Dynamics of kinks in biological membranes

kinks created in a biological membrane by the interaction with a movable bead. We arrive at the evolution equations for both the bead and the membrane, whence we conclude that the force exerted on the bead by a fixed membrane points in the direction along which the curvature of the membrane is more concentrated. This is the first step towards understanding the basic mechanism behind the dynamics of protein aggregation which takes place on biological membranes. Received November 6, 2001 / Published online February 4, 2002     

Equatorial Plane Circular Orbits in the Taub-NUT Spacetime

Accelerated circular orbits in the equatorial plane of the Taub-NUT spacetime are analyzed to investigate the effects of its gravitomagnetic monopole source. The effect of a small gravitomagnetic monopole on these orbits is compared to the corresponding orbits pushed slightly off the equatorial plane in the absence of the monopole.     

Computational <Superscript>19</Superscript>F NMR. 1. General features

Fluorine-19 NMR chemical shifts have been calculated for a wide variety of fluorine-containing inorganic and organic molecules by relativistic DFT methods. The agreement with experimental values, spanning the whole range from ClF to FOOF, is satisfactory but somewhat less accurate than for comparable light nuclei. ¹⁹F shifts in uranium chlorofluorides have been analyzed in detail, and the poor agreement with experiment is partly rationalized.     

Profiling of grape monoterpene glycosides (aroma precursors) by ultra‐high performance‐liquid chromatography‐high resolution mass spectrometry (UHPLC/QTOF)

A ‘suspect screening analysis’ method for grape metabolomics by ultra‐high performance‐liquid chromatography (UHPLC) and high‐resolution quadrupole‐time of flight (QTOF) mass spectrometry was recently developed. This method was applied to study grape monoterpene glycosides, the main grape aroma precursors. Since standard compounds were not available, they were tentatively identified by overlapping various analytical approaches, in agreement with the indications recommended in mass spectrometry (MS)‐based metabolomics. Accurate mass and isotopic pattern, MS/MS fragmentation, correlation between fragments observed and putative structures and between liquid chromatography coupled with mass spectrometry (LC/MS) and gas chromatography/mass spectrometry signals were studied. Seventeen monoterpene glycosides were identified without performing the hydrolytic artifacts commonly used to study these compounds which may affect sample profile. This is the first time that a detailed study of these aroma precursors has been carried out by direct LC/MS analysis. Copyright © 2014 John Wiley & Sons, Ltd.     

Exclusively Heteronuclear NMR Experiments to Obtain Structural and Dynamic Information on Proteins

Provided that ¹³C‐detected NMR experiments are either preferable or complementary to ¹H detection, we report here tools to determine C^α? C′, C′? N, and C^α? H^α residual dipolar couplings on the basis of the CON experiment. The coupling constants determined on ubiquitin are consistent with the subset measured with the ¹H‐detected HNCO sequences. Since the utilization of residual dipolar couplings may depend on the mobility of the involved nuclei, we also provide tools to measure longitudinal and transverse relaxation rates of N and C′. This new set of experiments is a further development of a whole strategy based on ¹³C direct‐detection NMR spectroscopy for the study of biological macromolecules.     

A novel derivation of collision theory rate constants for a bimolecular reaction

A novel exact derivation for the kinetic constant of a bimolecular reaction according to three well-known models of collision theory is reported. The use of probability density functions, with the introduction of a novel geometry to study the collision process, allows simplifying the derivation to such an extent, that, for a proper statistical background, it is is possible to recover the line-of-centers and the angular dependent line-of-centers models in no more than a couple of lectures. Although the derivation is introduced to recover the temperature-dependent kinetic constant, it is shown that the energy-dependent reactive cross section can be recovered as well. A possible confusion in the interpretation of the pre-exponential factor is commented.     

Numerical transformation methods: a constructive approach

Within group invariance theory we consider a constructive approach in order to define numerical transformation methods. These are initial-value methods for the solution of boundary value problems governed by ordinary differential equations. Here we consider the class of free boundary value problems governed by the most general second-order equation in normal form. For this class of problems the main theorem is concerned with the definition of an iterative transformation method. The definition of a noniterative method, applicable to a subclass of the original class of problems, follows as a corollary. Therefore, the proposed constructive approach allows us to establish a unifying framework for noniterative and iterative transformation methods.     

Diverse population-bursting modes of adapting spiking neurons

We study the dynamics of a noisy network of spiking neurons with spike-frequency adaptation (SFA), using a mean-field approach, in terms of a two-dimensional Fokker-Planck equation for the membrane potential of the neurons and the calcium concentration gating SFA. The long time scales of SFA allow us to use an adiabatic approximation and to describe the network as an effective nonlinear two-dimensional system. The phase diagram is computed for varying levels of SFA and synaptic coupling. Two different population-bursting regimes emerge, depending on the level of SFA in networks with noisy emission rate, due to the finite number of neurons.