Gold

Ohne Zusammenfassung     

Vibronic spectral behavior of molecules: XVIII. Theoretical contribution to the S1→S0 fluorescence of the isomeric phenyl naphthalenes within the Herzberg-Teller approach

Theoretical vibronic S₁S₀ line spectra of the isomeric phenyl naphthalenes calculated within the Condon as well as the Herzberg-Teller approaches on the basis of completely optimizedS ₀ andS ₁ molecular geometries, are presented and are contrasted with the experimental fluorescence spectra. The theory-experiment comparison is successful only within the Herzberg-Teller approximation by explicitly including the Dushinsky transformation. An analysis of the significant vibrational modes is given.     

Verfolgung von Phasenreaktionen in Flüssigkeiten

For a great number of processes of technical importance (separation precipitating, adsorption and chemical conversion) an indication of progress of reaction without any temporal delay and gap is required with regard to process optimation. Beside and in addition to thermal analyses and optical methods electrical methods can be used, which depend on measuring of those electric properties, which are connected with each change of phases of the material under test. By use of potentials of medium or high frequency the cell of reaction is free of test probes. This is especially favourable for investigations of such mixtures of phases, in which the surfaces of electrodes would be changed irreversible by sedimentation or separation of phase. In this way the following reactions were studied: precipitation processes in supersaturated aqueous solutions, solution of crystals of potassium chloride, adsorption of alkali solution by ground quartz, sedimentation of mineral substances, separation processes of the system phenol-water and transformation of high polymers.     

Preparation and partial characterization of a soluble site-to-site directed enzyme complex composed of alcohol dehydrogenase and lactate dehydrogenase

A soluble, bifunctional enzyme complex has been prepared by crosslinking lactate dehydrogenase and alcohol dehydrogenase with glutaraldehyde. The crosslinking was performed on a solid phase while the active sites of alcohol dehydrogenase and lactate dehydrogenase were held adjacent to one another with the aid of a bis-NAD analog. Subsequently, the enzyme complex was released from the solid phase. The soluble enzyme complex was then purified by using NAD-Sepharose as an affinity adsorbent. Based on gel filtration experiments, the complex was estimated to consist of one of each dehydrogenase. By using a third enzyme, lipoamide dehydrogenase, which competes with lactate dehydrogenase for NADH produced by alcohol dehydrogenase, the effect of site-to-site orientation was studied. It was found that about 83% of the NADH produced by alcohol dehydrogenase was oxidized by site-to-site oriented lactate dehydrogenase compared to a figure of only about 61% obtained in an identical system of separate enzymes. This indicates that given two alternative routes, the preference for the one to lactate dehydrogenase over the one to lipoamide dehydrogenase is enhanced when lactate dehydrogenase and alcohol dehydrogenase are site-to-site oriented.     

Correlation energy extrapolation by intrinsic scaling. III. Compact wave functions

The information gained in the context of extrapolating the correlation energy by intrinsic scaling is used to shorten the full configurational expansions of electronic wave function without compromising their chemical accuracy. The truncations are accomplished by judiciously limiting the participation of the ranges of predetermined approximate sets of natural orbitals in the various excitation categories.