1H and13C nuclear magnetic relaxation and local dynamics of lysozyme and synthetic polypeptides

The combined analysis of¹H and¹³C NMR relaxation data in solid lysozyme and some typical homopolypeptides was carried out by using “model-free” approach. Three types of relaxation transitions (γ’, γ and β) were revealed in the temperature range investigated. The microdynamical parameters of these motions were determined. From the comparison of these parameters with those of selected synthetic polymers it follows that the molecular motions in proteins and synthetic polymers are of the same nature. All these motions show pronounced anisotropic character. In the investigated temperature range no molecular motions corresponding to α-relaxation (liquid-like) transition were revealed. The hydration effects on parameters of the motions in proteins were considered. The most pronounced effect takes place for β-transition. The effect of Brownian rotation of protein molecule in solution on measured correlation function of local motions was also discussed.     

GLq(N)-covariant braided differential bialgebras

We study the possibility of defining the (braided) comultiplication for the GL _q (N)-covariant differential complexes on some quantum spaces. We discover suchdifferential bialgebras (and Hopf algebras) on the bosonic and fermionic quantum hyperplanes (with additive coproduct) and on the braided matrix algebra BM _q (N) with both multiplicative and additive coproducts. The latter case is related (forN = 2) to theq-Minkowski space andq-Poincaré algebra.     

Quasi-Symmetric Designs with Good Blocks

The article is concerned with a characterization of quasi-symmetric (QS) designs with intersection numbers 0 and y. It uses the idea of a good block. Such a block G has the property that for any block B with |G ∩ B| = y, every point is on a block containing G ∩ B. It is proved that if a QS design II with intersection numbers 0 and y has a good block, then II must (i) be affine, symmetric, a linear space or (ii) have one of two possible exceptional parameter sets. Only one example is known in case (ii). If all blocks of II are good and II is not a linear space, then it is a projective or affine geometry or it is an extension (in a more general sense than usual) of a projective plane of order y² or y³+ y. © 1995 John Wiley & Sons, Inc.     

Sparse-grid finite-volume multigrid for 3D-problems

We introduce a multigrid algorithm for the solution of a second order elliptic equation in three dimensions. For the approximation of the solution we use a partially ordered hierarchy of finite-volume discretisations. We show that there is a relation with semicoarsening and approximation by more-dimensional Haar wavelets. By taking a proper subset of all possible meshes in the hierarchy, a sparse grid finite-volume discretisation can be constructed.The multigrid algorithm consists of a simple damped point-Jacobi relaxation as the smoothing procedure, while the coarse grid correction is made by interpolation from several coarser grid levels.The combination of sparse grids and multigrid with semi-coarsening leads to a relatively small number of degrees of freedom,N, to obtain an accurate approximation, together with anO(N) method for the solution. The algorithm is symmetric with respect to the three coordinate directions and it is fit for combination with adaptive techniques.To analyse the convergence of the multigrid algorithm we develop the necessary Fourier analysis tools. All techniques, designed for 3D-problems, can also be applied for the 2D case, and — for simplicity — we apply the tools to study the convergence behaviour for the anisotropic Poisson equation for this 2D case.     

Lifetime study of high-spin states in 104,105In

In the neutron deficient isotopes _104,105In lifetimes of high spin states in the range from 0.5 ps to 600 ps have been measured in a coincidence recoil distance Doppler shift (RDDS) experiment. By combining the Doppler shift attenuation (DSA) and RDDS methods at few μm flight distances, the problem of delayed feeding has been avoided and very short lifetimes in the range 0.5–0.8 ps have been determined. Shell model calculations with strong restrictions for the neutron orbitals reveal good agreement with experimental level energies and still fair agreement for most measured B(M1) and B(E2) values. Received: 30 June 1998     

Excess enthalpies of some 2-alkanone + 1-chloroalkane binary mixtures at 25 and 35°C

Excess molar enthalpies h^E at 25 and 35° C and atmospheric pressure, are reported for the binary mixtures formed by a 2-butanone and 2-pentanone with 1-chlorobutane, 1-chloropentane, 1-chlorohexane, or 1-chlorooctane. The h^E values for all the mixtures are positive, increasing as the 1-chloroalkane length increases and as the ketone length decreases. Excess molar enthalpies depend slightly on the temperature. The experimental values together with those from the literature were used to calculate the interaction parameters for the Dang-Tassios version of the UNIFAC model.Communicated at the Festsymposium celebrating Dr. Henry V. Kehiaian's 60^th birthday, Clermont-Ferrand, France, 17–18 May 1990.     

Magnetism in electron-doped copper oxides

We report muon spin relaxation/rotation measurements on sintered powder samples of Nd_2−x Ce _x CuO_4−y and a large single crystal of Nd₂CuO_4−y . We find an electronic phase diagram which is quite similar to that of hole-doped superconductors such as La_2−x Sr _x CuO_4−y , although the doping of electrons into the system is less efficient in destroying the static moments on the copper spins. Static magnetic order in Nd₂CuO_4−y appears below about 250 K, and two spin reorientations are seen atT=75 K andT=35 K. Measurements of the magnetic field penetration depth have been unsuccessful due to the rare-earth paramagnetism of these materials.     

Preparation and physical characterization of forms II and III of paracetamol

The polymorphic forms II and III of paracetamol were obtained by melting the marketed form I. Under the melting and cooling conditions used, it was possible to obtain forms I, II and III. The recrystallization conditions and the physical properties of forms II and III were investigated by means of various techniques: thermomicroscopy, DSC analysis, infrared microspectrometry and X-ray powder diffraction at room temperature and as a function of temperature. Form III was found to be very unstable. However, its formation seems to be an important intermediate step in the preparation of form II.     

Incremental evolution of induced anisotropy

The aim of this article is to define a model that describes the evolution of the yield surface during plasticity. We propose a modelisation that is completely different from the classical approach as far as conception is concerned. It consists of describing the yield surface evolution with the help of velocity. The yield function is not directly known but is obtained by integrating a differential law starting from an initial surface. A very simple evolution law is used; the complexity of the induced anisotropy is obtained by incremental accumulation.