A comprehensive protein resource for the study of bladder cancer: http://biobase.dk/cgi-bin/celis

In our laboratories we are exploring the possibility of using proteome expression profiles of fresh bladder tumors (transitional cell carcinomas, TCCs; squamous cell carcinomas, SCCs) and random biopsies as fingerprints to subclassify histopathological types and as a starting point to search for protein markers that may form the basis for diagnosis, prognosis, and treatment. Ultimately, the goal of these studies is to identify signaling pathways and components that are affected at various stages of bladder cancer progression and that may provide novel leads in drug discovery. Here we present our ongoing efforts to establish comprehensive two-dimensional polyacrylamide gel electrophoresis (2-D PAGE) databases of TCCs and SCCs which are being constructed based on the proteomic and immunohistochemical analysis of hundreds of fresh tumors, random biopsies and cystectomies received shortly after operation (http://biobase.dk/cgi-bin/celis).     

Identification of components in mixtures by a mathematical analysis of mass spectral data

Mathematical techniques for the identification of components in mixtures from the mass spectra of a series of related mixtures are described. The approach is analogous to library search methods in that spectra from a reference collection are compared with a multidimensional unknown. Searches are conducted with a library file containing approximately 17000 mass spectra. Results for the analyses of several mixtures are reported, to illustrate the effectiveness of the method.     

Intramolecular spin exchange in flexible short-chain biradicals in solutions with various viscosity

Intramolecular electron spin exchange as a function of temperature and solvent viscosity has been studied by X-band electron paramagnetic resonance (EPR) spectroscopy in two short-chain flexible nitroxide biradicals. Certain thermodynamic parameters of the conformational rearrangements were calculated from the EPR spectra. The process of spin exchange in these biradicals dissolved in six different alcohols is compared with that in a nonpolar solvent (toluene) and with the thermodynamic characteristics of the solvents. No correlation is found on a macroscopic level (solvent viscosity) but on a microscopic level (solvent longitudinal relaxation times) a distinct correlation is seen. The original results are compared with literature data.     

Stress distributions in diblock copolymers

We demonstrate how a generalized self-consistent field theory for polymer melts that includes elastic stress and strain fields can be applied to the study of AB diblock copolymers melts. By obtaining the stress distributions for volume conserving strain loadings where lamellar and hexagonal morphologies are stable, we show that the local stress is reduced at the domain interface but slightly enhanced in the immediate vicinity of the interface. The overall stress profile is the result of the combined effects of chain connectivity across the interface, which yields a positive contribution, and the immiscible nature of the monomers, which leads to a stress reduction because of interfacial tension.     

Infrared Spectra of Tris(ethylendiamine) Cobalt(III) Complex Ion in Solid State and Dissolved in Light and Heavy Water

In recent years, at least two groups^1,2 have developed programmes for combined conformational and vibrational analysis of complicated molecular systems. A version of one of these systems² is currently being adapted for work on coordination complexes. In such work experimental data are needed, and they stem almost exclusively from x-ray structural determinations, and infrared spectra of solids. Most calculational schemes so far deal with isolated molecules, and as one objective of the calculations is to provide thermodynamic functions, which, as far as coordination complexes are concerned, are measured in aqueous solution, we consider it necessary to compare some key properties of the substances as measured in the solid state and in solution. In particular, we want to investi- gate the extent to which internal vibrations are independent of the surroundings of the complexion.     

Prediction of Separation Factors Using Group Contribution Methods a Review

For separation process design calculations such as distillation, absorption and extraction it is unconditionally necessary to have quantitative information on the mixtures in consideration, i.e. knowledge about phase equilibrium compositions, heats of mixing etc.