Comments concerning the HPLC separation of acrolein from other C3 carbonyl compounds as 2,4-dinitrophenylhydrazones: A proposal for improvement

The separation of the toxicologically important aldehyde acrolein from other carbonyl compounds by high performance liquid chromatography after derivatization to 2,4-dinitrophenylhydrazones is critically discussed on the basis of a selection of published methods. A method is proposed whereby the compounds acrolein, acetone, and propanal may be reproducibly separated to baseline by a reversed phase HPLC procedure employing a ternary mixture of methanol, water, and acetonitrile as mobile phase.     

Determination of the spin-spin centrifugal distortion parameters for deuterated selenoformaldehyde in its first excited triplet state

Recently-formulated centrifugal distortion corrections to the spin-spin Hamiltonian have been used to analyse the first excited triplet state (ã³A₂) of deuterated selenoformaldehyde. By including six spin-spin centrifugal distortion parameters, it is possible to account for the energy levels of this state using a single set of three rotational constants, A, B, and C, where previously nine spin-dependent parameters were required.     

Generalized Physical and SRB Measures for Hyperbolic Diffeomorphisms

In this paper we introduce the notion of generalized physical and SRB measures. These measures naturally generalize classical physical and SRB measures to measures which are supported on invariant sets that are not necessarily attractors. We then perform a detailed case study of these measures for hyperbolic Hènon maps. For this class of systems we are able to develop a complete theory about the existence, uniqueness, finiteness, and properties of these natural measures. Moreover, we derive a classification for the existence of a measure of full dimension. We also consider general hyperbolic surface diffeomorphisms and discuss possible extensions of, as well as the differences to, the results for Hènon maps. Finally, we study the regular dependence of the dimension of the generalized physical/SRB measure on the diffeomorphism. For the proofs we apply various techniques from smooth ergodic theory including the thermodynamic formalism. 2000 Mathematics Subject Classification. Primary: 37C45, 37D20, 37D35, Secondary: 37A35, 37E30     

Optimized analysis of the critical behavior in polymer mixtures from Monte Carlo simulations

A complete outline is given for how to determine the critical properties of polymer mixtures with extrapolation methods similar to the Ferrenberg-Swendsen techniques recently devised for spin systems. By measuring not only averages but the whole distribution of the quantities of interest, it is possible to extrapolate the data obtained in only a few simulations nearT _c over the entire critical region, thereby saving at least 90% of the computer time normally needed to locate susceptibility peaks or cumulant intersections and still getting more precise results. A complete picture of the critical properties of polymer mixtures in the thermodynamic limit is then obtained with finite-size scaling functions. Since the amount of information extracted from a simulation in this way is drastically increased as compared to conventional methods, the investigation of mixtures with long chains or built-in asymmetries is now possible. As an example, the critical points, exponents, and amplitudes of dense, symmetric polymer mixtures with chain lengths ranging fromN=16 up toN=256 are determined within the framework of the 3D bond fluctuation model using grand canonical simulation techniques. As an example for an asymmetry, the generalization of the method to asymmetric monomer potentials is briefly discussed.     

Polarization inscription in ferroelectric (111) PZT and (100) SBT films

Ferroelectric thin films form an equilibrium domain structure compatible with their respective crystallographic symmetry. In tetragonal (111) PZT, 90° domains prevail; in (pseudo-tetragonal) (100) SBT both 90° and 180° domains are present. The size of 90° domains has been measured for e.g., PZT as slabs of 15 nm width. Domain size is a result of stress minimization in the film during the paraelectric (PE) → ferroelectric (FE) transition. A precise and regular domain pattern for (111) PZT and (100) SBT films has been investigated in detail by TMSFM. Single domains can be addressed mechanically with the tip of an AFM. Such single domain switching corresponds to a data storage density of 200 Gbit/inch². Applications of ferroelectric and high- paraelectric materials for e.g., non-volatile data storage replacing DRAM devices or as sensors in infrared cameras are increasingly becoming popular.