Stochastic modeling of grain wear in geometric physically-based grinding simulations

Grinding processes can be optimized by simulating the influence of individual grains on process forces and surface topographies. However, the process results are significantly influenced by tool wear. Simulating this effect allows, e.g., the prediction of necessary tool changes when manufacturing large forming tools. Therefore, a new point-based approach for modeling arbitrarily shaped grains in different states of tool wear was developed. Based on a small amount of representative wear investigations, a flexible tool model was defined, which can be used for various tool shapes without further experiments. This model can be applied for grinding processes with varying engagement situations.     

GC–MS analysis of oxysterols and their formation in cultivated liver cells (HepG2)

Oxysterols play a key role in many (patho)physiological processes and they are potential biomarkers for oxidative stress in several diseases. Here we developed a rapid gas chromatographic-mass spectrometry-based method for the separation and quantification of 11 biologically relevant oxysterols bearing hydroxy, epoxy, and dihydroxy groups. Efficient chromatographic separation (resolution ≥ 1.9) was achieved using a medium polarity 35%-diphenyl/65%-dimethyl polysiloxane stationary phase material (30 m × 0.25 mm inner diameter and 0.25 μm film thickness). Based on thorough analysis of the fragmentation during electron ionization we developed a strategy to deduce structural information of the oxysterols. Optimized sample preparation includes (i) extraction with a mixture of n-hexane/iso-propanol, (ii) removal of cholesterol by solid phase extraction with unmodified silica, and (iii) trimethylsilylation. The method was successfully applied on the analysis of brain samples, showing consistent results with previous studies and a good intra- and interday precision of ≤20%. Finally, we used the method for the investigation of oxysterol formation during oxidative stress in HepG2 cells. Incubation with tert-butyl hydroperoxide led to a massive increase in free radical formed oxysterols (7-keto-chol > 7β-OH-chol >> 7α-OH-chol), while 24 h incubation with the glutathione peroxidase 4 inhibitor RSL3 showed no increase in oxidative stress based on the oxysterol pattern. Overall, the new method described here enables the robust analysis of a biologically meaningful pattern of oxysterols with high sensitivity and precision allowing us to gain new insights in the biological formation and role of oxysterols.     

Numerische Simulation dichtebeeinflusster und reaktiver Stofftransportprozesse im Grundwasser

Für die Prognose der Gef?hrdung der Schutzgüter Grundwasser und Boden gewinnen numerische Programmsysteme zur Simulation von Str?mungs- und Stofftransportprozessen immer mehr an Bedeutung. Im Mittelpunkt des Interesses stehen dabei komplexe geochemische Reaktionsvorg?nge, dichtebeeinflusste Str?mungs- und Stofftransportvorg?nge, komplizierte hydraulische Gegebenheiten und die Parameterbelegung gro?er Modelle. Das hier beschriebene Programmsystem MODCALIF erlaubt die dreidimensionale Simulation der dichtebeeinflussten Str?mung und des Stofftransportes. Die Verwendung neu integrierter L?sungalgorithmen erm?glicht eine grobe r?umliche Diskretisierung und damit eine deutliche Verringerung des Rechenaufwandes. Die Berücksichtigung unterschiedlicher Ans?tze zur Beschreibung der Wechselwirkungen zwischen gel?stem Stoff und Feststoff sowie die Kopplung mit dem geochemischen Gleichgewichtsprogramm PHREEQC erlauben die Simulation des Stofftransportes für vielf?ltige Problemstellungen. Aufbauend auf einer kurzen Darstellung der theoretischen Grundlagen des Programmsystems MODCALIF wird das Programm verifiziert und seine Anwendbarkeit an zwei ausgew?hlten Fallbeispielen praktisch demonstriert.     

On the part inventory model sequencing problem: complexity and Beam Search heuristic

In many industries mixed-model assembly systems are increasingly supplied out of third-party consignment stock. This novel trend gives rise to a new short-term sequencing problem which decides on the succession of models launched down the line and aims at minimizing the cost of in-process inventory held by the manufacturer. In this work, we investigate the mathematical structure of this part oriented mixed-model sequencing problem and prove that general instances of the problem are NP-hard in the strong sense. Moreover, we develop a new Beam Search heuristic, which clearly outperforms existing solution procedures.     

Elucidation of Phosphatidylcholine Composition in Krill Oil Extracted from <Emphasis Type="Italic">Euphausia superba</Emphasis>

High performance liquid chromatography-electrospray tandem mass spectrometry was used to elucidate the phospholipids in krill oil extracted from Euphausia superba, an emerging source for human nutritional supplements. The study was carried out in order to map the species of the choline-containing phospholipid classes: phosphatidylcholine and lyso-phosphatidylcholine. In addition, the prevalent phosphatidylcholine class was quantified and the results compared with prior analysis. The qualification was performed with separation on a reverse phase chromatography column, while the quantification was obtained with class separation on a normal phase chromatography column. An Orbitrap system was used for the detection, and pulsed-Q dissociation fragmentation was utilized for the identification of the species. An asymmetrical exclusion list was applied for detection of phospholipid species of lower concentration, significantly improving the number of species observed. A total of 69 choline-containing phospholipids were detected, whereof 60 phosphatidylcholine substances, among others seven with probable omega-3 fatty acids in both sn-1 and sn-2. The phosphatidylcholine concentration was estimated to be 34 ± 5 g/100 g oil (n = 5). These results confirm the complexity of the phospholipid composition of krill oil, and the presence of long chained, heavily unsaturated fatty acids.     

Alumina–Aluminide Alloys (3A) Technology: I, Model Development

The general reaction behavior of the 3A process under the thermal explosion mode of synthesis has been investigated via a continuum model. The continuum model uses mass and energy balances to predict temperature difference ( T _s,avg− T _f) curves, as well as profile curves of the reactant conversions and sample temperature. In particular, the effect of the dimensionless parameters associated with the rate of local heat generation (β, the thermicity factor), the activation energy (γ, the Arrhenius number), the rate of heat redistribution (α, the modified thermal diffusivity), the rate of heat transfer by convection (Bi, the Biot number or convective heat transfer parameter), and the rate of heat transfer by radiation (Ω, the radiative heat transfer parameter) were investigated. Conditions to control the reaction process, which should produce high-density final products, were determined. It was found that the overall maximum temperature may be reduced for high γ, low β, high α, and high Bi and Ω. In terms of processing conditions, this may be obtained by reducing the initial reactant concentrations, optimizing the particle size, using small sample sizes and high compaction pressure, and increasing the heat loss by using a high thermal conductivity inert gas.     

Hydrophobicity engineering of cholera toxin A1 subunit in the strong adjuvant fusion protein CTA1-DD

Protein engineering of the cholera toxin A1 subunit (CTA1) fusedto a dimer of the Ig-binding D-region of Staphylococcus aureusprotein A (DD) was employed to investigate the effect of specificamino acid changes on solubility, stability, enzymatic activityand capacity to act as an adjuvant in vivo. A series of CTA1-DDanalogues were selected by a rational modeling approach, inwhich surface-exposed hydrophobic amino acids of CTA1 were exchangedfor hydrophilic counterparts modeled for best structural fit.Of six different mutants initially produced, two analogues,CTA1Phe132Ser-DD and CTA1Pro185Gln-DD, were demonstrated tohave 50 and 70% increased solubility, respectively, at neutralpH. The double mutant CTA1Phe132Ser/Pro185Gln-DD was at leastthreefold more soluble, demonstrating an additive effect ofthe two mutations. Only the Phe132Ser analogue retained fullbiological activity and stability compared with the native CTA1-DDfusion protein. Two mutants, Pro185Gln and Phe31His mutations,exhibited unaltered ADP-ribosyltransferase activity in vitro,but demonstrated markedly reduced adjuvant function. Since thePro185 and Phe31 amino acids are located in close vicinity onthe distal side of the molecule relative to the enzymaticallyactive cleft, it is conceivable that this region is involvedin mediating a biological function, separate from the enzymaticactivity but intrinsic to the adjuvant activity of CTA1.