Properties of isolated DNA bases, base pairs and nucleosides examined by laser spectroscopy

The vibronic spectra of laser desorbed and jet cooled guanine (G) adenine (A), and cytosine (C) consist of bands from four, two and two major tautomers respectively, as revealed by UV-UV and IR-UV double resonance spectroscopy. The vibronic spectrum of adenine around 277 nm consists of weak nπ^* and strong ππ^* transitions, based on IR-UV and deuteration experiments. Precise ionization potentials of G and A were determined with 2-color, 2-photon ionization. We also measured vibronic and IR spectra of several base pairs. GC exhibits a HNH ^... OH/NH ^... N/C=O ^... HNH bonding similar to the Watson-Crick GC base pair but with C as enol tautomer. One GG isomer exhibits non-symmetric hydrogen bonding with HNH ^... N/NH ^... N/C=O ^... HNH interactions. A second observed GG isomer has a symmetrical hydrogen bond arrangement with C=O ^... NH/NH ^... O=C bonding. Two CC isomers were observed with symmetrical C=O ^... NH/NH ^... O=C bonding and nonsymmetrical C=O ^... HNH/NH ^... N interaction, respectively. Guanosine (Gs), 2-DeoxyGs und 3-DeoxyGs each exhibit only one isomer in the investigated wavelength range around 290 nm with a strong intramolecular sugar(5-OH) ^... enolguanine(3-N) hydrogen bond. Received 16 June 2002 / Received in final form 15 July 2002 Published online 13 September 2002     

Studies on pre-hump and main fractions of cellulose-2,5-acetate in acetone

Technical cellulose-2.5-acetates (CA 2.5) were characterized regarding their carbohydrate composition in comparison to the raw material. The association of the CA 2.5 samples in acetone was studied by size exclusion chromatography (SEC) using various acetone grades and styrene divinylbenzene copolymer columns. In HPLC grade acetone with and without addition of 1% water up to three different pre-humps eluted in front of the main fraction of the polymer. The evaluation of the main peak by light scattering measurements resulted in high molar masses indicating that for these technical CA 2.5 samples even the main fraction is not dissolved without association. No pre-humps or association phenomena were observed after addition of 1 ppm LiBr to HPLC grade acetone or with p.a. grade acetone. In addition pre-hump enriched and pre-hump free fractions were isolated by fractionated precipitation. The carbohydrate composition of these fractions was determined and correlated with their association pattern in SEC investigations.     

On the Point-Particle (Newtonian) Limit¶of the Non-Linear Hartree Equation

We consider the nonlinear Hartree equation describing the dynamics of weakly interacting non-relativistic Bosons. We show that a nonlinear M?ller wave operator describing the scattering of a soliton and a wave can be defined. We also consider the dynamics of a soliton in a slowly varying background potential W(ɛx). We prove that the soliton decomposes into a soliton plus a scattering wave (radiation) up to times of order ɛ⁻¹. To leading order, the center of the soliton follows the trajectory of a classical particle in the potential W(ɛx). Received: 30 June 2000 / Accepted: 25 June 2001     

Phonon–replica transitions in InGaN/GaN quantum well structures

A side-bump feature in a photoluminescence (PL) spectrum of an InGaN compound was widely observed. With reasonable fitting to PL spectra with three Gaussian distributions, the temperature variations of the peak positions, integrated PL intensities, and peak widths of the main and first side peaks of three InGaN/GaN multiple quantum well samples with different nominal indium contents are shown and interpreted. The existence of the side peaks is attributed to phonon–replica transitions. The variations of the peak position separations and the decreasing trends of the first side peak widths beyond certain temperatures in those samples were explained with the requirement of phonon momentum condition for phonon–replica transitions. In the sample with 25% nominal indium content, the phonon–replica transition could become stronger than the direct transition of localized states.     

A posteriori error estimators for the Stokes equations

Summary We present two a posteriori error estimators for the mini-element discretization of the Stokes equations. One is based on a suitable evaluation of the residual of the finite element solution. The other one is based on the solution of suitable local Stokes problems involving the residual of the finite element solution. Both estimators are globally upper and locally lower bounds for the error of the finite element discretization. Numerical examples show their efficiency both in estimating the error and in controlling an automatic, self-adaptive mesh-refinement process. The methods presented here can easily be generalized to the Navier-Stokes equations and to other discretization schemes.This work was accomplished at the Universität Heidelberg with the support of the Deutsche Forschungsgemeinschaft     

SPM-induced spectral compression of picosecond pulses in a single-mode Yb-doped fiber amplifier

In a fiber amplifier, spectral compression due to self-phase modulation is demonstrated for ultrashort pulses. We report the generation of near-transform-limited picosecond pulses with peak powers of several kW at a repetition rate of 74 MHz and diffraction-limited beam quality in a Yb-doped fiber amplifier when seeding with a negative chirped pulse. Received: 17 September 2001 / Revised version: 22 November 2001 / Published online: 17 January 2002     

Fibre stability in anisotropic matrix at small strains

As acknowledged in almost all monographs on the fracture of composite materials, one of the major fracture mechanism in unidirectional fibrous composites under uniaxial compression along the reinforcing elements is the stability loss of the material structure (the structural instability). According to this mechanism, theoretical investigations of the fracture along the fibres are reduced to those of the stability loss in the material structure, and the value of external critical forces is accepted as the value of failure forces. At present, numerous theoretical investigations have been carried out in this field with the use of the three-dimensional linearized theory of stability in the framework of the piecewise-homogeneous body model. However, in all the investigations it is assumed that the matrix and the fibre material are isotropic. It is evident that in many cases it is necessary to take into account the anisotropy of the matrix material when investigating the stability loss of fibres. In view of the above, in the framework of the piecewise-homogeneous body model using the three-dimensional linearized theory of stability, the present paper considers the stability loss of the fibre in the anisotropic (transversally isotropic) matrix. The effect of the properties of the matrix material on the critical values of the external loading is examined.Submitted to the 10th International Conference of Mechanics of Composite Materials (Riga, April 20–23, 1998).Published in Mekhanika Kompozitnykh Materialov, Vol. 33, No. 5, pp. 603–611. September–October, 1997.     

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.