Universal fractional Euler-Lagrange equation from a generalized fractional derivate operator

The purpose of this paper is to extend the fractional actionlike variational approach by introducing a generalized fractional derivative operator. The generalized fractional formalism introduced through this work includes some interesting features concerning the fractional Euler-Lagrange and Hamilton equations. Additional attractive features are explored in some details.     

Influence of co-solvent on the rheological behavior of aqueous viscoelastic surfactant solutions

We have studied the influence of glycerol on the rheological behavior of viscoelastic surfactant solutions. The measurements were carried out on the system CTAB and NaSal. This system shows two viscosity maxima with increasing NaSal concentration. When water is replaced by glycerol, the viscosities and the structural relaxation times at the viscosity maxima decrease while they increase at the viscosity minimum. As a result of the opposite changes the two maxima are replaced by a single maxima when 40% water is replaced by glycerol. The change of the viscosities is a consequence of a change of the structural relaxation times while the storage moduli remain constant. The opposite changes are a result of different mechanisms for the relaxation times. At the maxima, the relaxation times are reptation controlled and depend on the intermicellar interaction energy. At the minimum, relaxation times are kinetically controlled and depend on the intramolecular interaction.     

Use of a QM/MM-based FEP method to evaluate the anomalous hydration behavior of simple alkyl amines and amides: application to the design of FBPase inhibitors for the treatment of type-2 diabetes

Standard molecular mechanics (MM) force fields predict a nearly linear decrease in hydration free energy with each successive addition of a methyl group to ammonia or acetamide, whereas a nonadditive relationship is observed experimentally. In contrast, the non-additive hydration behavior is reproduced directly using a quantum mechanics (QM)/MM-based free-energy perturbation (FEP) method wherein the solute partial atomic charges are updated at every window. Decomposing the free energies into electrostatic and van der Waals contributions and comparing the results with the corresponding free energies obtained using a conventional FEP method and a QM/MM method wherein the charges are not updated suggests that inaccuracies in the electrostatic free energies are the primary reason for the inability of the conventional FEP method to predict the experimental findings. The QM/MM-based FEP method was subsequently used to evaluate inhibitors of the diabetes drug target fructose-1,6-bisphosphatase adenosine 5'-monophosphate and 6-methylamino purine riboside 5'-monophosphate. The predicted relative binding free energy was consistent with the experimental findings, whereas the relative binding free energy predicted using the conventional FEP method differed from the experimental finding by an amount consistent with the overestimated relative solvation free energies calculated for alkylamines. Accordingly, the QM/MM-based FEP method offers potential advantages over conventional FEP methods, including greater accuracy and reduced user input. Moreover, since drug candidates often contain either functionality that is inadequately treated by MM (e.g., simple alkylamines and alkylamides) or new molecular scaffolds that require time-consuming development of MM parameters, these advantages could enable future automation of FEP calculations as well as greatly increase the use and impact of FEP calculations in drug discovery.     

New Constituents from the Leaves of Date Palm (Phoenix dactylifera L.) of Saudi Origin

The phytochemical analysis of the butanolic extract from the leaves of date palm of Saudi origin resulted in the isolation of three major constituents, oleanolic acid (1), vanillyl alcohol (2), and β-sitosterol-3-O-β-d-glucoside (3), which had not been isolated from this plant or previously reported. Together, compounds 1 and 2 account for 1.0% of the butanol extract, which represents 0.4% of the mass of the dried leaves. The isolation of other known compounds for this plant such as fatty acids, lutein, and sucrose was also achieved in this study. The characterization and identification of the isolated compounds were conducted on the basis of Fourier-transform infrared spectroscopy (FTIR), ¹H and ¹³C nuclear magnetic resonance (NMR), liquid chromatography–mass spectrometry (LC–MS), and gas chromatography–mass spectrometry (GC–MS) analyses. The findings of the current study will definitely increase the knowledge about the contribution of the constituents of this plant to its well-known nutrition, corrosion inhibition, and antimicrobial properties.     

Multi-Enzyme Inhibition Assay for Detection of Insecticidal Organophosphates and Carbamates by High-Performance Thin-Layer Chromatography. 1. Basics of Method Development

JPC – Journal of Planar Chromatography – Modern TLC - A recently introduced microtiter-plate multienzyme-inhibition assay using rabbit liver esterase (RLE), Bacillus subtilis (BS2)...     

On oscillatory and asymptotic behavior of fourth order nonlinear neutral delay dynamic equations with positive and negative coefficients

In this paper, oscillatory and asymptotic properties of solutions of nonlinear fourth order neutral dynamic equations of the form $(r(t)(y(t) + p(t)y(\alpha _1 (t)))^{\Delta ^2 } )^{\Delta ^2 } + q(t)G(y(\alpha _2 (t))) - h(t)H(y(\alpha _3 (t))) = 0(H)$ and $(r(t)(y(t) + p(t)y(\alpha _1 (t)))^{\Delta ^2 } )^{\Delta ^2 } + q(t)G(y(\alpha _2 (t))) - h(t)H(y(\alpha _3 (t))) = f(t),(NH)$ are studied on a time scale $\mathbb{T}$ under the assumption that $\int\limits_{t_0 }^\infty {\tfrac{t} {{r(t)}}\Delta t = \infty } $ and for various ranges of p(t). In addition, sufficient conditions are obtained for the existence of bounded positive solutions of the equation (NH) by using Krasnosel’skii’s fixed point theorem.     

Synthesis of a 10,000-membered library of molecules resembling carpanone and discovery of vesicular traffic inhibitors

Split-and-pool synthesis of a 10,000-membered library of molecules resembling the natural product carpanone has been achieved. The synthesis features development of solid-phase multicomponent reactions between nitrogen nucleophiles, enones, and hydroxylamines, and a solid-phase application of the Huisgen cycloaddition affording substituted triazoles. The synthesis was performed in high-capacity (500 microm) polystyrene beads using a one bead-one stock solution strategy that enabled phenotypic screens of the resulting library. Using whole-cell fluorescence imaging, we discovered a series of molecules from the carpanone-based library that inhibit exocytosis from the Golgi apparatus. The most potent member of this series has an IC(50) of 14 microM. We also report structure-activity relationships for the molecules exhibiting this interesting phenotype. These inhibitors of exocytosis may be useful reagents for the study of vesicular traffic.     

Oscillating Flat FRW Dark Energy Dominated Cosmology from Periodic Functional Approach

I discuss the modification of Einstein＇s Theory of General Relativity based on a periodic functional approach. In this new approach, a corrected periodic gravitational coupling constant arises and plays the role of periodic damping term acting on the theory. It is found that it is achievable to have an oscillating universe dominated by dark energy and expanding aceeleratedly in time.     

Living with phantoms fields in a sheet spacetime

We consider the flat anisotropic Bianchi I braneworld model of the universe within the framework of low energy effective string action in four-dimensions including the leading order α′ terms, two-scalar fields, their interaction, non-minimal coupling of the dark-energy scalar field to the scalar curvature and effective cosmological constant. Backward (high energy limit) and forward (low energy limit) in time analytic solutions are derived and late-time accelerated expansion was found. It is shown that during the transition from high energy limit to the low energy limit, the topology of the universe is changing in time: we have a transition from a (1 + 3) FRW homogenous and isotropic spacetime dominated by radiation to a (1 + 2) spacetime sheet dominated by phantom energy while the third spatial dimension is contracted in time. We have also found that dark matter and dark energy may be unified at early epoch in the form of radiation fluids while the late-time dynamics is governed by phantom energy and dark energy. Many interesting features are revealed.     

Photomagnetism and photoluminescence (PL) of (Pb-Fe-e(-)) complex in lead magnesium niobate-lead titanate (PMN-PT) crystals containing beta-PbO nanoclusters

We present electron paramagnetic resonance (EPR)--evidence of photomagnetism under the conditions of in situ green laser illumination (photo-EPR) in lead magnesium niobate-lead titanate, Pb(Mg,Nb)O3-PbTiO3 (PMN-PT), containing nanoparticles/wires of orthorhombic beta-PbO as identified by Raman spectroscopy. Photo-EPR studies of the sample containing beta-PbO, brownish red in color, have shown intense line at g=2.00, and its yield increased when produced in the presence of 7.5 kG external magnetic field suggesting the formation of magnetic polaron. This was identified as due to interaction between Fe3+, photoinduced Pb3+ and unpaired electron trapped at oxygen vacancies. The photoinduced growth and decay of magnetic polaron has shown a non-exponential behavior. Photoluminescence (PL) studies were conducted with excitation at 308 nm (XeCl laser) and also at 454.5, 488 and 514.5 nm using Ar+ laser. The excitation with 308 nm gave broad PL centered at 500 and 710 nm the latter being quite prominent in beta-PbO containing crystals, along with cooperative luminescence at 350 nm involving two emitting centers. The excitation with Ar+ laser lines, close to the electronic absorption in samples containing beta-PbO gave richer and sharp PL emission in red region from the constituents of the magnetic polaron and also intense anti-Stokes emission on excitation with 514.5 nm radiation. This appears to be due to phototransfer optically stimulated luminescence (PT-OSL) involving electron-hole recombination at photoinduced magnetic polaron site.