Enantiomeric Cyclic Peptides with Different Caco‐2 Permeability Suggest Carrier‐Mediated Transport

Recently, oral absorption of cyclic hexapeptides was improved by N‐methylation of their backbone amides. However, the number and position of N‐methylations or of solvent exposed NHs did not correlate to intestinal permeability, measured in a Caco‐2 model. In this study, we investigate enantiomeric pairs of three polar and two lipophilic peptides to demonstrate the participation of carrier‐mediated transporters. As expected, all the enantiomeric peptides exhibited identical lipophilicity (logD_7.4) and passive transcellular permeability determined by the parallel artificial membrane permeability assay (PAMPA). However, the enantiomeric polar peptides exhibited different Caco‐2 permeability (P_app) in both directions a–b and b–a. The same trend was observed for one of the lipophilic peptide, whereas the second lipophilic enantiomer pair showed identical Caco‐2 permeability (within the errors). These findings provide the first evidence for the involvement of carrier‐mediated transport for peptides, especially for those of polar nature.     

Adiabatic passage Hartmann-Hahn cross polarization in NMR under magic angle sample spinning

We have recently demonstrated that polarization transfer using an adiabatic passage through the Hartmann-Hahn condition (APHH-CP) by a variation of the radio-frequency amplitude can substantially improve the transfer efficiency over Hartmann-Hahn cross polarization. Here we show that APHH-CP can be combined with fast magic angle sample spinning (MAS). The heteronuclear dipolar order, established in the course of the transfer, can indeed be created and preserved.     

Zur Kenntnis der kolloidchemischen Eigenschaften des Humus

Ohne ZusammenfassungMeinem verehrten Lehrer, Herrn Prof. Dr. H. Pallmann — auf dessen Anregung diese Arbeit ausgeführt würde — möchte ich für die mir zuteil gewordene Förderung und die wertvollen Ratschläge bestens danken.     

A mixed‐FEM formulation for nonlinear incompressible elasticity in the plane

This article deals with an expanded mixed finite element formulation, based on the Hu‐Washizu principle, for a nonlinear incompressible material in the plane. We follow our related previous works and introduce both the stress and the strain tensors as further unknowns, which yields a two‐fold saddle point operator equation as the corresponding variational formulation. A slight generalization of the classical Babu?ka‐Brezzi's theory is applied to prove unique solvability of the continuous and discrete formulations, and to derive the corresponding a priori error analysis. An extension of the well‐known PEERS space is used to define an stable associated Galerkin scheme. Finally, we provide an a posteriori error analysis based on the classical Bank‐Weiser approach. © 2002 John Wiley & Sons, Inc. Numer Methods Partial Differential Eq 18: 105–128, 2002     

Finding the best visualization of an ontology

An ontology is a classification model for a given domain. In information retrieval, ontologies are used to perform broad searches. An ontology can be visualized as nodes and edges. Each node represents an element and each edge a relation between a parent and a child element. Working with an ontology becomes easier with a visual representation. An idea is to use the expressive power of 3D representation to provide visualization for the user. In this paper, we propose a new method for positioning the elements of the visualized concept lattice in the 3D world based on operations research (OR) methods. One method uses a discrete location model to create an initial solution and we propose heuristic methods to further improve the visual result. We evaluate the visual results according to our success criteria and the feedback from users. Running times of the heuristic indicate that an improved version should be feasible for on-line processing and what-if analysis of ontologies.     

A p-version finite element method for nonlinear elliptic variational inequalities in 2D

This article introduces and analyzes a p-version FEM for variational inequalities resulting from obstacle problems for some quasi-linear elliptic partial differential operators. We approximate the solution by controlling the obstacle condition in images of the Gauss–Lobatto points. We show existence and uniqueness for the discrete solution u _p from the p-version for the obstacle problem. We prove the convergence of u _p towards the solution with respect to the energy norm, and assuming some additional regularity for the solution we derive an a priori error estimate. In numerical experiments the p-version turns out to be superior to the h-version concerning the convergence rate and the number of unknowns needed to achieve a certain exactness of the approximation.     

H MAS NMR monitoring of the C-labeled carbon scrambling for propane in zeolite H-ZSM-5

It has been demonstrated that ¹H MAS NMR spectroscopy can be used as a tool for in situ monitoring the reaction kinetics of ¹³C-labeled carbon scrambling in alkane molecules adsorbed on zeolite catalysts at the reaction temperature of 540–570 K. The accuracy of the results and the time resolution are improved compared to ¹³C MAS NMR spectroscopy.