Differently Glycosidated 2‐Amino‐2‐deoxy‐d‐glucopyranosiduronic Acids as Building Blocks in Peptide Synthesis

Seven differently glycosidated sugar amino acids (SSAs) derived from glucosamine have been prepared. Following standard solution‐phase peptide‐coupling procedures, the glycosidated 2‐amino‐2‐deoxy‐D ‐glucopyranosiduronic acids were condensed with natural amino acids to furnish useful heterodi‐ and ‐trimeric building blocks to be used in peptide synthesis. Combinations of these building blocks yielded hetero‐oligomeric peptides with two sugar amino acid units in different distances to each other. These were prepared to evaluate the influence of glycosidic side chains on the peptide backbone. Conformations of selected examples were examined by means of ROESY spectroscopy in combination with molecular dynamics (MD) simulations and circular‐dichroism (CD) studies.     

Correction to: Accelerating Reactive Transport Modeling: On-Demand Machine Learning Algorithm for Chemical Equilibrium Calculations

Transport in Porous Media - In the original publication of the article, Table 2 was published incorrectly.     

The antiferromagnetic structures of KFeS2, RbFeS2, KFeSe2, and RbFeSe2 and the correlation between magnetic moments and crystal field calculations

The ternary compounds KFeS₂, RbFeS₂, KFeSe₂, and RbFeSe₂ were prepared and their crystal structures were determined from single-crystal diffractometer data. The atomic arrangement in the isotypic compounds (space group C2/c) is characterized by tetrahedra of chalcogen atoms. Those tetrahedra are centered by iron ions and linked by edges, thus forming chains of ¹_∞[FeX⁻_4/2] frameworks (X S or Se). Susceptibility measurements are reported. Neutron difraction experiments on powdered samples revealed magnetic structures in the antiferromagnetically ordered state. The magnetic moments of the iron ions shows a significant dependence of the atomic arrangement. Therefore calculations based on a simple point charge model are discussed to correlate the magnetic moments and crystal field splittings.     

Accelerating Reactive Transport Modeling: On-Demand Machine Learning Algorithm for Chemical Equilibrium Calculations

Transport in Porous Media - During reactive transport modeling, the computing cost associated with chemical equilibrium calculations can be 10 to 10,000 times higher than that of fluid flow, heat...     

Investigations concerning the work function of doped graphite

In order to reduce the burning off of electrodes in electric arc furnaces, it is necesary to decrease the specific thermal load at the tip in the arc attachment area. This can be achieved by minimizing the work function of the electrode materials, whereby the peak temperature is reduced. The work function of doped graphite electrodes was investigated under conditions prevailing during standard industrial practice in order to achieve transferrable results. The measurement equipment developed to meet this requirement is based on a design first proposed by Bade and Yos. By measuring the peak temperature of the electrode and its current density, the value of the work function of the material was calculated with a modified Richardson equation. Starting from materials with well-known values of the work function, to verify, the accuracy of the experimental method and the mathematical model, those of pure and dopedgraphites were determined. The additives, oxides as a rule, result in a significant reduction in electron work function in the case of magnesium, calcium and cerium oxides.