Nonequilibrium molecular dynamics simulations of nanoconfined fluids at solid-liquid interfaces.

We investigate the hydrodynamic properties of a Lennard-Jones fluid confined to a nanochannel using molecular dynamics simulations. For channels of different widths and hydrophilic-hydrophobic surface wetting properties, profiles of the fluid density, stress, and viscosity across the channel are obtained and analysed. In particular, we propose a linear relationship between the density and viscosity in confined and strongly inhomogeneous nanofluidic flows. The range of validity of this relationship is explored in the context of coarse grained models such as dynamic density functional-theory.

Dynamical density functional theory with hydrodynamic interactions in confined geometries.

We study the dynamics of colloidal fluids in both unconfined geometries and when confined by a hard wall. Under minimal assumptions, we derive a dynamical density functional theory (DDFT) which includes hydrodynamic interactions (HI; bath-mediated forces). By using an efficient numerical scheme based on pseudospectral methods for integro-differential equations, we demonstrate its excellent agreement with the full underlying Langevin equations for systems of hard disks in partial confinement. We further use the derived DDFT formalism to elucidate the crucial effects of HI in confined systems.

Unification of dynamic density functional theory for colloidal fluids to include inertia and hydrodynamic interactions: derivation and numerical experiments.

Starting from the Kramers equation for the phase-space dynamics of the N-body probability distribution, we derive a dynamical density functional theory (DDFT) for colloidal fluids including the effects of inertia and hydrodynamic interactions (HI). We compare the resulting theory to extensive Langevin dynamics simulations for both hard rod systems and three-dimensional hard sphere systems with radially symmetric external potentials. As well as demonstrating the accuracy of the new DDFT, by comparing with previous DDFTs which neglect inertia, HI, or both, we also scrutinize the significance of including these effects. Close to local equilibrium we derive a continuum equation from the microscopic dynamics which is a generalized Navier-Stokes-like equation with additional non-local terms governing the effects of HI. For the overdamped limit we recover analogues of existing configuration-space DDFTs but with a novel diffusion tensor.

Multi-species dynamical density functional theory.

We study the dynamics of a multi-species colloidal fluid in the full position-momentum phase space. We include both inertia and hydrodynamic interactions, which strongly influence the non-equilibrium properties of the system. Under minimal assumptions, we derive a dynamical density functional theory (DDFT), and, using an efficient numerical scheme based on spectral methods for integro-differential equations, demonstrate its excellent agreement with the full underlying Langevin equations. We utilise the DDFT formalism to elucidate the crucial effects of hydrodynamic interactions in multi-species systems.

The Zürich School of Psychiatry in theory and practice. Sabina Spielrein's treatment at the Burghölzli Clinic in Zürich.

The remarkably caring and privileged treatment of Sabina Spielrein at the Burghölzli Hospital 1904/05 (as shown by the records) exemplifies the standards and key concepts of the Zürich School of Psychiatry, founded by Auguste Forel and represented by the then current director Eugen Bleuler, as well as the specific dynamics between Bleuler, his first assistant C. G. Jung, and Spielrein herself. Bleuler, in accordance with the trauma theory of hysteria, steadfastly promoted the separation from her traumatizing family and supported her scientific education. Jung, deeply and emotionally involved, revealed how she had been traumatized, but in focusing on her masochistic feelings rather than on the victimization, he established a rather conflicted personal relationship with her, foreshadowing his later ambivalent attitude to Freud's sexual theory. Thus Sabina was discharged with a reasonable psychiatric and scientific education but an unreasonable need for personal dependency.

[Kinetics of lipids and lipoproteins with determination of the recovery rate in the non-steady state following plasma, membrane filtration and dextran sulfate adsorption apheresis in hypercholesterolemia]. / Kinetik der Lipide und Lipoproteine mit Bestimmung der Recovery-Rate im Non Steady State nach Plasma-, Membranfiltrations- und Dextransulfatadsorptionsapherese bei Hypercholesterinämie.

In the work presented here, the efficiency of the following techniques was determined in the period 1983-1988 with respect to the elimination of lipids, lipoproteins and apoproteins in patients with severe hypercholesterolemia; firstly with plasmapheresis, then with membrane-filtration apheresis, and recently with dextran sulfate adsorption apheresis. Furthermore, the loss resulting from removal by apheresis in lipids, lipoproteins and apoproteins was calculated by means of a single-compartment model from pool size and recovery rates. It could be shown that the individual lipids (TG, CH, LDL-CH, P) in the serum as well as in the lipoprotein fractions (VLDL, LDL, HDL) attained new steady states at differing rates, the recovery times for cholesterol being the longest, those of HDL-CH and apoproteins AI, AII, CII, CIII and E the shortest. The absolute replacement in "mg/kg BW/d" was 35 for beta-lipoprotein, 18-22 for total-CH, 13-17 for LDL-CH, 10-12 for apoprotein B; for the antiatherogenic lipids HDL-CH it was 1.72-2.7 mg/kg BW/d; for alpha-lipoprotein 14-23 mg/kg BW/d; for apoprotein HDL 16-19 mg/kg BW/d. The recovery rates for anti- and atherogenic lipids for women with heterozygous FH were higher than for men with FH. Rates of 0.235; 0.510 and 0.183 mg/kg BW/d were measured for CII, CIII and apoprotein E respectively. Dextran sulphate adsorption apheresis (Kaneka) is a more specific method for eliminating LDL-CH and apoprotein B than plasmapheresis and membrane filtration apheresis. The amounts removed in LDL and apo B with the Kaneka technique are largely identical with those taken out by membrane filtration. Larger relative and absolute recovery rates for LDL-CH, total-CH and apo B were found after Kaneka's DSA-apheresis, which may be explained by the more specific removal in LDL-CH and apo B.

Sequence of the mglB gene from Escherichia coli K12: comparison of wild-type and mutant galactose chemoreceptors.

The mglB gene of Escherichia coli codes for a galactose-binding protein (GBP) that serves both as the galactose chemoreceptor and as the recognition component of the beta-methylgalactoside transport system. The mglB551 mutation eliminates the chemotactic function of GBP without altering its transport or substrate-binding properties. To investigate the interaction between GBP and Trg, the chemotactic signal transducer for galactose, we sequenced the mglB genes from wild-type and mglB551 mutant strains. The mutation causes the replacement of Gly74 of GBP by Asp. This residue is located in alpha-Helix III at the tip of the P domain in the GBP tertiary structure farthest removed from the substrate-binding cleft between the P and Q domains. We conclude that Helix III must be part of, or at least adjacent to, the recognition site for Trg. Our sequence also included part of the mglA gene, which is immediately distal to mglB. The amino acid sequence deduced for the beginning of the MglA protein showed homology with a family of polypeptides that contain an ATP-binding site and are components of binding-protein-dependent transport systems.

Dynamics and control of the transmission of gonorrhea.

Calculations revealed that approximately a third of the reported cases of gonorrhea in women during 1973-1975 were discoveries of the screening program. Theoretical models and epidemiologic data showed that the prevalence of gonorrhea adjusts rapidly to changes in social behavior, medical treatment, and control programs, that prevalence oscillates seasonally around an equilibrium state determined by the current social and medical conditions, and that this equilibrium moves as epidemiologic conditions change. The incidence of gonorrhea is theoretically limited by saturation in a sexually active core population, and this core causes gonorrhea to remain endemic.