The generalized Lévêque equation and its practical use for the prediction of heat and mass transfer rates from pressure drop

Based on the generalized Lévêque equation (GLE) a new type of analogy between pressure drop and heat transfer has been discovered, that may be used in the cross corrugated channels of chevron type plate heat exchangers, in packed beds, in tube bundles, in crossed rod matrices or in many other spacewise periodic arrangements.Experimental data on heat transfer in tube bundles in crossflow, both inline, and staggered arrangements, had been recently tested in greater detail. Using an empirical correlation for pressure drop in these arrangements from the literature that has been successfully tested against a large number of experimental pressure drop data, heat transfer data collected earlier could be very well represented from the pressure drop correlation and the GLE. The data for staggered bundles have been shown to be in better agreement with this new method, than with the existing empirical heat and mass transfer correlations. Somewhat larger deviations for inline tube bundles had been found at lower Reynolds numbers. Here a simple and physically reasonable correction function of Re is presented, which leads to a better agreement for the inline bundles, too.Additionally, it can be shown for a number of literature data on tube bundles and on crossed rod matrices that the agreement with the GLE prediction is even better if original pressure drop data from the same sources are available in place of a pressure drop correlation.The method results in reasonable heat or mass transfer predictions from frictional pressure drop, which may be widely used in chemical engineering applications.     

Evolutionary Imprint of Catalytic Domains in Fungal PKS–NRPS Hybrids

Fungal hybrid enzymes consisting of a polyketide synthase (PKS) and a nonribosomal peptide synthetase (NRPS) module are involved in the biosynthesis of a vast array of ecologically and medicinally relevant natural products. Whereas a dozen gene clusters could be assigned to the requisite PKS–NRPS pathways, the programming of the multifunctional enzymes is still enigmatic. Through engineering and heterologously expressing a chimera of PKS (lovastatin synthase, LovB) and NRPS (cytochalasin synthase, CheA) in Aspergillus terreus, we noted the potential incompatibility of a fungal highly reducing PKS (hrPKS) with the NRPS component of fungal PKS–NRPS hybrids. To rationalize the unexpected outcome of the gene fusion experiments, we conducted extensive bioinformatic analyses of fungal PKS–NRPS hybrids and LovB‐type PKS. From motif studies and the function of the engineered chimeras, a noncanonical function of C‐terminal condensation (C) domains in truncated PKS–NRPS homologues was inferred. More importantly, sequence alignments and phylogenetic trees revealed an evolutionary imprint of the PKS–NRPS domains, which reflect the evolutionary history of the entire megasynthase. Furthermore, a detailed investigation of C and adenylation (A) domains provides support for a scenario in which not only the A domain but also the C domain participates in amino acid selection. These findings shed new light on the complex code of this emerging class of multifunctional enzymes and will greatly facilitate future combinatorial biosynthesis and pathway engineering approaches towards natural product analogues.     

Mullite Coatings on SiC and C/C–Si–SiC Substrates Characterized by Infrared Spectroscopy

Mullite (3Al₂O₃·2SiO₂) coatings on SiC substrates and SiC precoated carbon/carbon composite (C/C-Si-SiC) substrates were produced by pulsed laser deposition (PLD) using pressed mullite powder targets. The layers can be characterized efficiently by IR reflection spectroscopy in the spectral range between 650 and 5000 cm⁻¹. The deposited coatings turn into mullite upon oxidation in air at temperatures between 1400° and 1600°C. Fabry-Perot interferences indicate a high quality and homogeneity of the mullite coating/SiC substrate interface. Amorphous SiO₂ gradually forms during prolonged heating or at higher temperatures.     

Morphology of polymer blends in the melting section of co‐rotating twin screw extruders

The properties of polymer blends are largely determined by the morphological structure of the polymer combinations that are involved. In terms of extruder design, this means it is necessary to have models available for estimating the development of the morphology over the length of the screws. Since significant morphological changes are observed in the melting section, in particular, is it necessary to analyze not only the plasticizing process for binary material combinations but also the initial formation and further development of the morphology in this section of the extruder. In the framework of this study, experimental investigations were conducted into polypropylene/polyamide 6 (PP/PA6) blends with small components (by weight) of the disperse PA phase. Apart from varying the process conditions of screw speed and throughput, the viscosity ratio was also varied through the use of two different PP grades. The degree of melting and the development of the morphology over the length of the screws were determined for the individual tests. The study of blend morphology in the melting section reveals key findings that must be taken into account for modeling the initial formation and further development of the morphology. It is very clear that, on the second component, which melts at higher temperatures, a kind of melt film removal occurs at the surface of the granules as they melt. The drops of second component in the melting section, which are directly adjacent to components that have not yet fully melted in some cases, have already assumed dimensions (in the μm range) similar to those that are seen at the end of the extrusion process. This means that, in the melting section of the twin‐screw extruder, no volumes become detached from or are worn off the already‐molten granule surfaces. An evaluation of scanning electron micrographs also shows that, in the melting section of co‐rotating twin‐screw extruders, virtually all the degradation mechanisms that can essentially be distinguished, such as quasi‐steady drop breakup, folding, end pinching and decomposition through capillary instabilities, take place in parallel.     

Detailed Structure–Function Correlations of Bacillus subtilis Acetolactate Synthase

Isobutanol is deemed to be a next‐generation biofuel and a renewable platform chemical. 1 Non‐natural biosynthetic pathways for isobutanol production have been implemented in cell‐based and in vitro systems with Bacillus subtilis acetolactate synthase (AlsS) as key biocatalyst. 2 – 6 AlsS catalyzes the condensation of two pyruvate molecules to acetolactate with thiamine diphosphate and Mg²⁺ as cofactors. AlsS also catalyzes the conversion of 2‐ketoisovalerate into isobutyraldehyde, the immediate precursor of isobutanol. Our phylogenetic analysis suggests that the ALS enzyme family forms a distinct subgroup of ThDP‐dependent enzymes. To unravel catalytically relevant structure‐function relationships, we solved the AlsS crystal structure at 2.3 Å in the presence of ThDP, Mg²⁺ and in a transition state with a 2‐lactyl moiety bound to ThDP. We supplemented our structural data by point mutations in the active site to identify catalytically important residues.     

Synthesis and Biopharmaceutical Evaluation of Imatinib Analogues Featuring Unusual Structural Motifs

A convenient synthesis of imatinib, a potent inhibitor of ABL1 kinase and widely prescribed drug for the treatment of a variety of leukemias, was devised and applied to the construction of a series of novel imatinib analogues featuring a number of non‐aromatic structural motifs in place of the parent molecule's phenyl moiety. These analogues were subsequently evaluated for their biopharmaceutical properties (e.g., ABL1 kinase inhibitory activity, cytotoxicity). The bicyclo[1.1.1]pentane‐ and cubane‐containing analogues were found to possess higher themodynamic solubility, whereas cubane‐ and cyclohexyl‐containing analogues exhibited the highest inhibitory activity against ABL1 kinase and the most potent cytotoxicity values against cancer cell lines K562 and SUP‐B15. Molecular modeling was employed to rationalize the weak activity of the compounds against ABL1 kinase, and it is likely that the observed cytotoxicity of these agents arises through off‐target effects.     

Development of novel 1,2,3,4-tetrahydroisoquinoline derivatives and closely related compounds as potent and selective dopamine D3 receptor ligands

Based on N-alkylated 1,2,3,4-tetrahydroisoquinoline derivatives, which are structurally related to the partial agonist BP 897, a series of novel, selective dopamine D3 receptor antagonists has been synthesised. Derivatisation included changes in the arylamide moiety and the tetrahydroisoquinoline substructure leading to compounds with markedly improved selectivities and affinities in the low nanomolar concentration range. From the 55 structures presented here, (E)-3-(4-iodophenyl)-N-(4-(1,2,3,4-tetrahydroisoquinolin-2-yl)butyl)acrylamide (51) has high affinity (Ki(hD3)=12 nM) and a 123-fold preference for the D3 receptor relative to the D2 receptor subtype. Its pharmacological profile offers the prospect of a novel radioligand as a tool for various dopamine D3-receptor-related in vitro and in vivo investigations.     

Switchable Plasmonic Metasurface Utilizing the Electro-Optic Kerr Effect of a Blue Phase Liquid Crystal

A switchable metasurface composed of plasmonic split ring resonators and a polymer-stabilized liquid crystal blue phase is developed. Owing to field-induced birefringence (electro-optic Kerr effect), the state of polarization of the incident near infrared radiation changes, when a voltage is applied to the liquid crystal. Thus, different resonant modes of the split ring resonators can be addressed and the transmission spectrum changes accordingly. In comparison with other liquid crystal phases, blue phases have several advantages. For example, they are optically isotropic in the field-off state, so that no alignment layer is required. The results of the present study indicate that the advantages of these mesophases can be utilized for switchable metasurfaces.