Björn Dahlgren

KTH Royal Institute of Technology | KTH · Department of Chemistry

In this work we have explored the nature of macroradicals formed upon radiolysis of aqueous poly(N-vinylpyrrolidone) (PVP) solutions using pulse radiolysis, density functional theory (DFT) and literature data. On the basis of literature data on site-specific kinetics of hydrogen abstraction from simple amides and spectra corresponding to specific r...

In this work, a new method for numerical simulation of the radiation chemistry of aqueous polymer solutions exposed to a sequence of electron pulses is presented. The numerical simulations are based on a deterministic approach encompassing the conventional homogeneous radiation chemistry of water as well as the chemistry of polymer radicals. The mu...

A new method for numerical simulation of the radiation chemistry of aqueous polymer solutions is introduced. The method makes use of a deterministic approach combining the conventional homogeneous radiation chemistry of water with the chemistry of polymer radicals and other macromolecular species. The method is applied on single pulse irradiations...

Nanogels are very promising biomedical nanodevices. The classic “radiation chemistry-based” approach to synthetize nanogels consists in the irradiation with pulsed electron beams of dilute, N 2 O-saturated, aqueous solutions of water-soluble polymers of the “crosslinking type”. Nanogels with controlled size and properties are produced in a single i...

Evidence of physical interaction with the target protein is essential in the development of chemical probes and drugs. The cellular thermal shift assay (CETSA) allows evaluation of drug binding in live cells, but lacks a framework to support quantitative interpretations and comparisons with functional data. We outline an experimental platform for s...

In radiolysis of water, three molecular products are formed (H2O2, O2, and H2). It has previously been shown that aqueous hydrogen peroxide is catalytically decomposed on many oxide surfaces and that the decomposition proceeds via the formation of surface-bound hydroxyl radicals. In this work, we have investigated the behavior of aqueous H2 and O2...

A mechanistic investigation, which included a Hammett correlation analysis, evaluation of the effect of variation of catalyst composition, and low-temperature NMR spectroscopy studies, of the Lewis acid-Lewis base catalyzed addition of acetyl cyanide to prochiral aldehydes provides support for a reaction route that involves Lewis base activation of...

Abstract Understanding UO2 matrix dissolution is of major importance for the safety assessment of a future deep geological repository. Oxidative dissolution of UO2 and SIMFUEL pellets have been extensively studied in HCO 3 - solutions, while less is known about systems with no or very low HCO 3 - concentrations. The aim of this work is to elucidate...

The raw ionic solvation free energies calculated on the basis of atomistic (explicit-solvent) simulations are extremely sensitive to the boundary conditions and treatment of electrostatic interactions used during these simulations. However, as shown recently [Kastenholz, M. A.; Hünenberger, P. H. J. Chem. Phys.2006, 124, 224501 and Reif, M. M.; Hün...

The radiolysis of water adsorbed on the surface of ZrO2 nanoparticles has been examined using a variety of spectroscopic techniques. Irradiations were performed with fast electrons, ? rays, and 5 MeV helium ions. Infrared spectroscopic analysis of the surface reveals little change in the surface stoichiometry, which probably indicates the relative...

In this work, we have studied the impact of Y2O3 on the kinetics of oxidative dissolution of UO2 and the consumption of H2O2. The second order kinetics of catalytic consumption of H2O2 on Y2O3 was investigated in aqueous Y2O3 powder suspensions by varying the solid surface area to solution volume ratio. The resulting second order rate constant is 1...