Single chain force spectroscopy - Reading the sequence of HP protein models

We study the elastic properties of single A/B random copolymer chains, with a specific sequence and use them as theoretical model for so called HP proteins. HP proteins carry hydrophilic (P) and hydrophobic (H) monomers. We predict a rich structure in the force-extension relations which can be attributed to the information in the sequence. The variational method is used to probe local minima on the path of stretching and releasing for the chain molecules. At a given force, we find multiple configurations which are separated by energy barriers. A collapsed globular configuration consists of several domains which unravel cooperatively. Upon stretching, the unfolding path shows a stepwise pattern corresponding to the unfolding of each domain. While releasing, several cores can be created simultaneously in the middle of the chain, resulting in a different path of collapse. The long-range interactions and stiffness of the chain simplify the potential landscape given by the disorder in sequence. Received 5 March 2002 / Received in final form 16 May 2002 Published online 13 August 2002     

Controlling global stochasticity of Hamiltonian systems by nonlinear perturbation

A method of controlling global stochasticity in Hamiltonian systems by applying nonlinear perturbation is proposed. With the well-known standard map we demonstrate that this control method can convert global stochasticity into regular motion in a wide chaotic region for arbitrary initial condition, in which the control signal remains very weak after a few kicks. The system in which chaos has been controlled approximates to the original Hamiltonian system, and this approach appears robust against small external noise. The mechanism underlying this high control efficiency is intuitively explained. Received 15 January 2002 Published online 6 June 2002     

Tunneling and EPR linewidths due to dislocations in Mn acetate

We compute the width and shape of the EPR and tunneling resonances due to dislocations in Mn₁₂ acetate crystals. Uncorrelated dislocations produce the Gaussian shape of resonances while dislocations bound in pairs produce the Lorentzian shape. We stress that the uniaxial spin Hamiltonian together with crystal defects can explain the totality of experimental data on Mn₁₂. Received 2 August 2001 / Received in final form 15 March 2002 Published online 17 September 2002     

A new three-flavor oscillation solution of the solar neutrino deficit in <Emphasis Type="Italic">R</Emphasis>-parity violating supersymmetry

We present a solution of the solar neutrino deficit using three flavors of neutrinos and R-parity non-conserving supersymmetry. In this model, in vacuum, the is massless and unmixed, mass and mixing being restricted to the - sector only, which we choose in consistency with the requirements of the atmospheric neutrino anomaly. The flavor changing and flavor diagonal neutral currents present in the model and the three-flavor picture together produce an energy dependent resonance-induced - mixing in the sun. This mixing plays a key role in the new solution to the solar neutrino problem. The best fit to the solar neutrino rates and spectrum (1258-day SK and 241-day SNO data) requires a mass square difference of eV² in vacuum between the two lightest neutrinos. This solution cannot accommodate a significant day-night effect for solar neutrinos nor CP violation in terrestrial neutrino experiments. Received: 26 December 2001 / Revised version: 16 February 2002 / Published online: 26 July 2002     

Wave propagation through a high-velocity elastic layer

We consider theoretical seismographs of a wave field passing through an elastic layer with high propagation velocity. We note the presence of a low-frequency part of the seismogram for longitudinal waves. It is shown that the propagation time of low-frequency vibrations is equal to that of longitudinal disturbances screened by the layer.Translated from Zapiski Nauchnykh Seminarov Leningradskogo Otdeleniya Matematicheskogo Instituta im. V. A. Steklova, AN SSSR, Vol. 173, pp. 134–141, 1988.     

Transformation of the excitation energy in excimers and exciplexes of aromatic hydrocarbons

Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 54, No. 1, pp. 26–32, January, 1991.     

Difference between canonical and grand canonical ensembles in discrete lattice gas models

We calculate the site occupation probabilities of one-dimensional lattice gas models within the canonical and grand canonical ensembles. The appearing differences do not vanish if we increase the system size keeping the site energies discrete. In this way one can explain the surprising numerical results of Barszczak and Kutner. This effect in the single-site occupation number disappears in higher dimensions.     

NMR protocol for on-line Brix determination

Water suppression by diffusive attenuation was used to measure Brix in intact cellular tissue of apple and strawberry. Given the signal-to-noise ratio, the correlation for apple was established without repeated acquisition, so this protocol should also be useful for rapid, on-line measurements at low spectrometer frequencies. Water suppression by theT ₁-Null method fails with cellular tissue because of the considerable variation in the longitudinal relaxation times of vacuolar and cytoplasmic water.     

Quantification problems in depth profiling of pwr steels using Ar+ ion sputtering and XPS analysis.

The oxide scales of AISI 304 formed in boric acid solutions at 300 degrees C and pH = 4.5 have been studied using X-ray photoelectron spectroscopy (XPS) depth profiling. The present focus is depth profile quantification both in depth and chemical composition on a molecular level. The roughness of the samples is studied by atomic force microscopy before and after sputtering, and the erosion rate is determined by measuring the crater depth with a surface profilometer and vertical scanning interferometry. The resulting roughness (20-30 nm), being an order of magnitude lower than the crater depth (0.2-0.5 microm), allows layer-by-layer profiling, although the ion-induced effects result in an uncertainty of the depth calibration of a factor of 2. The XPS spectrum deconvolution and data evaluation applying target factor analysis allows chemical speciation on a molecular level. The elemental distribution as a function of the sputtering time is obtained, and the formation of two layers is observed-one hydroxide (mainly iron-nickel based) on top and a second one deeper, mainly consisting of iron-chromium oxides.     

Reaction of tetrafluorosilane with tris(2-hydroxyethyl)amine, tris(2-trimethylsiloxyethyl)amine and bis(2-trimethylsiloxyethyl)amine and its N-methyl derivative. 1,1-difluoroquasisilatranes

Reaction of tetrafluorosilane with tris(2-hydroxyethyl)-and tris(2-trimethylsiloxyethyl)amine results in formation of 1-fluorosilatrane and fluorosilatrane in 75 and 53% yield, respectively. Reaction of tetrafluorosilane with bis(2-trimethylsiloxyethyl)amine and its N-methyl derivative leads to the hitherto unknown 1,1-difluoroquasisilatranes (N → Si) F₂Si(OCH₂CH₂)₂NR (R = H, Me) containing donor-acceptor bond N → Si and pentacoordinate silicon atom. The structure of the synthesized compounds was proved by ¹H, ¹³C, ¹⁵N, ¹⁹F, ²⁹Si NMR and IR spectroscopy.