Accurate determination of elastic parameters for multicomponent membranes

Heterogeneities in the cell membrane due to coexisting lipid phases have been conjectured to play a major functional role in cell signaling and membrane trafficking. Thereby the material properties of multiphase systems, such as the line tension and the bending moduli, are crucially involved in the kinetics and the asymptotic behavior of phase separation. In this Letter we present a combined analytical and experimental approach to determine the properties of phase-separated vesicle systems. First we develop an analytical model for the vesicle shape of weakly budded biphasic vesicles. Subsequently experimental data on vesicle shape and membrane fluctuations are taken and compared to the model. The parameters obtained set limits for the size and stability of nanodomains in the plasma membrane of living cells.     

Accurate relations for the isotopically invariant spectroscopic parameters of diatomic molecules

Equations are obtained relating the isotopically invariant spectroscopic parameters U_mj, which must be considered as conditions in the least-squares method in spectral analysis. Expressions are given for the first seven Dankhem potential parameters in terms of U_m0 and U_m1. The contribution to the spectroscopic coefficients Y_mj due to violation of the Born-Oppenheimer approximation is calculated for¹²C¹⁶O.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 11, pp. 18–21, November, 1984.It remains to thank Yu. S. Makushkin, V. Ya. Galin, andV. F. Golovko for valuable discussions of the work.     

Diagonalization-free implementation of spin relaxation theory for large spin systems

The Liouville space spin relaxation theory equations are reformulated in such a way as to avoid the computationally expensive Hamiltonian diagonalization step, replacing it by numerical evaluation of the integrals in the generalized cumulant expansion. The resulting algorithm is particularly useful in the cases where the static part of the Hamiltonian is dominated by interactions other than Zeeman (e.g. in quadrupolar resonance, low-field EPR and Spin Chemistry). When used together with state space restriction tools, the algorithm reported is capable of computing full relaxation superoperators for NMR systems with more than 15 spins.     

Accurate non-relativistic density functional theory predictions for 77Se NMR shielding parameters

A reoptimized density functional theory (DFT) hybrid functional gives orbitals and energies which when substituted into the uncoupled generalized gradient approximation (GGA) sum-over-states expressions gives NMR shielding constants of high accuracy for first- and second-row nuclei. This procedure is validated further and its performance compared against well established exchange-correlation (XC) functionals for the prediction of the third-row ⁷⁷Se NMR shielding constants, in a series of challenging molecules where both accurate theoretical and experimental data are available. The shielding parameters obtained from this new mixed hybrid GGA scheme provide a significant improvement over conventional XC functionals. and are competitive with the benchmark coupled-cluster singles and doubles (CCSD) methods. From these results together with previous studies it is now apparent that this new GGA shielding scheme provides high accuracy NMR shielding constants for first-, second-and third-row atoms (excluding transition-metal atoms) even in molecules exhibiting large correlation effects.     

Time relaxation of the solutions of master equations for large systems

The time relaxation behavior of the solutions of certain classes of discrete master equations is studied in the limit of an infinite number of states. Depending on the range of the transition matrix, a relaxation behavior is found reaching from at ^–1/2 law for short range, over enhanced relaxation to an exponential relaxation for the extreme long-range case. The behavior in the limit of a continuous family of states is also discussed.     

Accurate modelling of pulse transformation by adjustable-in-time medium parameters

A possibility of a strong change of an electromagnetic signal by a short sequence of time cycles of pulses that modulate the medium parameters is shown. The backward wave is demonstrated to be an inevitable result of the medium time change. Dependence of the relation between backward and forward waves on the parameters of the medium modulation is investigated. The finite statistical complexity of the electromagnetic signal transformed by a finite sequence of modulating cycles is calculated. Increase of the complexity with the number of cycles is shown.     

Accurate measurement of lattice parameters of Ag-Au solid solutions

Using the ratio method in the variant effectiveD method the measurement of the lattice parameters of a solid solution of Ag-Au on samples of purity 99·999% was performed. The mean values of the parameters can be expressed by the functiony=4·086 17.x + 4·078 42. (1–x) –0·021 3₉.x(1–x) [Å] wherex is the atomic concentration of Ag. The mean displacement of the mean values of the parameters measured at single concentration is ±0·000 05 Å. A decrease of the lattice parameters of solid solutions to below the values of pure components was confirmed.The author thanks Assoc. Prof. M. Cernohorský CSc. for having introduced him to the problems of the precise measurement of lattice parameters and Mrs. V. Gregorová and L. Adamcová and Mr. M. Jelínek who took part in the experiments.     

Order parameters and dielectric relaxation in betaine proton glasses

Mixed crystals of betaine, phosphite and betaine phosphate have been investigated using broadband di-electric spectroscopy at frequencies 10⁻¹Hz≤ν≤10⁹Hz and temperatures 1.5 K≤T≤300 K for several betaine phosphate concentrationsx. For 0.2≤x≤0.65 an orientational glass state is found at low temperatures. The broad susceptibility spectra were analyzed using the concepts of distributions of relaxation times and of distributions of energy barriers. A critical comparison of the different approaches is given. In the mixed crystals that show antiferroelectric order at low temperatures, charge transport phenomena are studied. The static permittivity of the proton glass-forming crystals is analyzed, in terms of effectively one- and three-dimensional Ising models that incorporate random fields and random bonds.     

Order parameters and dielectric relaxation in betaine proton glasses

Mixed crystals of betaine, phosphite and betaine phosphate have been investigated using broadband di-electric spectroscopy at frequencies 10^?1Hz≤ν≤10⁹Hz and temperatures 1.5 K≤T≤300 K for several betaine phosphate concentrationsx. For 0.2≤x≤0.65 an orientational glass state is found at low temperatures. The broad susceptibility spectra were analyzed using the concepts of distributions of relaxation times and of distributions of energy barriers. A critical comparison of the different approaches is given. In the mixed crystals that show antiferroelectric order at low temperatures, charge transport phenomena are studied. The static permittivity of the proton glass-forming crystals is analyzed, in terms of effectively one- and three-dimensional Ising models that incorporate random fields and random bonds.     

A large volume flat coil probe for oriented membrane proteins

15N detection of mechanically aligned membrane proteins benefits from large sample volumes that compensate for the low sensitivity of the observe nuclei, dilute sample preparation, and for the poor filling factor arising from the presence of alignment plates. Use of larger multi-tuned solenoids, however, is limited by wavelength effects that lead to inhomogeneous RF fields across the sample, complicating cross-polarization experiments. We describe a 600 MHz 15N-1H solid-state NMR probe with large (580 mm3) RF solenoid for high-power, multi-pulse sequence experiments, such as polarization inversion spin exchange at the magic angle (PISEMA). In order to provide efficient detection for 15N, a 4-turn solenoidal sample coil is used that exceeds 0.27 lambda at the 600 MHz 1H resonance. A balanced tuning-matching circuit is employed to preserve RF homogeneity across the sample for adequate magnetization transfer from 1H to 15N. We describe a procedure for optimization of the shorted 1/4 lambda coaxial trap that allows for the sufficiently strong RF fields in both 1H and 15N channels to be achieved within the power limits of 300 W 1H and 1 kW 15N amplifiers. The 8 x 6 x 12 mm solenoid sustains simultaneous B1 irradiation of 100 kHz at 1H frequency and 51 kHz at 15N frequency for at least 5 ms with 265 and 700 W of input power in the respective channels. The probe functionality is demonstrated by 2D 15N-1H PISEMA spectroscopy for two applications at 600 MHz.     

Accurate monoenergetic electron parameters of laser wakefield in a bubble model

A reliable analytical expression for the potential of plasma waves with phase velocities near the speed of light is derived. The presented spheroid cavity model is more consistent than the previous spherical and ellipsoidal model and it explains the mono-energetic electron trajectory more accurately, especially at the relativistic region. As a result, the quasi-mono-energetic electrons output beam interacting with the laser plasma can be more appropriately described with this model.     

Accurate measurement of large optical frequency differences with a mode-locked laser

We have used the comb of optical frequencies emitted by a mode-locked laser as a ruler to measure differences of as much as 20 THz between laser frequencies. This is to our knowledge the largest gap measured with a frequency comb, with high potential for further improvements. To check the accuracy of this approach we show that the modes are distributed uniformly in frequency space within the experimental limit of 3.0 parts in 10(17) . By comparison with an optical frequency comb generator we have verified that the mode separation equals the pulse repetition rate within the experimental limit of 6.0 parts in 10(16).     

Spin-diffusion couples proton relaxation rates for proteins in exchange with a membrane interface

Changes in nuclear spin-lattice relaxation rates that are induced by a freely diffusing paramagnetic relaxation agent are examined for a protein in solution and compared to the case where the protein binds to a membrane. In the solution case, the intramolecular cross-relaxation rates are modest and large differences are observed in the oxygen induced protein–proton relaxation rates. In the case where a dynamic equilibrium between solution and membrane-bound environments is established, the intramolecular ¹H cross-relaxation rates for the protein protons increase dramatically because of the slow reorientational motion in the membrane-bound environment. As a consequence, all protein protons relax with nearly the same spin-lattice relaxation rate constants when bound to the membrane, and site specific relaxation effects of the diffusing paramagnet are suppressed. Slowly reorienting sites or rotationally immobilized sites sampled by observable molecules in vivo will demonstrate similar relaxation leveling effects.     

Estimation of the relaxation parameters of a cholesteric liquid by the parameters of acoustic streaming

The possibility of determining the relaxation time of cholesteric liquid crystals with a large helix pitch from the parameters of acoustic streaming is demonstrated experimentally.