Influence of TMAO and urea on the structure of water studied by inelastic X-ray scattering

We present a study on the influence of the naturally occurring organic osmolytes tri-methylamine N-oxide (TMAO) and urea on the bulk structure of water using X-ray Raman scattering spectroscopy. Addition of TMAO is known to stabilize proteins in otherwise destabilizing aqueous urea solutions. The experimental X-ray Raman scattering spectra change systematically with increasing solute concentration revealing different effects on the structure of water due to the presence of the two osmolytes. Although these effects are distinct for both molecular species, they have mutually compensating influences on the spectra of the ternary water-TMAO-urea mixtures. This compensation effect seen in the spectra vanishes only at the highest studied ternary concentration of 4 M: 4 M (TMAO : urea). Our experiment shows that the hydrogen-bonding structure of water remains rather intact in the presence of the aforementioned osmolytes if both of them are present.Peer reviewe

Concentration dependent effects of urea binding to poly(N-isopropylacrylamide) brushes: a combined experimental and numerical study

The binding effects of osmolytes on the conformational behavior of grafted polymers are studied in this work. In particular, we focus on the interactions between urea and poly(N-isopropylacrylamide) (PNIPAM) brushes by monitoring the ellipsometric brush thickness for varying urea concentrations over a broad temperature range. The interpretation of the obtained data is supported by atomistic molecular dynamics simulations, which provide detailed insights into the experimentally observed concentration-dependent effects on PNIPAM-urea interaction. In particular, in the low concentration regime (c(u) = 2 mol L-1, the lower T-tr is explained by the favorable replacement of water molecules by urea, which can be regarded as a cross-linker between adjacent PNIPAM chains. Significant effects of the concentration-dependent urea binding on the brush conformation are noticed: at c(u) <= 0.5 mol L-1, although urea is loosely embedded between the hydrated polymer chains, it enhances the brush swelling by excluded volume effects. Beyond 0.5 mol L-1, the stronger interaction between PNIPAM and urea reduces the chain hydration, which in combination with cross-linking of monomer units induces the shrinkage of the polymer brush.DFG, EXC 310, SimulationstechnikDFG, SFB 716, Dynamische Simulation von Systemen mit großen TeilchenzahlenDFG, GRK 1524, Self-Assembled Soft-Matter Nanostructures at Interface

Clustering in ferronematics : The effect of magnetic collective ordering

Clustering of magnetic nanoparticles can dramatically change their collective magnetic properties, and it consequently may influence their performance in biomedical and technological applications. Owing to tailored surface modification of magnetic particles such composites represent stable systems. Here, we report ferronematic mixtures that contain anisotropic clusters of mesogen-hybridized cobalt ferrite nanoparticles dispersed in liquid crystal host studied by different experimental methods—magnetization measurements, small-angle X-ray scattering (SAXS), small-angle neutron scattering (SANS), and capacitance measurements. These measurements reveal non-monotonic dependencies of magnetization curves and the Fréedericksz transition on the magnetic nanoparticles concentration. This can be explained by the formation of clusters, whose structures were determined by SAXS measurements. Complementary to the magnetization measurements, SANS measurements of the samples were performed for different magnetic field strengths to obtain information on the orientation of the liquid crystal molecules. We demonstrated that such hybrid materials offer new avenues for tunable materials

Scanning X-ray nanodiffraction: from the experimental approach towards spatially resolved scattering simulations

An enhancement on the method of X-ray diffraction simulations for applications using nanofocused hard X-ray beams is presented. We combine finite element method, kinematical scattering calculations, and a spot profile of the X-ray beam to simulate the diffraction of definite parts of semiconductor nanostructures. The spot profile could be acquired experimentally by X-ray ptychography. Simulation results are discussed and compared with corresponding X-ray nanodiffraction experiments on single SiGe dots and dot molecules

A critical look at 50 years particle theory from the perspective of the crossing property

The crossing property is perhaps the most subtle aspect of the particle-field relation. Although it is not difficult to state its content in terms of certain analytic properties relating different matrixelements of the S-matrix or formfactors, its relation to the localization- and positive energy spectral principles requires a level of insight into the inner workings of QFT which goes beyond anything which can be found in typical textbooks on QFT. This paper presents a recent account based on new ideas derived from "modular localization" including a mathematic appendix on this subject. Its main novel achievement is the proof of the crossing property of formfactors from a two-algebra generalization of the KMS condition. The main content of this article is the presentation of the derailments of particle theory during more than 4 decades: the S-matrix bootstrap, the dual model and its string theoretic extension. Rather than being related to crossing, string theory is the (only known) realization of a dynamic infinite component one-particle wave function space and its associated infinite component field. Here "dynamic" means that, unlike a mere collection of infinitely many irreducible unitary Poincar\'e group representation or free fields, the formalism contains also operators which communicate between the different irreducible Poincar\'e represenations (the levels of the "infinite tower") and set the mass/spin spectrum. Wheras in pre-string times there were unsuccessful attempts to achieve this in analogy to the O(4,2) hydrogen spectrum by the use of higher noncompact groups, the superstring in d=9+1, which uses instead (bosonic/fermionic) oscillators obtained from multicomponent chiral currents is the only known unitary positive energy solution of the dynamical infinite component pointlike localized field project.Comment: 66 pages, addition of new results, addition of references, will appear in this form in Foundations of Physic

PLANNING OF HUMAN RESOURCE COMPETENCY DEVELOPMENT IN PT.XYZ WITH TAGUCHI METHOD

The problem of human resources is still a concern within the company to remain competitive in this globalization world. This shows that the problem of human resources greatly affect the implementation and success of the company in achieving goals and objectives. The company demand to obtain the development process and get quality human resources more urgent. And the development of human resource competence is necessary. This study uses experimental testing with several parameters of validity and reliability testing. For testing analysis using Taguchi Method. Based on the Response Table for Signal to Noise Ratios Nominal is best obtained taguchi test results obtained values obtained from the effect plot for means with the approach of table of means, then the intellectual competence is needed for the improvement of HR performance

Hydration in aqueous NaCl

Atomistic details about the hydration of ions in aqueous solutions are still debated due to the disordered and statistical nature of the hydration process. However, many processes from biology, physical chemistry to materials sciences rely on the complex interplay between solute and solvent. Oxygen K-edge X-ray excitation spectra provide a sensitive probe of the local atomic and electronic surrounding of the excited sites. We used ab initio molecular dynamics simulations together with extensive spectrum calculations to relate the features found in experimental oxygen K-edge spectra of a concentration series of aqueous NaCl with the induced structural changes upon solvation of the salt and distill the spectral fingerprints of the first hydration shells around the Na+- and Cl−-ions. By this combined experimental and theoretical approach, we find the strongest spectral changes to indeed result from the first hydration shells of both ions and relate the observed shift of spectral weight from the post- to the main-edge to the origin of the post-edge as a shape resonance. </p

On the Particle Definition in the presence of Black Holes

A canonical particle definition via the diagonalisation of the Hamiltonian for a quantum field theory in specific curved space-times is presented. Within the provided approach radial ingoing or outgoing Minkowski particles do not exist. An application of this formalism to the Rindler metric recovers the well-known Unruh effect. For the situation of a black hole the Hamiltonian splits up into two independent parts accounting for the interior and the exterior domain, respectively. It turns out that a reasonable particle definition may be accomplished for the outside region only. The Hamiltonian of the field inside the black hole is unbounded from above and below and hence possesses no ground state. The corresponding equation of motion displays a linear global instability. Possible consequences of this instability are discussed and its relations to the sonic analogues of black holes are addressed. PACS-numbers: 04.70.Dy, 04.62.+v, 10.10.Ef, 03.65.Db.Comment: 44 pages, LaTeX, no figures, accepted for publication in Phys. Rev.

The mass shell in the semi-relativistic Pauli-Fierz model

We consider the semi-relativistic Pauli-Fierz model for a single free electron interacting with the quantized radiation field. Employing a variant of Pizzo's iterative analytic perturbation theory we construct a sequence of ground state eigenprojections of infra-red cutoff, dressing transformed fiber Hamiltonians and prove its convergence, as the cutoff goes to zero. Its limit is the ground state eigenprojection of a certain Hamiltonian unitarily equivalent to a renormalized fiber Hamiltonian acting in a coherent state representation space. The ground state energy is an exactly two-fold degenerate eigenvalue of the renormalized Hamiltonian, while it is not an eigenvalue of the original fiber Hamiltonian unless the total momentum is zero. These results hold true, for total momenta inside a ball about zero of arbitrary radius p>0, provided that the coupling constant is sufficiently small depending on p and the ultra-violet cutoff. Along the way we prove twice continuous differentiability and strict convexity of the ground state energy as a function of the total momentum inside that ball.Comment: 44 page