Structural information content

Heinz K, Starke U, Vanhove MA, Somoijai GA. 1992. The angular-dependence of diffuse LEED intensities and its structural information-content. Siuf Sci 261 57 -63. 

Other excited-state effects besides coordination changes are observed in the transient Raman spectra (10,11). Further analysis of the excited states and dynamics of Ni-porphyrin complexes and Ni-reconstituted heme proteins should benefit from Raman spectroscopy s inherently rich structural information content. Transient Raman methods are now being applied to other metalloporphyrins and metalloporphyrin-based systems. 

Ray, S.K., Basak, S.C, Raychaudhury, C, Roy, A.B. and Ghosh, J.J. (1982). A Quantitative Structure-Activity Relationship Study of N-Alkylnorketobemidones and Triazinones Using Structural Information Content. Arzneim.Forsch., 32,322-325. 

Dehmer, M. (2008a) A novel method for measuring the structural information content of networks. Cybernetics and Systems, in press. 

Dehmer, M. and Emmert-Streib, F. (2008) Structural information content of networks graph entropy based on local vertex fimctionals. Comp. Biol. Chem., 32, 131-138. 

Genotoxicity is a broader term and refers to processes which alter the structure, information content or segregation of DNA and are not necessarily associated with mutagenicity. Thus, tests for genotoxicity include tests which provide an indication of induced damage to DNA (but not direct evidence of mutation) via effects such as unscheduled DNA synthesis (UDS), sister chromatid exchange (SCE), DNA strand breaks, DNA adduct formation or mitotic recombination, as well as tests for mutagenicity. 

Mean information content or complexity of a graph based on the r (r = 0-6) order neighborhood of vertices in a hydrogen-filled graph Structural information content for r" (r = 0-6) order neighborhood of vertices in a hydrogen-filled graph... 

Once partitioning of the vertex set for a particular order of neighborhood is completed, ICr is calculated by equation (39). Basak, Roy, and Ghosh defined another information-theoretic measure, structural information content (SIC,), which is calculated as ... 

The Wiener index [86] can be expressed in terms of the distance matrix [87] and equals the half-sum of all distance matrix entries. Randi(5 [88] and Kier and Hall indices of order 0-3 [89] are calculated from coordination numbers of atoms or from values of atomic connectivity. The Kier shape index (order 1-3) [90] depends on the number of skeletal atoms, molecular branching, and the ratio of the atomic radius and the radius of the carbon atom in the sp hybridization state. The Kier flexibility index [90] is derived from the Kier shape index. The Balaban index depends on the row sums of the entries of the distance matrix and the cyclomatic number [92,93]. The information content index and its derivatives (order 0-2) are based on the Shannon information theory [95]. Modifications of the information content index are structural information content, complementary information content, and bond information content [96],... 

Theory of infrared emission is more complex and not as well established as that of conventional absorption spectroscopy. As the same vibrational modes are probed in emission and absorbance measurements, the structural information content is the same in both cases. For the majority of analyses, there is little or no advantage to be gained in recording the emission rather than the absorbance spectrum... 

NMR spectroscopy is routinely used in today s organic synthesis laboratories to identify and structurally characterize reaction products. Yet despite the enormous structural information content of NMR and the availability of a variety of high-pressure NMR techniques (3-13), it is little used for studying in situ chemical reactions and solvent effects on chemical reactions in supercritical media. 

The structural information content of any energy transducers is the same at the end of a process as it was at the beginning neglecting its wear out. The information kinetics created by the steam engine when it has produced an asymmetric distribution of high and low energy molecules of water in the two... 

In general, Raman scattering suffers from extremely small cross sections, however, the effect literally appears in a new light, when surface enhanced Raman scattering (SERS) takes place in the local optical fields of metal nanostructures. The effect combines high structural information content and selectivity with extremely high detection sensitivity down to the single molecule level and the potential to probe nanometer scaled volumes. The second section of the book includes chapters that demonstrate the application of SERS in the biomedical field. 

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