Applications biological systems

James P. Lewis, Pablo Ordejon, and Otto F. Sankar, Electric-structure-based molecular-dynamics method for large biological systems Application to the 10 basepair poly(dG) poly(dC) DNA double helix. Physical Review B, 55, 6880-6887 (1997). 

Gerothanassis, I. R, Momenteau, M. (1987). NMR spectroscopy as a tool for studying synthetic oxygen carriers related to biological systems Application to a synthetic single-face hindered iron porphyrin-dioxygen complex in solution, J. Am. Chem. Soc., 109 6944. 

Many complex systems have been spread on liquid interfaces for a variety of reasons. We begin this chapter with a discussion of the behavior of synthetic polymers at the liquid-air interface. Most of these systems are linear macromolecules however, rigid-rod polymers and more complex structures are of interest for potential optoelectronic applications. Biological macromolecules are spread at the liquid-vapor interface to fabricate sensors and other biomedical devices. In addition, the study of proteins at the air-water interface yields important information on enzymatic recognition, and membrane protein behavior. We touch on other biological systems, namely, phospholipids and cholesterol monolayers. These systems are so widely and routinely studied these days that they were also mentioned in some detail in Chapter IV. The closely related matter of bilayers and vesicles is also briefly addressed. 

This interface is critically important in many applications, as well as in biological systems. For example, the movement of pollutants tln-ough the enviromnent involves a series of chemical reactions of aqueous groundwater solutions with mineral surfaces. Although the liquid-solid interface has been studied for many years, it is only recently that the tools have been developed for interrogating this interface at the atomic level. This interface is particularly complex, as the interactions of ions dissolved in solution with a surface are affected not only by the surface structure, but also by the solution chemistry and by the effects of the electrical double layer [31]. It has been found, for example, that some surface reconstructions present in UHV persist under solution, while others do not. 

Applications of nltrafast laser teclmiqnes for studies in solids, optoelectronics, condensed phase, and in biological systems. 

We have surveyed tire remarkable progress in tire field of ET reactions, and have examined some of tire key applications and successes of tire tlieory. Many of tire current frontiers of ET research he in biological systems and in molecular-scale electronic devices. 

Bala, P., Grochowsky, R, Lesyng, B., McCammon, J.A. Quantum-classical molecular dynamics. Models and applications. In Quantum mechanical simulation methods for studying biological systems, D. Bicout and M. Field, eds. Springer, Berlin (1996) 119-156. 

P. Bala, P. Grochowski, B. Lesyng, and J. A. McCammon Quantum-classical molecular dynamics. Models and applications. In Quantum Mechanical Simulation Methods for Studying Biological Systems (M. Fields, ed.). Les Houches, France (1995)... 

J. N. Israelachvih, Intermolecular and Suface Forces, With Applications to Colloidal and Biological Systems, Academic Press, Inc., San Diego, 1985. 

Mechanism of action of nanosized (0.005 - 0.02 p.m) powders of ferromagnetics on biological systems is based on effect of magnetic fields created by ferromagnetic microcrystal assemblies and on specific action of every metal added which determined the field of practical application. 

Equations (l)-(3) in combination are a potential energy function that is representative of those commonly used in biomolecular simulations. As discussed above, the fonn of this equation is adequate to treat the physical interactions that occur in biological systems. The accuracy of that treatment, however, is dictated by the parameters used in the potential energy function, and it is the combination of the potential energy function and the parameters that comprises a force field. In the remainder of this chapter we describe various aspects of force fields including their derivation (i.e., optimization of the parameters), those widely available, and their applicability. 

One of the major uses of molecular simulation is to provide useful theoretical interpretation of experimental data. Before the advent of simulation this had to be done by directly comparing experiment with analytical (mathematical) models. The analytical approach has the advantage of simplicity, in that the models are derived from first principles with only a few, if any, adjustable parameters. However, the chemical complexity of biological systems often precludes the direct application of meaningful analytical models or leads to the situation where more than one model can be invoked to explain the same experimental data. 

End-of-pipe treatment refers to the application of chemical, biological, and physical processes to reduce the toxicity or volume of downstream waste. Treatment options include biological systems, chemical precipitation, flocculation, coagulation, and incineration as well as boilers and industrial furnaces (BIFs). 

This model was first introduced by Kauffman [kauff69] in a study of cellular differentiation in a biological system (binary sites were interpreted as elements of an ensemble of genes switching on and off according to some set of random rules). Since its original conception, however, related models have found wide application in an... 

The similarity recognition hypothesis presented here would be applicable to the specific and precise discrimination in chemical and biological systems. It is hoped that this review will serve to stimulate further work on the physicochemical origin of the shape-similarity effect on specific molecular recognition, for example, work on weak interactions specific for the three-dimensional shape of interacting groups. 

The presence of polymer, solvent, and ionic components in conducting polymers reminds one of the composition of the materials chosen by nature to produce muscles, neurons, and skin in living creatures. We will describe here some devices ready for commercial applications, such as artificial muscles, smart windows, or smart membranes other industrial products such as polymeric batteries or smart mirrors and processes and devices under development, such as biocompatible nervous system interfaces, smart membranes, and electron-ion transducers, all of them based on the electrochemical behavior of electrodes that are three dimensional at the molecular level. During the discussion we will emphasize the analogies between these electrochemical systems and analogous biological systems. Our aim is to introduce an electrochemistry for conducting polymers, and by extension, for any electrodic process where the structure of the electrode is taken into account. 

This chapter introduces the first law of thermodynamics and its applications in three main parts. The first part introduces the basic concepts of thermodynamics and the experimental basis of the first law. The second part introduces enthalpy as a measure of the energy transferred as heat during physical changes at constant pressure. The third part shows how the concept of enthalpy is applied to a variety of chemical changes, an important aspect of bioenergetics, the use of energy in biological systems. 

Radical chemistry has undergone something of a renaissance in recent years. The phenomenon of CIDNP has played an important part in this. The growing interest in the role of radical processes in biological systems may stimulate the application of CIDNP in even wider fields in the future. The development of a practical device for radiofrequency amplification by the stimulated emission of radiation (RASER) may well be one such application. 

The rapid rise in the industrial (catalyst in PVC and foam production), agricultural (fungicides and acaricides), and biological applications (wood, stone, and glass preservatives) of organotin(IV) compounds during the last few decades has led to their accumulation in the environment and, consequently, in biological systems. 

Vitamin is one of the most extraordinary and effective catalysts working in biological systems The application of natural as well as its cyanocobalamine... 

The field of modified electrodes spans a wide area of novel and promising research. The work dted in this article covers fundamental experimental aspects of electrochemistry such as the rate of electron transfer reactions and charge propagation within threedimensional arrays of redox centers and the distances over which electrons can be transferred in outer sphere redox reactions. Questions of polymer chemistry such as the study of permeability of membranes and the diffusion of ions and neutrals in solvent swollen polymers are accessible by new experimental techniques. There is hope of new solutions of macroscopic as well as microscopic electrochemical phenomena the selective and kinetically facile production of substances at square meters of modified electrodes and the detection of trace levels of substances in wastes or in biological material. Technical applications of electronic devices based on molecular chemistry, even those that mimic biological systems of impulse transmission appear feasible and the construction of organic polymer batteries and color displays is close to industrial use. 

Bertini I, Luchinat C, Scozzafava A (1982) Carbonic Anhydrase An Insight into the Zinc Binding Site and into the Active Cavity Through Metal Substitution. 48 45-91 Bertrand P (1991) Application of Electron Transfer Theories to Biological Systems. 75 1-48 Bill E, see Trautwein AX (1991) 78 1-96 Bino A, see Ardon M (1987) 65 1-28 Blanchard M, see Linares C (1977) 33 179-207 Blasse G, see Powell RC (1980) 42 43-96... 

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