focuses on squares of order 4 and 5 with 880 and 275,305,224 distinct (irreducible/unique) realizations, respectively. It is shown that characteristic patterns emerge from plots of the ESPs of the matrices representing the studied squares. The electrostatic potentials for natural magic squares exhibit a striking pattern of maxima and minima in all distinct 880 of the 4th order and all distinct 275,305,224 of the 5th order matrices. The minimum values of ESP of Dudeney groups are discussed. Equipotential points and certain constants are found among the ESP sums along horizontal and vertical lines on the square lattice. These findings may help to open a new perspective regarding magic squares unsolved problems. While mathematics often leads discovery in physics, the latter (physics) is used here to detect otherwise invisible patterns in a mathematical object such as magic squares.     

A modified square well model in obtaining the surface tension of pure and binary mixtures of hydrocarbons

A model based on the perturbation theory of fluids was proposed to correlate the experimental data for surface tension of pure hydrocarbons in a wide range of temperature. The results obtained for the pure hydrocarbons were directly used to predict the surface tension for binary hydrocarbon mixtures at various temperatures. In the proposed model, a modified form of the square well potential energy between the molecules of the reference fluid was taken into account while the Lennard–Jones dispersion energy was considered to be dominant amongst the molecules as the perturbed term to the reference part of the model. In general, the proposed model has three adjustable parameters which are chain length, m, size, σ, and energy, ε/κ, parameters, but in some cases the number of parameters was reduced to two, thereby setting the chain length to be unity for pure hydrocarbons. The regressed values of these parameters were obtained using the experimental data for pure hydrocarbons at different temperatures. The results showed that these parameters can be related to the molar mass of hydrocarbons. The model was also extended to predict the surface tension of binary hydrocarbon mixtures using the parameters obtained for the pure compounds. It is worth noting that no additional parameter has been introduced into the model in the extension of the model to the mixtures studied in this work. The results showed that the proposed model can accurately correlate the surface tension of pure hydrocarbons. Also the results showed that the surface tension for binary mixture of hydrocarbons can be accurately predicted using the proposed model over a wide temperature range.     

Comparison of metabolic soft spot predictions of CYP3A4, CYP2C9 and CYP2D6 substrates using MetaSite and StarDrop

Metabolite identification study plays an important role in determining the sites of metabolic liability of new chemical entities (NCEs) in drug discovery for lead optimization. Here we compare the two predictive software, MetaSite and StarDrop, available for this purpose. They work very differently but are used to predict the site of oxidation by major human cytochrome P450 (CYP) isoforms. Neither software can predict non-CYP catalyzed metabolism nor the rates of metabolism. For the purpose of comparing the two software packages, we tested known probe substrate for these enzymes, which included 12 substrates of CYP3A4 and 18 substrates of CYP2C9 and CYP2D6 were analyzed by each software and the results were compared. It is possible that these known substrates were part of the training set but we are not aware of it. To assess the performance of each software we assigned a point system for each correct prediction. The total points assigned for each CYP isoform experimentally were compared as a percentage of the total points assigned theoretically for the first choice prediction for all substrates for each isoform. Our results show that MetaSite and StarDrop are similar in predicting the correct site of metabolism by CYP3A4 (78% vs 83%, respectively). StarDrop appears to do slightly better in predicting the correct site of metabolism by CYP2C9 and CYP2D6 metabolism (89% and 93%, respectively) compared to MetaSite (63% and 70%, respectively). The sites of metabolism (SOM) from 34 in-house NCEs incubated in human liver microsomes or human hepatocytes were also evaluated using two prediction software packages and the results showed comparable SOM predictions. What makes this comparison challenging is that the contribution of each isoform to the intrinsic clearance (Clint) is not known. Overall the software were comparable except for MetaSite performing better for CYP2D6 and that MetaSite has a liver model that is absent in StarDrop that predicted with 82% accuracy.     

Hierarchical self-assembly of actin bundle networks: gels with surface protein skin layers

The networklike structure of actin bundles formed with the cross-linking protein alpha-actinin has been investigated via x-ray scattering and confocal fluorescence microscopy over a wide range of alpha-actinin/F-actin ratios. We describe the hierarchical structure of bundle gels formed at high ratios. Isotropic actin bundle gels form via cluster-cluster aggregation in the diffusion-limited aggregation regime at high alpha-actinin/actin ratios. This process is clearly observed by confocal fluorescence microscopy. Polylysine is investigated as an alternative bundling agent in the high-ratio regime and the effects of F-actin length are also discussed. One particularly fascinating aspect of this system is the presence of a structured skin layer at the gel/water interface. Confocal microscopy has elucidated the full three-dimensional structure of this layer and revealed several interesting morphologies. The protein skin layer is a micron-scale structure composed of a directed network of bundles and exhibits flat, crumpled, and tubelike shapes. We show that crumpling of the skin layer results from stresses due to the underlying gel. These biologically based geometric structures may detach from the gel, demonstrating potential for the generation of biological scaffolds with defined shapes for applications in cell encapsulation and tissue engineering. We demonstrate manipulation of the skin layer, producing hemispherical structures in solution.