Static and Dynamic Anomalies in a Repulsive Spherical Ramp Liquid: Theory and Simulation

We compare theoretical and simulation results for static and dynamic properties for a model of particles interacting via a spherically symmetric repulsive ramp potential. The model displays anomalies similar to those found in liquid water, namely, expansion upon cooling and an increase of diffusivity upon compression. In particular, we calculate the phase diagram from the simulation and successfully compare it with the phase diagram obtained using the Rogers-Young (RY) closure for the Ornstein-Zernike equation. Both the theoretical and the numerical calculations confirm the presence of a line of isobaric density maxima, and lines of compressibility minima and maxima. Indirect evidence of a liquid-liquid critical point is found. Dynamic properties also show anomalies. Along constant temperature paths, as the density increases, the dynamics alternates several times between slowing down and speeding up, and we associate this behavior with the progressive structuring and de-structuring of the liquid. Finally we confirm that mode coupling theory successfully predicts the non-monotonic behavior of dynamics and the presence of multiple glass phases, providing strong evidence that structure (the only input of mode coupling theory) controls dynamics.Comment: Static and Dynamic Anomalies in a Repulsive Spherical Ramp Liquid: Theory and Simulatio

Exact quantization of a PT-symmetric (reversible) Li\'enard-type nonlinear oscillator

We carry out an exact quantization of a PT symmetric (reversible) Li\'{e}nard type one dimensional nonlinear oscillator both semiclassically and quantum mechanically. The associated time independent classical Hamiltonian is of non-standard type and is invariant under a combined coordinate reflection and time reversal transformation. We use von Roos symmetric ordering procedure to write down the appropriate quantum Hamiltonian. While the quantum problem cannot be tackled in coordinate space, we show how the problem can be successfully solved in momentum space by solving the underlying Schr\"{o}dinger equation therein. We obtain explicitly the eigenvalues and eigenfunctions (in momentum space) and deduce the remarkable result that the spectrum agrees exactly with that of the linear harmonic oscillator, which is also confirmed by a semiclassical modified Bohr-Sommerfeld quantization rule, while the eigenfunctions are completely different.Comment: 10 pages, 1 figure, Fast Track Communicatio

Effects of Next-Nearest-Neighbor Hopping on the Hole Motion in an Antiferromagnetic Background

In this paper we study the effect of next-nearest-neighbor hopping on the dynamics of a single hole in an antiferromagnetic (N\'{e}el) background. In the framework of large dimensions the Green function of a hole can be obtained exactly. The exact density of states of a hole is thus calculated in large dimensions and on a Bethe lattice with large coordination number. We suggest a physically motivated generalization to finite dimensions (e.g., 2 and 3). In $d=2$ we present also the momentum dependent spectral function. With varying degree, depending on the underlying lattice involved, the discrete spectrum for holes is replaced by a continuum background and a few resonances at the low energy end. The latter are the remanents of the bound states of the $t-J$ model. Their behavior is still largely governed by the parameters $t$ and $J$. The continuum excitations are more sensitive to the energy scales $t$ and $t_1$.Comment: To appear in Phys. Rev. B, Revtex, 23 pages, 10 figures available on request from [email protected]

Aniline incorporated silica nanobubbles

We report the synthesis of stearate functionalized nanobubbles of SiO2 with a few aniline molecules inside, represented as C6H5NH2@SiO2@stearate, exhibiting fluorescence with red-shifted emission. Stearic acid functionalization allows the materials to be handled just as free molecules, for dissolution, precipitation, storage etc. The methodology adopted involves adsorption of aniline on the surface of gold nanoparticles with subsequent growth of a silica shell through monolayers, followed by the selective removal of the metal core either using sodium cyanide or by a new reaction involving halocarbons. The material is stable and can be stored for extended periods without loss of fluorescence. Spectroscopic and voltammetric properties of the system were studied in order to understand the interaction of aniline with the shell as well as the monolayer, whilst transmission electron microscopy has been used to study the silica shell

Thermodynamics, Structure, and Dynamics of Water Confined between Hydrophobic Plates

We perform molecular dynamics simulations of 512 water-like molecules that interact via the TIP5P potential and are confined between two smooth hydrophobic plates that are separated by 1.10 nm. We find that the anomalous thermodynamic properties of water are shifted to lower temperatures relative to the bulk by $\approx 40$ K. The dynamics and structure of the confined water resemble bulk water at higher temperatures, consistent with the shift of thermodynamic anomalies to lower temperature. Due to this $T$ shift, our confined water simulations (down to $T = 220$ K) do not reach sufficiently low temperature to observe a liquid-liquid phase transition found for bulk water at $T\approx 215$ K using the TIP5P potential. We find that the different crystalline structures that can form for two different separations of the plates, 0.7 nm and 1.10 nm, have no counterparts in the bulk system, and discuss the relevance to experiments on confined water.Comment: 31 pages, 14 figure

Deep coverage whole genome sequences and plasma lipoprotein(a) in individuals of European and African ancestries.

Lipoprotein(a), Lp(a), is a modified low-density lipoprotein particle that contains apolipoprotein(a), encoded by LPA, and is a highly heritable, causal risk factor for cardiovascular diseases that varies in concentrations across ancestries. Here, we use deep-coverage whole genome sequencing in 8392 individuals of European and African ancestry to discover and interpret both single-nucleotide variants and copy number (CN) variation associated with Lp(a). We observe that genetic determinants between Europeans and Africans have several unique determinants. The common variant rs12740374 associated with Lp(a) cholesterol is an eQTL for SORT1 and independent of LDL cholesterol. Observed associations of aggregates of rare non-coding variants are largely explained by LPA structural variation, namely the LPA kringle IV 2 (KIV2)-CN. Finally, we find that LPA risk genotypes confer greater relative risk for incident atherosclerotic cardiovascular diseases compared to directly measured Lp(a), and are significantly associated with measures of subclinical atherosclerosis in African Americans

Temperature-dependent Raman study of CeFeAsO0.9F0.1 Superconductor: Crystal field excitations, phonons and their coupling

We report temperature-dependent Raman spectra of CeFeAsO0.9F0.1 from 4 K to 300 K in spectral range of 60 to 1800 cm-1 and interpret them using estimates of phonon frequencies obtained from first-principles density functional calculations. We find evidence for a strong coupling between the phonons and crystal field excitations; in particular Ce3+ crystal field excitation at 432 cm-1 couples strongly with Eg oxygen vibration at 389 cm-1 . Below the superconducting transition temperature, the phonon mode near 280 cm-1 shows softening, signaling its coupling with the superconducting gap. The ratio of the superconducting gap to Tc thus estimated to be ~ 10 suggests CeFeAsO0.9F0.1 as a strong coupling superconductor. In addition, two high frequency modes observed at 1342 cm-1 and 1600 cm-

Microalgae production in fresh market wastewater and its utilization as a protein substitute in formulated fish feed for oreochromis spp.

Rapid growing of human population has led to increasing demand of aquaculture production. Oreochromis niloticus or known as tilapia is one of the most globally cultured freshwater fish due to its great adaptation towards extreme environment. Besides, farming of tilapia not only involves small scales farming for local consumption but also larger scales for international market which contributes to a foreign currency earning. Extensive use of fishmeal as feed for fish and for other animals indirectly caused an increasing depletion of the natural resource and may consequently cause economic and environmental unstable. Microalgae biomass seems to be a promising feedstock in aquaculture industry. It can be used for many purposes such as live food for fish larvae and dried microalgae to substitute protein material in fish feed. The microalgae replacement in fish feed formulation as protein alternative seem potentially beneficial for long term aqua-business sustainability. The present chapter discussed the potential of microalgae as an alternative nutrition in fish feed formulations, specifically Tilapia

Building block libraries and structural considerations in the self-assembly of polyoxometalate and polyoxothiometalate systems

Inorganic metal-oxide clusters form a class of compounds that are unique in their topological and electronic versatility and are becoming increasingly more important in a variety of applications. Namely, Polyoxometalates (POMs) have shown an unmatched range of physical properties and the ability to form structures that can bridge several length scales. The formation of these molecular clusters is often ambiguous and is governed by self-assembly processes that limit our ability to rationally design such molecules. However, recent years have shown that by considering new building block principles the design and discovery of novel complex clusters is aiding our understanding of this process. Now with current progress in thiometalate chemistry, specifically polyoxothiometalates (POTM), the field of inorganic molecular clusters has further diversified allowing for the targeted development of molecules with specific functionality. This chapter discusses the main differences between POM and POTM systems and how this affects synthetic methodologies and reactivities. We will illustrate how careful structural considerations can lead to the generation of novel building blocks and further deepen our understanding of complex systems