Charged polymers transport under applied electric fields in periodic channels

By molecular dynamics simulations, we investigated the transport of charged polymers in applied electric fields in confining environments, which were straight cylinders of uniform or non-uniform diameter. In the simulations, the solvent was modeled explicitly and, also, the counterions and coions of added salt. The electrophoretic velocities of charged chains in relation to electrolyte friction, hydrodynamic effects due to the solvent, and surface friction were calculated. We found that the velocities were higher if counterions were moved away from the polymeric domain, which led to a decrease in hydrodynamic friction. The topology of the surface played a key role in retarding the motion of the polyelectrolyte and, even more so, in the presence of transverse electric fields. The present study showed that a possible way of improving separation resolution is by controlling the motion of counterions or electrolyte friction effects

Charge inversion effects in electrophoresis of polyelectrolytes in the presence of multivalent counterions and transversal electric fields

By molecular dynamics simulations we investigate the transport of charged polymers in confinement, under externally applied electric fields, in straight cylinders of uniform diameter and in the presence of monovalent or multivalent counterions. The applied electric field has two components; a longitudinal component along the axis of the cylinder and a transversal component perpendicular to the cylinder axis. The direction of electrophoretic velocity depends on the polyelectrolyte length, valency of the counterions present in solution and transversal electric field value. A statistical model is put forward in order to explain these observations

Disturbance-diversity relationships in two lakes of similar nutrient chemistry but contrasting disturbance regimes

Phytoplankton diversity was studied in two North German lakes of comparable nutrient chemistry but different exposure to winds. In both lakes, phytoplankton was primarily N-limited but diatoms were Si-limited. Plußsee had a very constant mixing depth during summer, while week-to-week changes of several meters were quite common in the more exposed Behler See. In Plußsee, phytoplankton biomass during summer came closer to the carrying capacity as defined by the available total N. In Plußsee there was a marked decline of diversity during the summer maximum of biomass, while this decline was less pronounced in Behler See. It is concluded that disturbances which prevented phytoplankton from reaching the carrying capacity also maintained a high level of diversity. A negative response of diversity to undisturbed conditions became apparent, after phytoplankton biomass had exceeded about 5% of the carrying capacity

Plankton ecology: The past two decades of progress

This is a selected account of recent developments in plankton ecology. The examples have been chosen for their degree of innovation during the past two decades and for their general ecological importance. They range from plankton autecology over interactions between populations to community ecology. The autecology of plankton is represented by the hydromechanics of plankton (the problem of life in a viscous environment) and by the nutritional ecology of phyto- and zooplankton. Population level studies are represented by competition, herbivory (grazing), and zooplankton responses to predation. Community ecology is represented by the debate about bottom- up vs. top-down control of community organization, by the PEG model of seasonal plankton succession, and by the recent discovery of the microbial food web

Molecular dynamics simulations of strain-induced phase transition of poly(ethylene oxide) in water

We study the dilute aqueous solutions of poly(ethylene oxide) (PEO) oligomers that are subject to an elongating force dipole acting on both chain ends using atomistic molecular dynamics. By increasing the force, liquid–liquid demixing can be observed at room temperature far below the lower critical solution temperature. For forces above 35 pN, fibrillar nanostructures are spontaneously formed related to a decrease in hydrogen bonding between PEO and water. Most notable is a rapid decrease in the bifurcated hydrogen bonds during stretching, which can also be observed for isolated single chains. The phase-segregated structures display signs of chain ordering, but a clear signature of the crystalline order is not obtained during the simulation time, indicating a liquid–liquid phase transition induced by chain stretching. Our results indicate that the solvent quality of the aqueous solution of PEO depends on the conformational state of the chains, which is most likely related to the specific hydrogen-bond-induced solvation of PEO in water. The strain-induced demixing of PEO opens the possibility to obtain polymer fibers with low energy costs because crystallization starts via the strain-induced demixing in the extended state only

Molecular mode of action and role of TP53 in the sensitivity to the novel epothilone sagopilone (ZK-EPO) in A549 non-small cell lung cancer cells

Sagopilone, an optimized fully synthetic epothilone, is a microtubule-stabilizing compound that has shown high in vitro and in vivo activity against a broad range of human tumor models. We analyzed the differential mechanism of action of sagopilone in non-small cell lung cancer cell lines in vitro. Sagopilone inhibited proliferation of non-small cell lung cancer cell lines at lower nanomolar concentration. The treatment with sagopilone caused strong disturbances of cellular cytoskeletal organization. Two concentration-dependent phenotypes were observed. At 2.5 nM sagopilone or 4 nM paclitaxel an aneuploid phenotype occur whereas a mitotic arrest phenotype was induced by 40 nM sagopilone or paclitaxel. Interestingly, treatment with 2.5 nM of sagopilone effectively inhibited cell proliferation, but - compared to high concentrations (40 nM) - only marginally induced apoptosis. Treatment with a high versus a low concentration of sagopilone or paclitaxel regulates a non-overlapping set of genes, indicating that both phenotypes substantially differ from each other. Genes involved in G2/M phase transition and the spindle assembly checkpoint, like Cyclin B1 and BUBR1 were upregulated by treatment with 40 nM sagopilone. Unexpectedly, also genes involved in DNA damage response were upregulated under that treatment. In contrast, treatment of A549 cells with a low concentration of sagopilone revealed an upregulation of direct transcriptional target genes of TP53, like CDKN1A, MDM2, GADD45A, FAS. Knockdown of TP53, which inhibited the transcriptional induction of TP53 target genes, led to a significant increase in apoptosis induction in A549 cells when treated with a low concentration of sagopilone. The results indicate that activation of TP53 and its downstream effectors like CDKN1A by low concentrations of sagopilone is responsible for the relative apoptosis resistance of A549 cells and might represent a mechanism of resistance to sagopilone

Localization transition of random copolymers at interfaces

We consider adsorption of random copolymer chains onto an interface within the model of Garel et al. Europhysics Letters 8, 9 (1989). By using the replica method the adsorption of the copolymer at the interface is mapped onto the problem of finding the ground state of a quantum mechanical Hamiltonian. To study this ground state we introduce a novel variational principle for the Green's function, which generalizes the well-known Rayleigh-Ritz method of Quantum Mechanics to nonstationary states. Minimization with an appropriate trial Green's function enables us to find the phase diagram for the localization-delocalization transition for an ideal random copolymer at the interface.Comment: 5 page

Nitrate- and silicate-competition among antarctic phytoplankton

Natural phytoplankton from antarctic waters in the Drake Passage were used for competition experiments in semicontinuous cultures. The outcome of interspecific competition for silicate and nitrate was studied at a range of Si:N ratios (from 2.6:1 to 425:1) and at three different dilution rates. For five species Monod kinetics of silicate-and nitrate-limited growth has been established. Comparison between theoretical predictions derived from Monod kinetics and the outcome of competition experiments showed only minor deviations. Contrary to literature data, considerable depletion of nitrate was found in antarctic seawater. Both the concentrations of soluble silicate and of nitrate were too low to support maximum growth rates of some of the diatom species under investigation

Comparison of potential growth rates of Ceratium hirundinella with observed population density changes

Ceratium hirundinella cells in Lake Constance divided during the second half of the night. Growth rates are calculated from the fraction of cells undergoing cell division. Potential growth rates are compared with observed changes in population density. The discrepancy between both is discussed as a possible function of fungal parasitism

Self-similar chain conformations in polymer gels

We use molecular dynamics simulations to study the swelling of randomly end-cross-linked polymer networks in good solvent conditions. We find that the equilibrium degree of swelling saturates at Q_eq = N_e**(3/5) for mean strand lengths N_s exceeding the melt entanglement length N_e. The internal structure of the network strands in the swollen state is characterized by a new exponent nu=0.72. Our findings are in contradiction to de Gennes' c*-theorem, which predicts Q_eq proportional N_s**(4/5) and nu=0.588. We present a simple Flory argument for a self-similar structure of mutually interpenetrating network strands, which yields nu=7/10 and otherwise recovers the classical Flory-Rehner theory. In particular, Q_eq = N_e**(3/5), if N_e is used as effective strand length.Comment: 4 pages, RevTex, 3 Figure