Structures, minimum

CAMD modeling has been used in this study to compare and partially to differentiate several postulated bituminous coal models based on their physical structures, minimum energies, and other characteristics. It is clear from the folding of the CAMD structures after molecular dynamics (especially in Figures 3c and 4c) that simple two-dimensional representations cannot adequately represent the structure of coal. Inter-cluster bonding has a powerful influence on coal structure when three-dimensional models are employed. 

Entry Structure Minimum Concentration Response (pM) ECS0 (1 M)... 

The number of native contacts is an important and often used parameter in protein folding descriptions. A contact is made when the a-carbons of non-adjacent residues are within a 6 A distance. A native contact is a contact that also occurs in a reference configuration representing the native state. This reference configuration can be taken from, for instance, the Protein Database (PDB) or from simulations (e.g. the most likely structure, minimum free energy, etc). The number of native contacts can be evaluated for arbitrary configurations and measures the similarity between the configuration of interest... 

Three partial structures of milbemycin H and related natural milbemycins have been prepared, yielding new information about structure-activity relationslups for this new class of insecticides. Structure I was shown to be a simple toxicophore retaining the characteristic activity of the milbemycins. However, with the minimum structure, minimum activity is observed. 

The smoke point corresponds to the maximum possible flame height (without smoke formation) from a standardized lamp (NF M 07-028). The values commonly obtained are between 10 and 40 mm and the specifications for TRO fix a minimum threshold of 25 mm. The smoke point is directly linked to the chemical structure of the fuel it is high, therefore satisfactory, for the linear paraffins, lower for branched paraffins and much lower still for naphthenes and aromatics. 

Whatever the development of knowledge in the fields of chemical analysis and structure-property relationships, the characterization by determination of conventional properties of usage and other values related empirically to properties of usage will remain mandatory and unavoidable, as a minimum because it is required with regard to specifications. 

The surface work fiincdon is fonnally defined as the minimum energy needed m order to remove an electron from a solid. It is often described as being the difference in energy between the Fenni level and the vacuum level of a solid. The work ftmction is a sensitive measure of the surface electronic structure, and can be measured in a number of ways, as described in section B 1.26.4. Many processes, such as catalytic surface reactions or resonant charge transfer between ions and surfaces, are critically dependent on the work ftmction. 

An experimental teclmique that is usefiil for structure studies of biological macromolecules and other crystals with large unit cells uses neither the broad, white , spectrum characteristic of Lane methods nor a sharp, monocliromatic spectrum, but rather a spectral band with AX/X 20%. Because of its relation to the Lane method, this teclmique is called quasi-Laue. It was believed for many years diat the Lane method was not usefiil for structure studies because reflections of different orders would be superposed on the same point of a film or an image plate. It was realized recently, however, that, if there is a definite minimum wavelengdi in the spectral band, more than 80% of all reflections would contain only a single order. Quasi-Laue methods are now used with both neutrons and x-rays, particularly x-rays from synclirotron sources, which give an intense, white spectrum. 

Figure B3.6.3. Sketch of the coarse-grained description of a binary blend in contact with a wall, (a) Composition profile at the wall, (b) Effective interaction g(l) between the interface and the wall. The different potentials correspond to complete wettmg, a first-order wetting transition and the non-wet state (from above to below). In case of a second-order transition there is no double-well structure close to the transition, but g(l) exhibits a single minimum which moves to larger distances as the wetting transition temperature is approached from below, (c) Temperature dependence of the thickness / of the enriclnnent layer at the wall. The jump of the layer thickness indicates a first-order wetting transition. In the case of a conthuious transition the layer thickness would diverge continuously upon approaching from below.

C2.5.3.6 MINIMUM NUMBER OF RESIDUES FOR OBTAINING FOLDABLE PROTEIN STRUCTURES... 

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