Spider silk thread as a fiber optic chemical sensor
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The document relates to a method for the determination of the binding properties of at least one first chemical compound to at least one second chemical compound between a free essentially dissociated state and a bound essentially associated state by using ...
Molecular interactions of odorants with their olfactory receptors (ORs) are of central importance for the mammalian olfactory system to detect and discriminate a large variety of odors with a limited set of receptors. How a particular OR binds and distingu ...
Within the Born-Oppenheimer picture of the electronic Schrödinger equation the external potential due to the nuclei influences the resulting expectation values during the self consistent field procedure. In this thesis, the optimization and the benefit of ...
Multi-objective optimisation (MOO) of super-structured process designs are expensive in CPU- time because of the high number of potential configurations and operation conditions to be calculated. Thus single process units are generally represented by simpl ...
We demonstrate that the key step for the reaction of CO2 with hydrogen on Ni(110) is a change of the activated molecule coordination to the metal surface. At 90 K, CO2 is negatively charged and chemically bonded via the carbon atom. When the temperature is ...
Particle shape and distribution of chemical compounds within individual particles are implied in the parameterizations used in air quality and climate models for radiative transfer, volatility, and mass transfer. In this study we employ Scanning Transmissi ...
Understanding the dynamics of developmental and cellular processes requires documentation of their changes with appropriate temporal and spatial resolution. Furthermore, simultaneous recording from a population of embryos under identical conditions allows ...
The range of applications of mathematical modelling in biosciences has recently expanded to encompass problems posed by biomedicine and sport sciences. Topics of interest are for instance the prediction of the response of an athlete to exercise, the pharma ...
The solvation model proposed by Fattebert and Gygi [J. Comput. Chem. 23, 662 (2002)] and Scherlis et al. [J. Chem. Phys. 124, 074103 (2006)] is reformulated, overcoming some of the numerical limitations encountered and extending its range of applicability. ...
Novel chemical compounds of the general formula KA, in which K is a 5- or 6- membered heterocyclic ring having 1-3 hetereo atoms, which can be independently N, S, or 0 with the proviso that at least one of the hetereo atoms must be a quaternized n ...