Models for spin-dependent transport in helical molecules

Chiral molecules act as strong spin filters for transmitted electrons (chiral-induced spin selectivity). The interplay of geometry and spin mediated by spin-orbit coupling is commonly assumed as the cause of the effect, but the theoretical description remains incomplete. In this thesis, two models for electron transport through helical molecules were investigated: an atomistic tight binding model for the molecule helicene and a simple continuum model for an electron in a helix-shaped potential. In an attempt to cover the middle ground between phenomenological tight binding approaches and detailed first principle simulations, the helicene model starts with a lattice of carbon atoms represented by a minimal basis of local atomic s- and p-orbitals including electronic nearest-neighbor and spin-orbit interactions. Löwdin partitioning is used to reduce the model to a p-orbital tight binding representation, providing numeric values for all the couplings dependent on geometry. Transport calculations showed helicity dependent spin polarization several orders of magnitude smaller than experimentally observed. To understand the effect on a more fundamental level, an electron moving through a helix-shaped confinement potential in 3D space with spin-orbit coupling was considered. By taking the limit of strong confinement, an approximate model with one-dimensional configuration space (the helix) was obtained. Novel onsite spin-orbit coupling terms appear in the effective Hamiltonian, leading to sizeable spin polarization in transport calculations. These new terms are thoroughly justified by the adiabatic limiting procedure which was adapted to include spin-orbit coupling and might thus provide one of the missing pieces for the theory of chiral-induced spin selectivity

Rationale of using different biological therapies in rheumatoid arthritis

Due to ongoing developments of novel agents in the field of biological pharmacotherapy, there are now more arrows available in clinicians' quivers for the treatment of rheumatic conditions. As a consequence, however, clear treatment strategies have to be defined in order to guarantee a qualitatively high and individually stage-adapted, state-of-the-art regimen for affected patients. This review summarizes recent evidence regarding the rationale of using different biological therapies to treat rheumatoid arthritis, the most common inflammatory joint disorder after activated osteoarthritis, and draws an actual picture of a possible standardized therapeutic algorithm without claiming exclusive appropriateness

Maxwell's equations revisited -- mental imagery and mathematical symbols

Using Maxwell's mental imagery of a tube of fluid motion of an imaginary fluid, we derive his equations $\operatorname{curl} \mathbf{E} = -\frac{\partial \mathbf{B}}{\partial t}$, $\operatorname{curl} \mathbf{H} = \frac{\partial \mathbf{D}}{\partial t} + \mathbf{j}$, $\operatorname{div} \mathbf{D} = \varrho$, $\operatorname{div} \mathbf{B} = 0$, which together with the constituting relations $\mathbf{D} = \varepsilon_0 \mathbf{E}$, $\mathbf{B} = \mu_0 \mathbf{H}$, form what we call today Maxwell's equations. Main tools are the divergence, curl and gradient integration theorems and a version of Poincare's lemma formulated in vector calculus notation. Remarks on the history of the development of electrodynamic theory, quotations and references to original and secondary literature complement the paper

The Rev/Rex homolog HERV-K cORF multimerizes via a C-terminal domain

AbstractExpression of human endogenous retrovirus K (HERV-K) is associated with germ-cell neoplasia. HERV-K encodes a protein of the Rev/Rex family, cORF, that supports cellular transformation and binds the promyelocytic leukemia zinc finger (PLZF) protein implicated in spermatogenesis. Rev/Rex function invariably depends on multimerization. Here we show that cORF likewise self-associates to form higher-order oligomers. Amino acids (aa) 47–87 in cORF are sufficient, aa 75–87 essential for self-association. Consistently, this domain is predicted to form a hydrophobic α-helix that may represent an oligomerization interface. The existence of a dimerization-competent cORF mutant lacking PLZF-binding activity (cORF47–87) suggests a way of dominant negative inhibition of the proposed tumor susceptibility factor cORF

Life chances after surgery of congenital heart disease: A case-control-study of inter- And intragenerational social mobility over 15 years

Background Patients of congenital heart disease surgery have good prospects for reaching old age. Against the backdrop of increasing life expectancies, the question of how well such patients are mastering daily routines and their working life emerges. In our study, the educational and occupational performance of patients over 15 years was examined. Methods Intergenerational social mobility (changes in social positions from the parental generation to the generation of children) was examined in terms of education, and intragenerational social mobility (changes in positions within the same generation, i.e., in individuals over their life courses) was examined in terms of occupational positions. Comparisons were made between patients and a control group drawn from the German Socio-Economic Panel (SOEP). Controls were drawn from respondents who participated in the 2004 and 2018 SOEP surveys. Results The data were from 244 out of 360 patients (68%) with complete social data from the first survey (2003-2004) and who were included in the follow-up (2017-2019), and 238 controls were drawn from the SOEP. At the time of the second survey, subjects\u27 ages ranged from 28 to 59 years of age (M = 40.1 years). Intergenerational educational mobility did not differ between cases and controls. For intragenerational social mobility, downward changes were more frequent among controls. This latter finding may be explained by patients retiring earlier than the general population. Retirement rates increased over time, particularly among patients with severe congenital malformations. Unemployment rates were also higher among patients. Conclusions Taken together, although a considerable proportion of patients with congenital heart disease retired prematurely or never entered the labour force, their educational and occupational careers proceeded more favourably than expected

The Human Formin FHOD1 Contains a Bipartite Structure of FH3 and GTPase-Binding Domains Required for Activation

SummaryFormins induce the nucleation and polymerization of unbranched actin filaments. They share three homology domains required for profilin binding, actin polymerization, and regulation. Diaphanous-related formins (DRFs) are activated by GTPases of the Rho/Rac family, whose interaction with the N-terminal formin domain is thought to displace a C-terminal Diaphanous-autoregulatory domain (DAD). We have determined the structure of the N-terminal domains of FHOD1 consisting of a GTPase-binding domain (GBD) and the DAD-recognition domain FH3. In contrast to the formin mDia1, the FHOD1-GBD reveals a ubiquitin superfold as found similarly in c-Raf1 or PI3 kinase. This GBD is recruited by Rac and Ras GTPases in cells and plays an essential role for FHOD1-mediated actin remodeling. The FHOD1-FH3 domain is composed of five armadillo repeats, similarly to other formins. Mutation of one residue in the predicted DAD-interaction surface efficiently activates FHOD1 in cells. These results demonstrate that DRFs have evolved different molecular solutions to govern their autoregulation and GTPase specificity

Plasma Proteome Profiling to Assess Human Health and Disease

SummaryProteins in the circulatory system mirror an individual’s physiology. In daily clinical practice, protein levels are generally determined using single-protein immunoassays. High-throughput, quantitative analysis using mass-spectrometry-based proteomics of blood, plasma, and serum would be advantageous but is challenging because of the high dynamic range of protein abundances. Here, we introduce a rapid and robust “plasma proteome profiling” pipeline. This single-run shotgun proteomic workflow does not require protein depletion and enables quantitative analysis of hundreds of plasma proteomes from 1 μl single finger pricks with 20 min gradients. The apolipoprotein family, inflammatory markers such as C-reactive protein, gender-related proteins, and >40 FDA-approved biomarkers are reproducibly quantified (CV <20% with label-free quantification). Furthermore, we functionally interpret a 1,000-protein, quantitative plasma proteome obtained by simple peptide pre-fractionation. Plasma proteome profiling delivers an informative portrait of a person’s health state, and we envision its large-scale use in biomedicine