Half-explicit Runge-Kutta methods for semi-explicit differential-algebraic equations of index 1

Summary For the numerical solution of non-stiff semi-explicit differentialalgebraic equations (DAEs) of index 1 half-explicit Runge-Kutta methods (HERK) are considered that combine an explicit Runge-Kutta method for the differential part with a simplified Newton method for the (approximate) solution of the algebraic part of the DAE. Two principles for the choice of the initial guesses and the number of Newton steps at each stage are given that allow to construct HERK of the same order as the underlying explicit Runge-Kutta method. Numerical tests illustrate the efficiency of these methods.     

Comparative kinetics of phospholipase A2 action on liposomes and monolayers of phosphatidylcholine spread at the air-water interface

A detailed kinetic model describing the surface transformation of spread liposomes along with their enzymatic hydrolysis was developed. The model was applied to the hydrolysis of the long-chain phosphatidylcholine generating reaction products which remain at the interface and to medium-chain substrates from which the products desorb rapidly into the bulk phase. The overall kinetic constants of the hydrolysis in liposomal systems were compared with those obtained with monolayers under barostatic conditions. The values of the interfacial Michaelis-Menten constant were estimated.     

Methods of constructing optimal stabilizers

The problem of transforming a linear dynamical system in the neighbourhood of a state of equilibrium [1,2] is solved using the special problem of the damping of the system by controls of minimum intensity after a finite time interval. The possibility of using other problems of optimal control is discussed. The main attention is devoted to constructing algorithms of the operation of a device (a stabilizer) which is able, in real time, to generate a stabilizing control circulating in the closed optimal system when unknown perturbations operate constantly [3, 4]. The proposed method is based on the constructive theory of optimal control [5, 6]. Another form of this theory for solving the problem of stabilization is presented in [7](see also [8]).     

Measurement of the spin and temperature dependence of ddµ molecule formation rate in solid and liquid deuterium

The ddµ molecule formation rate is experimentally measured for the two hyperfine states of the dµ-atom in the temperature range of 5–30 K. Results are consistent with a preliminary measurement by the TRIUMF group and contradict theoretical predictions. The work has been performed on the JINR phasotron (Dubna).     

Separation of actinides by means of HPLC

A procedure is described separating, identifying and determining the actinides (An) U, Np, Pu, Am and Cm in the presence of the lanthanides (Ln) La, Ce, Pr, Nd, Pm, Sm, Eu and Ho on an analytical scale. It is based on high-pressure liquid chromatography (HPLC) combined with a dual on-line detection system and is accomplished within a short time, in one step and under isocratic conditions (for An). The separation was carried out on a strongly acidic and highly capacitive cationic exchange resin on a polystyrene divinylbenzene copolymer (Aminex A9, co. BioRad) basis. Radionuclides emitting α- and β-particles are detected on-line using a custom-made solid scintillation flow-through cell. Inactive components are monitored by colour reagent complex detection (Arsenazo III, λ-648 nm) with a VIS detector placed in series.     

Investigation by EPR and ENDOR spectroscopy of the novel 4Fe ferredoxin fromPyrococcus furiosus

The hyperthermophilic archaeonPyrococcus furiosus contains a four-Fe ferredoxin (Pf- Fd) that differs from most other 4Fe-Fd’s in that its [Fe₄S₄] cluster is anchored to protein by only three cysteinyl residues.Pf- Fd also is of interest because in its reduced form, [Fe₄S₄]⁺, the cluster exhibits bothS = 1/2 andS = 3/2 spin states. Addition of excess cyanide ion converts the cluster exclusively to anS = 1/2 state (g₁ = 2.09, g₂ = 1.95, g₃ = 1.92), however dialysis restores the EPR signal of native reduced protein indicating that the cluster is not irreversibly altered by cyanide. Both the native protein and protein in the presence of excess cyanide ion (Pf- Fd 4Fe-CN) were investigated here using the techniques of electron paramagnetic resonance (EPR) and electron-nuclear double resonance (ENDOR) spectroscopy. In particular,Pf- Fd 4Fe-CN was investigated using¹³CN^? and C¹⁵N^? ligands.¹³C and¹⁵N ENDOR indicated that a single cyanide ion bound directly, with the cluster showing an unusually small contact interaction (a_iso(¹³C)～ ?3 MHz, a_iso(¹⁵N) ～ 0). This is in contrast to cyanide bound to monomeric low-spin Fe(III)-containing proteins such as transferrin and myoglobin, for which the¹³C hyperfine coupling has a large isotropic component (a_iso(¹³C) ≈ ?30 MHz). This small contact interaction is not due to low spin density of Fe, as⁵⁷Fe ENDOR of the singly and triply labeledPf- Fd 4FeCN isotopologs, [⁵⁷FeFe₃S₄]⁺ and [Fe⁵⁷Fe₃S₄]⁺, show hyperfine coupling characteristic for [Fe₄S₄]⁺ clusters, particularly for the Fe to which cyanide binds. Thus, the low spin density on¹³C is not due to low spin density on the Fe ion to which it binds. Further theoretical work is needed to explain the contrast between the strong electronic effect of cyanide ion binding with the low spin density on the ligand.     

Radiative characteristics of pulsed power driven Z-pinch aluminumplasmas

In this paper, we study the dynamics of a massive aluminum Z-pinch plasma load and evaluate its performance as a soft X-ray radiator. A radiation hydrodynamic model self-consistently driven by a circuit describes the dynamics. Comparisons are made for the K- and L-shell soft X-ray emission as a function of the ionization dynamic model. The ionization dynamic models are represented by: 1) a time-dependent nonequilibrium (NEQ) model, 2) a collisional radiative equilibrium (CRE) model, and 3) a local thermodynamic equilibrium (LTE) model. For all three scenarios the radiation is treated 1) in the free streaming optically thin approximation where the plasma is treated as a volume emitter and 2) in the optically thick regime where the opacity for the lines and continuum is self-consistently calculated online and the radiation is transported through the plasma. Each simulation is carried out independently to determine the sensitivity of the implosion dynamics to the ionization and radiation model, i.e., how the ionization dynamic model affects the radiative yield and emission spectra. Results are presented for the L- and K-shell radiation yields and emission spectra as a function of photon energy from 10 eV to 10 keV. Also, departure coefficients from LTE are presented for selected levels and ionization stages