Force fluctuations in three-dimensional suspended fibroblasts.

Cells are sensitive to mechanical cues from their environment and at the same time generate and transmit forces to their surroundings. To test quantitatively forces generated by cells not attached to a substrate, we used a dual optical trap to suspend 3T3 fibroblasts between two fibronectin-coated beads. In this simple geometry, we measured both the cells' elastic properties and the force fluctuations they generate with high bandwidth. Cell stiffness decreased substantially with both myosin inhibition by blebbistatin and serum-starvation, but not with microtubule depolymerization by nocodazole. We show that cortical forces generated by non-muscle myosin II deform the cell from its rounded shape in the frequency regime from 0.1 to 10 Hz. The amplitudes of these forces were strongly reduced by blebbistatin and serum starvation, but were unaffected by depolymerization of microtubules. Force fluctuations show a spectrum that is characteristic for an elastic network activated by random sustained stresses with abrupt transitions.

Comparative density functional study of the complexes [UO2(CO3)3]4- and [(UO2)3(CO3)6]6- in aqueous solution.

With a relativistic all-electron density functional method, we studied two anionic uranium(VI) carbonate complexes that are important for uranium speciation and transport in aqueous medium, the mononuclear tris(carbonato) complex [UO(2)(CO(3))(3)](4-) and the trinuclear hexa(carbonato) complex [(UO(2))(3)(CO(3))(6)](6-). Focusing on the structures in solution, we applied for the first time a full solvation treatment to these complexes. We approximated short-range effects by explicit aqua ligands and described long-range electrostatic interactions via a polarizable continuum model. Structures and vibrational frequencies of "gas-phase" models with explicit aqua ligands agree best with experiment. This is accidental because the continuum model of the solvent to some extent overestimates the electrostatic interactions of these highly anionic systems with the bulk solvent. The calculated free energy change when three mono-nuclear complexes associate to the trinuclear complex, agrees well with experiment and supports the formation of the latter species upon acidification of a uranyl carbonate solution.

A density functional study of uranyl monocarboxylates.

We studied uranium(VI) monocarboxylate complexes by a relativistic density functional method using simple carboxylic acids as ligands, i.e. [UO2(OOCR)]+ (R = H, CH3, CH2CH3). These complexes exist in aqueous solution and, for R = CH3 and CH2CH3, may also be considered as models of uranyl complexated by humic substances. We investigated mono- and bidentate coordination modes. Short-range solvent effects were accounted for explicitly via aqua ligands of the first hydration shell and long-range electrostatic interactions were described via a polarizable continuum model. The calculated results for the uranyl U=O bond, the bond to aqua ligands, and the averaged uranium distances to equatorial oxygen atoms, U-Oeq, agreed quite well with EXAFS-derived interatomic distances. However, the uranyl-carboxylate bond was calculated to be notably shorter than the experimentally determined value. Experimental differences between mono- and bidentate coordination, obtained mainly from crystal structures, were qualitatively reproduced for the U-C distance but not for the average bond length, U-Oeq. We discuss these discrepancies between calculated and experimental results in some detail and suggest changes in the coordination number rather than variations of the coordination geometry as the main source of the experimentally observed variation of the U-Oeq distance.