219 research outputs found

    Stopped-flow fluorescence traces for interactions of hOGG1 with G-ligand.

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    <p>Changes in aPu fluorescence intensity during interaction of hOGG1 with G-ligand at different concentrations of enzyme at 25°C (A) and at different temperatures (B). Solid lines represent the fitted curves. The concentrations of hOGG1 and G-ligand were 2.0 µM and 1.0 µM, respectively. (C) Van’t Hoff analysis of the temperature dependence of <i>K</i>i for G-ligand.</p

    Interaction of Nei with DHU/G-substrate.

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    <p>(A) Changes in Trp fluorescence intensity during the interaction of Nei with DHU/G-substrate. Jagged traces display the experimental data whereas smooth curves correspond to the fit of the data to the kinetic model (<a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0100007#pone-0100007-g003" target="_blank">Fig. 3</a>). Concentrations of the DNA (µM) are shown next to the plots. (B) Time-course of appearance and disappearance of transient enzyme–substrate complexes during the cleavage of DHU/G by Nei. Modeling was done for 2 µM Nei and 2 µM substrate with the rate constants listed in <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0100007#pone-0100007-t002" target="_blank">Table 2</a>. Accumulation of the reaction products detected by PAGE analysis (P<sup>PAAG</sup>) is shown for comparison.</p

    Cybernation of the feeling and intuition functions for the intelligent control system

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    Now researches for creating an intelligent control system сonventionally refer to “neurocybernetics” or “black box cybernetics”. The first approach has not received a meaningful progress, because modeling of elements and structures of a brain has shown insufficiency of the modern knowledge of an alive brain.Black box cybernetics means that for the reception of the intelligent system it is correct enough to reproduce observable results of the intellectual processes, besides, it makes no difference how these results are obtained. Insufficient speed of the existing computers is the difficulty, associated with the second approach. However, a huge variety of the intellectual activity displays forces to recognize, that the black box cybernetics is also doomed to fail, since all the features of intelligence cannot be taken into account.In the present research, aiming at the principles’ development for functioning of the intelligent control system of a new generation, the following approach is applied: intelligent system behavior is correctly displayed by any psychological theory of the person, therefore, “cybernation” of some enough economical of them can have the universal intelligent system as the result. Analytical psychology by Karl Jung is chosen as the prototype theory.From the four mental functions, offered by Karl Jung, in this case feeling and intuition are chosen, besides, that functions of thinking and sensation are left without in-depth analysis and are only superficially described. It is connected with the restrictions of the number of publications, and consideration of the given functions requires the significant amount.The feeling function under the given descriptions by Karl Jung, develops the attitude of «egoism» of the system to subject – a thing, situations, to process, etc. However, as no attitude is valid action, the developed attitude for the observer is “the indicator” of the given function of the system, found in the knowledge base of “the natural operation” (or their sets), which can be applied to subject matter to get the features (positive or negative), acceptable in the current intellectual process.The basic purpose of the intuition function due to the descriptions of Karl Jung, is “revealing of the possibilities, put in the subject matter”. As no “revealing of possibilities” specifically pursues the achievement of particular goals (settling of the problem situations in the intelligent system), then by the intuition action the system adapts to possible development of events, external for the system, or to adequate changes of its own condition.By the joint action of the feeling and intuition the intelligent system has an opportunity to extend functioning in problem situations, i.e. at uncertainty – impossibility of use of rational thinking, as well as at “heavy” destructions of structure of the knowledge base of the system, having similar consequences

    Thermodynamics parameters of hOGG1 interactions with G-ligand<sup>a</sup>.

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    a<p>The errors indicated are ±1 SD. The errors for the Gibbs Energies, δ(Δ<i>G</i>°<sub>i298</sub>) = RT(Δ<i>K</i>i/<i>K</i>i) ≤0.1 kcal/mol.</p

    Predictions of helical twisting powers and molecular chirality

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    When chiral molecules are added to an achiral nematic liquid crystalline solvent, they can transmit their molecular chirality to the whole system over distances many times their molecular length. The helical twisting power, βm, is a measure of the degree of twist a chiral molecule can induce in a nematic liquid crystal. The work in this thesis is primarily concerned with calculating helical twisting powers for a variety of chiral molecules using computational and theoretical methods. The first technique used to calculate βm employed Monte Carlo simulations of an atomistic chiral dopant molecule in a chiral liquid crystal phase composed of generic liquid crystalline molecules. The method was found to be computationally expensive, but provided reasonable predictions of when compared with experimental results. Prior to these calculations, a liquid crystal solvent for use in this method was studied. Computer simulations of L/D = 4 soft repulsive spherocylinder (SRS) molecules were performed and two liquid crystalline phases were found in the SRS phase diagram. The scaled chiral index and the chirality order parameter are quantitative measures of molecular chirality. Both of these methods have been found to show a good correlation with experimentally determined helical twisting powers of relatively rigidchiral molecules. The chiral measures have also been incorporated in Monte Carlo simulations of flexible chiral molecules. This method has been successful in predicting βm for flexible chiral dopants, in predicting the temperature dependence of βm, has demonstrated a temperature induced helical twist inversion, and has been used in a predictive study to aid in future synthetic strategies. The final part of the thesis uses Monte Carlo simulations of a chiral molecule in an achiral liquid crystal phase. These simulations have shown that it is possible to relate the torque the chiral molecule induces in the solvent to βm
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