Mg spin affects adenosinetriphosphate activity

The Schlegel-Frisch ab initio molecular dynamics (ADMP) (DFT:B3LYP), T = 310 K, is used to study complexation between adenosinetriphosphate (ATP), ATP subsystem, and magnesium cofactor [Mg(H2O)6]2+, Mg subsystem, in a water pool, modeled with 78 water molecules, in singlet (S) and triplet (T) states. The computations prove that the way of ATP cleavage is governed by the electron spin of Mg. In the S state Mg prefers chelation of \gamma-\beta-phosphate oxygens (O1-O2), whereas in the T state it chelates \beta-\alpha-phosphate oxygens (O2-O3) or produces a single-bonded intermediate. Unlike the chelates, which initiate ionic reaction paths, the single-bonded intermediate starts off a free-radical path of ATP cleavage, yielding a highly reactive adenosinemonophosphate ion-radical, .AMP-, earlier observed in the CIDNP (Chemically Induced Dynamic Nuclear Polarization) experiment (A.A. Tulub, 2006). The free-radical path is highly sensitive to Mg nuclear spin, which through a hyperfine interaction favors the production of unpaired electron spins. The unique role of Mg in ATP cleavage comes through its ability to serve as a unique redox center, initially accepting an electron from ATP and then giving it back to products. Redox activity of Mg differs for T and S states and affects the number of coordinated water molecules. The findings give a new insight into the NTP (N = nucleoside) energetics and assembly of NTP-operating molecules, including proteins.Comment: 13 pages, 4 figure

The chromatographic identification of some biologically important phosphate esters

the objective of the present work was to provide a means for separating and indentifying phosphate esters involved in glycolysis in higher plants. Paper chromatography of phosphate esters has been employed by several workers, most notably Benson et al. (1) and Hanes and Isherwood (2). Benson's procedures were not primarily designed for identification of phosphate esters and gave low Rr values for the phosphate compounds of particular interest to us. The unidimensional methods of Hanes and Isherwood do not result in adequate resolution of the complex mixtures such as are obtained from our plant materials. The present procedure is based on two-dimensional chromatography with successive development in an acid and in a basic solvent. The solvents finally selected gave the best over-all resolution of the intermediates involved in plant glycolysis. Undoubtedly the resolution of certain pairs of compounds may be improved by suitable modifications. We have in addition made certain improvements in the procedure for locating the chromatographed materials

Use of the enzyme hexokinase for the reduction of inherent light levels

Use of enzyme hexokinase and glucose to reduce inherent light levels of ATP in luciferase composition

Soliton structures in a molecular chain model with saturation

In the present work, we study, by means of a one-dimensional lattice model, the collective excitations corresponding to intra molecular ones of a chain like proteins. It is shown that such excitations are described by the Nonlinear Schrodinger equation with saturation. The solutions obtained here are the bell solitons, bubbles, kinks and crowdons. Since they belong to different sectors on the parametric space, the bubble condensation could give place to some important changes of face in this kind of nonlinear system. Additionally, it is shown that the limiting velocity of the solitons is the velocity of sound waves corresponding to longitudinal vibrations of molecules.Comment: 12 pages, 4 figure

Protein sterilization method of firefly luciferase using reduced pressure and molecular sieves

The sterilization of the protein fruitfly luciferase under conditions that prevent denaturation is examined. Denaturation is prevented by heating the protein in contact with molecular seives and under a reduced pressure of the order of 0.00005 millimeters of mercury

Thin film models for active gels

In this study we present a free-boundary problem for an active liquid crystal based on the Beris-Edwards theory that uses a tensorial order parameter and includes active contributions to the stress tensor to analyse the rich defect structure observed in applications such as the Adenosinetriphosphate (ATP) driven motion of a thin film of an actin filament network. The small aspect ratio of the film geometry allows for an asymptotic approximation of the free-boundary problem in the limit of weak elasticity of the network and strong active terms. The new thin film model captures the defect dynamcs in the bulk as well as wall defects and thus presents a significant extension of previous models based on the Lesli-Erickson-Parodi theory. Analytic expression are derived that reveal the interplay of anchoring conditions, film thickness and active terms and their control of transitions of flow structure.Comment: 33 pages, 3 figure