Observation of the isotopes264108 and265108

The experiment having led to the discovery of first isotopes of element 108, as published previously in Short Notes to this Journal [1, 2] are described and discussed in a final paper. Two isotopes of element 108 were produced by complete fusion of²⁰⁷Pb and²⁰⁸Pb, respectively, with⁵⁸Fe. Both isotopes areα-emitters. For the isotope with mass 265 threeα-decay sequences were observed. Theα-decay energy is (10.36±0.03) MeV, the half-life (1.8 _?0.7 ^+2.2 ) ms. For the isotope with mass 264, which is the heaviest doubly even isotope known at present, the decay sequence of one atom was found. The measured half-life is (76 _?36 ⁺³⁶⁴ ) μs. Our experimental results point towards an enhanced stability of the heaviest elements against spontaneous fission, which was already observed for element 106.     

Cyclophosphazenes and Relatives as Anticancer Drugs

Abstract

Aziridinocyclophosphazenes N₃P₃Az₆ (code name MYKO 63), N₄P₄Az₈ (code name MYKO 83) and relatives constituted the first generation of anticancer drugs whose efficiency on several rodent neoplasms was made conspicuous in a quantitative manner from 1976 to 1978 both in our Laboratory and by EORTC Screening Pharmacology Groups¹. MYKO 63 appeared at that time as a promising drug for industrial development owing to its wide spectrum of activity and its very low mutagenicity². However, this hope failed as a consequence of a cumulative toxicity which occurs upon heavy polyinjections schedules. In other words, MYKO 63 exhibits an uncomfortable kinetics of action on the tumor - and, consequently, of excretion - presumably due (it was our assumption) to a too high chemical stability of the molecule.     

A comparison of time adaptive integration methods for small and large strain viscoelasticity

In quasistatic solid mechanics the initial boundary value problem has to be solved in the space and time domain. The spatial discretization is done using finite elements. For the temporal discretization three different classes of Runge-Kutta methods are compared. These methods are diagonally implicit Runge-Kutta schemes (DIRK), linear implicit Runge-Kutta methods (Rosenbrock type methods) and half-explicit Runge-Kutta schemes (HERK). It will be shown that the application of half-explicit or linear-implicit Runge-Kutta methods can enormously reduce the computational time in particular situations. (© 2011 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

New model potentials for sulfur-copper(I) and sulfur-mercury(II) interactions in proteins: from ab initio to molecular dynamics

We have developed new force field and parameters for copper(I) and mercury(II) to be used in molecular dynamics simulations of metalloproteins. Parameters have been derived from fitting of ab initio interaction potentials calculated at the MP2 level of theory, and results compared to experimental data when available. Nonbonded parameters for the metals have been calculated from ab initio interaction potentials with TIP3P water. Due to high charge transfer between Cu(I) or Hg(II) and their ligands, the model is restricted to a linear coordination of the metal bonded to two sulfur atoms. The experimentally observed asymmetric distribution of metal ligand bond lengths (r) is accounted for by the addition of an anharmonic (r3) term in the potential. Finally, the new parameters and potential, introduced into the CHARMM force field, are tested in short molecular dynamics simulations of two metal thiolates fragments in water. (Brooks BR et al. J Comput Chem 1983, 4, 1987.1).     

Choosing norms in adaptive FSI calculations

The thermal coupling of a fluid and a structure is of great significance for many industrial processes. As a model for cooling processes in heat treatment of steel we consider the coupling of the compressible Navier-Stokes equations along a surface with the heat equation. A partitioned approach is considered, where different codes for the sub-problems are employed. We use a finite volume method (FVM) for the fluid and a finite element method (FEM) for the heat equation. The semi-discrete coupled system is solved using stiffly stable SDIRK methods, where on each stage an FSI problem is solved. This has a black box character, since a stage calculation corresponds to a specific Backward-Euler integration step. For the resulting method it was shown by numerical experiments in [1] that second order convergence rate is obtained. This property is used for a simple time-step control, which saves considerable computational time and guarantees a specified maximum error of time integration. Here, we will consider different norms for measuring the error. (© 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Thermal expansivities ofn-hexane,n-hexanol and their mixtures over the temperature range from 303 K to 503 K at pressures up to 400 MPa

The isobaric thermal expansivities ofn-hexanol and of its binary mixtures withn-hexane have been measured in a pressure-controlled scanning calorimeter at 303 K, 353 K, 403 K, 453 K and 503 K under pressures up to 400 MPa. In both then-hexanol and its mixtures withn-hexane a regular crossing point of isotherms of thermal expansivities was observed. The value of pressure at which the crossing appeared increased with the increasing amount ofn-hexane.

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Zusammenfassung In einem druckkontrollierten Scanning-Kalorimeter wurden bei Drücken bis zu 400 MPa bei 303 K, 353 K, 403 K, 453 K und 503 K die isobare Wärmeausdehnung vonn-Hexanol und seiner binären Gemische mitn-Hexan gemessen. Sowohl bein-Hexanol als auch bei seinen Gemischen mitn-Hexan wurde ein regulärer Schnittpunkt der Isothermen der Wärmeausdehnung gefunden. Der Druck, bei dem der Schnittpunkt auftritt, steigt mit zunehmenden Gehalt ann-Hexanol.

     

Dérives de l'imidazo[2,1-b]thiazole. V. Transposition allylique observée au cours de la synthése d'(imino-2 alkyl-3 thiazolinyl-4) acetates d'ethyle et de (dihydro-5,6 imidazo[2,1-b]thiazolyl-3) acetates d'éthyle

Ethyl (6-phenyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl) acetate hydrobromide shows an allylic transposition in alkaline medium and gives ethyl (6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazol-3-ylidene)acetate. This compound possesses an exocyclic double bond which is stable upon acidification. The intermediate ethyl (2-imino-3-alkylthiazolin-4-yl)-acetates undergo an analogous transposition upon treatment with base, which is reversible upon acidification. These transpositions were observed in the pmr data. The steric constraint and π p π conjugation are discussed in this work.     

Preparation of analyte-sensitive polymeric supports for biochemical sensors

The preparation and use of multiple polymers attached to a surface plasmon resonance (SPR) sensor for optimization of signal enhancement and minimization of fouling during sensing of biological species has been achieved. These polymers are advantageous compared to the current practice of carboxymethylated-dextran (CM-dextran). The polymers offer a wide range of functionalities and different molecular weights. Using these polymers, the SPR sensors can be fabricated as fast or faster than the CM-dextran sensor. In this study, we investigated the use of nine polymers for SPR biosensors. Polysaccharides, including CM-dextran, CM-hyaluronic acid, hyaluronic acid, and alginic acid, were investigated. Humic acid, polylactic acid, polyacrylic acid, orthopyridyldisulfide-polyethyleneglycol-N-hydroxysuccinimide (OPSS-PEG-NHS) and a synthesized polymer; polymethacrylic-acid-co-vinyl-acetate (PMAVA), were also used. The polymers were chemically attached to a thiol monolayer on the SPR biosensor using carbodiimide chemistry. The polymers were functionalized for binding of anti-myoglobin (anti-MG). The sensor performance was measured using myoglobin (MG) at 25 ng ml⁻¹, a biologically relevant level for myocardial infarction detection. Most polymers offered similar performance to CM-dextran for MG detection in HEPES buffer saline pH 7.4 (HBS). In preliminary studies in bovine serum, each of the candidate polymers demonstrated better performance than CM-dextran.     

Properties of acetate kinase activity inClostridium thermocellum cell extracts

Acetate kinase (EC 2.7.2.1) is involved in the wasteful production of acetate during conversion of cellulose to ethanol byClostridium thermocellum. The properties of this enzyme activity inC. thermocellum cell extracts were determined. Optimum enzyme activity was at 60 degrees C and between pH 7.5 and 9.0. In the presence of air, acetate kinase was stable to temperatures up to 60 degrees C, retaining 90% activity after 2 h, and was inactivated rapidly at higher temperatures. The enzyme exhibited a wide range of stability to pH (5.0-9.0) when incubated at 50 degrees C for 2 h. As with other acetate kinases, a divalent cation, such as Mg(2+), was required for enzyme activity. Optimum activity was observed at 20mM MgCl(2) when ATP was held constant at 10 mM. Acetate kinase activity was adversely affected by KCl, a salt commonly used in ion-exchange or affinity chromatography, with 0.3M KCl inhibiting by 50%. These results will be important in optimizing the direct microbial conversion process of cellulose to ethanol usingC. thermocellum in coculture withClostridium thermosaccharolyticum.