Crystallization of Arthrobacter sp. strain 1C N-(1-D-carboxyethyl)-L-norvaline dehydrogenase and its complex with NAD+

The novel NAD+-linked opine dehydrogenase from a soil isolate Arthrobacter sp. strain 1C belongs to an enzyme superfamily whose members exhibit quite diverse substrate specificites. Crystals of this opine dehydrogenase, obtained in the presence or absence of co-factor and substrates, have been shown to diffract to beyond 1.8 ? resolution. X-ray precession photographs have established that the crystals belong to space group P21212, with cell parameters a = 104.9, b = 80.0, c = 45.5 ? and a single subunit in the asymmetric unit. The elucidation of the three-dimensional structure of this enzyme will provide a structural framework for this novel class of dehydrogenases to enable a comparison to be made with other enzyme families and also as the basis for mutagenesis experiments directed towards the production of natural and synthetic opine-type compounds containing two chiral centres.     

The use of magnesium perchlorate as desiccant in the syringe injection technique for determination of mercury by cold-vapour atomic absorption spectrometry

The method developed earlier was found to suffer a loss in sensitivity when the magnesium perchlorate desiccant became damp. The most sensitive and consistent results were obtained when the magnesium perchlorate was removed from the sample injection manifold. Under most circumstances a desiccant is not required.     

Polymers for catalytic cation radical chemistry

Cation radical polymers which have cation radical functions at up to 5% of the poly(styrene) monomer sites have been prepared, and their effectiveness in catalyzing the cation radical Diels-Alder reaction is demonstrated.     

The hydrophilic nature of gold and platinum

Clean gold and platinum surfaces have been shown to be hydrophilic in borate and sulphate media at all potentials between hydrogen and oxygen evolution. Finite contact angles were observed at the nitrogen/metal/solution interface immediately after polishing with diamond paste, but electrochemical evidence demonstrated that such surfaces were contaminated. After cleaning the surface chemically or electrochemically, zero contact angles were observed.     

A theoretical interpretation of isotope effects in mixtures of light and heavy water—II

Solvent isotope effects for H₂O---D₂O mixtures and for ionic hydration equilibria in such mixtures can be calculated from the structure difference between D₂O and H₂O and that between HDO and H₂O and the relative amounts of the three waters. The behavior of acids in H₂O---D₂O mixtures is considered in detail. Dissociation constants of acetic acid are calculated over the complete range of deuterium concentrations and found to agree with the experimentally determined ones. The Gross equation for the dependence of isotope effect on mole fraction of deuterium for acid-catalyzed reaction of substrates S proceeding via SL⁺ transition states (L=H or D) is derived from first principles.     

{\rtf1\ansi\ansicpg1250\deff0\deflang1038\deflangfe1038\deftab708{\fonttbl{\f0\froman\fprq2\fcharset238{\*\fname Times New Roman;}Times New Roman CE;}} \viewkind4\uc1\pard\f0\fs24 Status of software for PGNAA bulk analysis by the Monte Carlo - Library Least-Squares (MCLLS) approach \par }

Summary {\rtf1\ansi\ansicpg1250\deff0\deflang1038\deflangfe1038\deftab708{\fonttbl{\f0\froman\fprq2\fcharset238{\*\fname Times New Roman;}Times New Roman CE;}} \viewkind4\uc1\pard\f0\fs24 The Center for Engineering Applications of Radioisotopes (CEAR) has been working for about ten years on the Monte Carlo - Library Least-Squares (MCLLS) approach for treating the nonlinear inverse analysis problem for PGNAA bulk analysis. This approach consists essentially of using Monte Carlo simulation to generate the libraries of all the elements to be analyzed plus any other required libraries. These libraries are then used in the linear Library Least-Squares (LLS) approach with unknown sample spectra to analyze for all elements in the sample. The other libraries include all sources of background which includes: (1) gamma-rays emitted by the neutron source, (2) prompt gamma-rays produced in the analyzer construction materials, (3) natural gamma-rays from K-40 and the uranium and thorium decay chains, and (4) prompt and decay gamma-rays produced in the NaI detector by neutron activation. A number of unforeseen problems have arisen in pursuing this approach including: (1) the neutron activation of the most common detector (NaI) used in bulk analysis PGNAA systems, (2) the nonlinearity of this detector, and (3) difficulties in obtaining detector response functions for this (and other) detectors. These problems have been addressed by CEAR recently and have either been solved or are almost solved at the present time. We have now finished the development of Monte Carlo simulation for all of the libraries except the prompt gamma-ray library from the activation of the NaI detector. We must first determine a treatment for the coincidence schemes for Na and particularly I to complete the Monte Carlo simulation of this last library. \par }     

An evaluation of voltammetric titration procedures for the determination of trace metal complexation in natural waters by use of computers simulation

The impact of random analytical errors on the determination of metal complexation parameters of natural waters by metal titration procedures based on cathodic stripping (CSV) or anodic stripping (ASV) voltammetry is investigated by means of computer simulation. The results indicate that random analytical errors are of overriding importance in establishing the range of ligand concentrations and conditional stability constants that can be accurately determined by these techniques. Simulations incorporating realistic estimates of random analytical error show that only stability constants lying within a relatively narrow range, typically three orders of magnitude, can be determined accurately by the ASV procedure. The CSV procedure suffers from the same limitations, but is potentially more flexible in that the available detection window can be moved (but not widened) by adjustments to the method. Both techniques are capable of accurately determining ligand concentrations provided that the corresponding stability constant, K′, is greater than a threshold value which corresponds to the lower end of the available detection window for the stability constant. Realistically attainable improvements in analytical precision did not greatly improve the performance of either technique. Two graphical treatments for the evaluation of metal complexation parameters from titration data are compared: the Scatchard and Van den Berg/Ruzic plots. Simulations indicate that at least for the single-ligand model of complexation, the Van den Berg/Ruzic method is superior. The importance of the simulation results with respect to determining metal complexation parameters in natural waters is discussed. This study illustrates the value of computer simulation when complex, time-consuming analytical techniques are applied and the need for rigorous analysis of errors in producing data of environmental relevance.     

Synthesis of mixed cyclotriveratrylenes

Cyclotriveratrylenes containing one benzene ring and two indole rings linked through N1 and C2 can be prepared by acid-catalysed reactions of formaldehyde and aryl aldehydes with 1,2-di-(1-indolylmethyl)benzene compounds.