Studies of the kinetics of the reduction of chromate by glutathione and related thiols

The reduction of chromate by glutathione, its mono- and diethyl esters, -cysteine, 2-mercapto-propionic acid and mercapto-succinic acid has been studied. The empirical rate law k_obs = ab[Thiol]²/(1 + b[Thiol]) is obeyed by all of these thiols, at neutral pH. No evidence could be obtained for a first-order pathway in glutathione under these conditions. These observations are used to comment on the stability of intermediates potentially important in explaining chromate toxicity.     

Dynamic behavior classification of a model for a continuous bio-reactor subject to product inhibition

The dynamic behavior of the continuous biological reactor subject to product inhibition is analysed and classified in terms of multiplicity and stability of steady states and existence and stability character of limit cycles. Various boundary conditions are derived which delineate the parameter space into regions of dynamically different behavior. The predicted types of behavior are then illustrated by numerical computation of cells and product concentration trajectories.     

A cold fusion chronology

To assess the historical and sociological significance of the cold fusion saga, researchers need accurate information about the dates of various events associated with the saga. Based on materials in the Cornell Cold Fusion Archive, this article provides both a chronology and citations to documentary evidence for cold fusion events from 1926 to the end of 1990.     

Determination of trace elements in bottled water in Greece by instrumental and radiochemical neutron activation analyses

Summary Four different bottled water brands sold in Greece in the winter of 2001-2002 were analyzed for a wide range of chemical elements, using neutron activation analysis (NAA). The elements Na and Br were determined instrumentally (INAA), whereas the other metals and trace elements radiochemically (RNAA). The results indicated that the mean level of all the elements determined in the samples were well within the European Union (EU) directive on drinking water and accomplish the drinking water standards of the World Health Organisation (WHO) as well as of the Food and Drug Administration (FDA).     

Analytic Calculation of B 4 for Hard Spheres in Even Dimensions

We exactly calculate the fourth virial coefficient for hard spheres in even dimensions for D = 4, 6, 8, 10, and 12.     

Average and local magnetic moments on Fe atoms in microcrystalline and amorphous Fe100−xPx alloys

We have measured the concentration dependence of the average magnetic moment per Fe atom _Fe(x) in microcrystalline and amorphous Fe-P alloys obtained over a wide concentration range using electrochemical deposition. The model of local magnetic moments has been used to described _Fe(x). On the basis of this model the effects of phosphorus on the value _Fe are explained in terms of the parameters of the local environment of the Fe atom.     

A simple four-node quadrilateral finite element for plates

A simple and accurate four-node quadrilateral finite element based on the Mindlin plate theory and Kirchhoff constraints is presented for general thin plate bending applications. The derivation of the element stiffness properties is straightforward, starting with a specified eight-node interpolation; usual discrete Kirchhoff (DK) constraints are employed to constrain out the four midside nodes of the element. The present resulting DK element passes patch tests with elements of arbitrary and even highly distorted mesh types. Numerical studies of the element convergence behaviours are undertaken for various plate bending problems so far investigated. It is indicated from comparative examples that fairly good convergence characteristics have been achieved.     

Molecular modeling study on surface,thermal, mechanical and gas diffusion properties of chitosan

The motivation of this work is to provide reliable and accurate modeling studies of the physical (surface, thermal, mechanical and gas diffusion) properties of chitosan (CS) polymer. Our computational efforts have been devoted to make a comparison of the structural bulk properties of CS with similar type of polymers such as chitin and cellulose through cohesive energy density, solubility parameter, hydrogen bonding, and free volume distribution calculations. Atomistic modeling on CS polymer using molecular mechanics (MM) and molecular dynamics (MD) simulations has been carried out in three dimensionally periodic and effective two dimensionally periodic condensed phases. From the equilibrated structures, surface energies were computed. The equilibrium structure of the films shows an interior region of mass density close to the value in the bulk state. Various components of energetic interactions have been examined in detail to acquire a better insight into the interactions between bulk structure and the film surface. MD simulation (NPT ensemble) has also been used to obtain polymer specific volume as a function of temperature. It is demonstrated that these V–T curves can be used to locate the volumetric glass transition temperature (T_g) reliably. The mechanical properties of CS have been obtained using the strain deformation method. Diffusion coefficients of O₂, N₂, and CO₂ gas molecules at 300 K in CS have been estimated. The calculated properties of CS are comparable with the experimental values reported in the literature. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 1260–1270, 2007