Synthesis of ω-amino- and ω-carboxyalkylamides of N-acetylmuramoyl-L-alanyl-D-isoglutamine

The synthesis has been effected of derivatives of MDP having a spacer with an amino or carboxy group. The final stage of the synthesis was the condensation of Boc-L-Ala-D-iGln with 6-aminohexanol (followed by the two-stage replacement of the hydroxy by an azido group) or with benzyl 6-aminohexanoate.Simferopol' State University. Translated from Khimiya Prirodnykh Soedinenii, No. 1, pp. 122–125, January–February, 1993.     

Synthesis of furaxanenitrolic acids

Previously unreported furoxanenitrolic acids have been synthesized.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 8, pp. 1117–1119, August, 1993.     

About non-linear realization of quantumSL q(2, R) group

Published in Teoreticheskaya i Matematicheskaya Fizika, Vol. 95, No. 2, pp. 183–186, May, 1993.     

Correlated polarization propagator calculations of static polarizabilities

We present a systematic comparison of the correlation contribution at the level of the second-order polarization propagator approximation (SOPPA ) and MP 2 to the static dipole polarizability of (1) Be, BeH^?, BH, CH⁺, MgH^?, AIH, SiH⁺, and GeH⁺; (2) BH₃, CH₄, NH₃, H₂O, HF, BF, and F₂; and (3) N₂, CO, CN^?, HCN, C₂H₂, and HCHO . Fairly extended basis sets were used in the calculations. We find that the agreement with experimental values is improved in SOPPA and MP .2 over the results at the SCF level. The signs and magnitudes of the correlation contribution in SOPPA are similar to those obtained in analytical derivative MP 2 calculations. However, it is not possible to say, in general, which method gives the largest correlation contribution or the best agreement with experiment, nor is it possible to make a priori prediction of the sign of the correlation contribution. For the first group of molecules, which have a quasi-degenerate ground state, additional CCDPPA and CCSDPPA calculations were performed and compared with polarizabilities obtained as analytical/numerical derivatives of the CCD and CCSD energies. The CCSDPPA results were found to be in better agreement with other calculations than were the SOPPA results, demonstrating the necessity of using methods based on infinite-order perturbation theory for these systems. © 1994 John Wiley & Sons, Inc.     

Vibrational control of crystal growth from liquid phase

Modeling and numerical simulations of the convective flows induced by the vibration of the monocrystal during crystal growth have been performed for two configurations simulating the Cz and FZ methods. This permitted to emphasize the role of different vibrational mechanisms in the formation of the average flows. It is shown that an appropriate combination of these mechanisms can be used to counteract the usual convective flows (buoyancy- and/or thermocapillary-driven) inherent to crystal growth processes from the liquid phase. While vibrational convection is rather complex due to these identified mechanisms, the new modeling used in the present paper opens up very promising perspectives to efficiently control heat and mass transfer during real industrial applications of crystal growth from the liquid phase.     

Crystal structures of two ancylite modifications

The crystal structures of two ancylite specimens from Khibiny massif (the Kola Peninsula, Russia)—ancylite-(Ce) from alkali hydrothermalites (Sr_1.01Ca_0.02Ba_0.01)_Σ1.04(Ce_0.52La_0.28Nd_0.11Pr_0.04 Sm_0.01)_Σ0.96(CO₃)₂(OH_0.83F_0.13)_Σ0.96 · 0.9H₂O and ancylite-(Ce) from carbonatites—have (Sr_0.80Ca_0.05Ba_0.01)_Σ0.86(Ce_0.62La_0.40Nd_0.09Pr_0.03) _Σ1.14(CO₃)₂(OH_0.99F_0.15)_Σ1.14 · 1.0H₂O been refined by the Rietveld method. A focusing STOE-STADIP diffractometer with a bent Ge(111) primary monochromator was used (λ MoK _{α 1} radiation, 2.16° < 2θ < 54.98°; reflection number 237–437). All the computations for ancylite from alkali hydrothermalites were performed within the sp. gr. Pmc2₁, a = 5.0634(1) Å, b = 8.5898(1) Å, c = 7.2781(1) Å, V = 316.55(1) ų, R _wp = 1.90; the computations for ancylite from carbonatites were performed within the sp. gr. Pmcn, a = 5.0577(1) Å, b = 8.5665(2) Å, c = 7.3151(2) Å, V = 316.94(1) ų, R _wp = 2.38 in the anisotropic approximation of thermal vibrations of cations and oxygen atoms.     

Pseudo-Strong Regularity Around a Set

A generalization of strong regularity around a vertex subset C of a graph Γ, which makes sense even if Γis non-regular, is studied. Such a structure appears, together with a kind of distance-regularity around C , when an spectral bound concerning the so-called predistance polynomial of C is attained. As a main consequence of these results, it is shown that a regular (connected) graph Γwith d + 1 distinct eigenvalues is distance-regular, and its distance- d graph Γ d is strongly regular with parameters a = c , if and only if the number of vertices at distance d from each vertex satisfies an expression which depends only on the order of Γand the different eigenvalues of Γ.     

Monte Carlo determinations of the beta dose rate to tooth enamel

The results of Monte Carlo simulations of the beta dose rate to enamel are presented. The dose rates are the most comprehensive to date, incorporating the beta spectrum from 21 different radionuclides, all internal conversion and Auger electrons, the majority of the bremsstrahlung radiation, effects due to radon loss in the uranium series, and variations in the moisture content of the sediment. Applications to a new dating technique in archaeology using electron spin resonance and beta-gradient isochrons are discussed.