On Surface Losses in Direct Metal Laser Sintering Printed Millimeter and Submillimeter Waveguides

Different lengths of WR3 (220–330 GHz) and WR10 (75–110 GHz) waveguides are fabricated through direct metal laser sintering (DMLS). The losses in these waveguides are measured and modelled using the Huray surface roughness model. The losses in WR3 are around 0.3 dB/mm and in WR10 0.05 dB/mm. The Huray equation model is accounting relatively good for the attenuation in the WR10 waveguide but deviates more in the WR3 waveguide. The model is compared to finite element simulations of the losses assuming an approximate surface structure similar to the resulting one from the DMLS process.     

Effects of feed composition,protein denaturation and storage of milk serum protein/lactose powders on lactosylation

During whey powder production, the feed is subjected to several heat treatments which can cause lactosylation of proteins. In this study, lactosylation of whey proteins was evaluated in spray-dried powders before and after storage by varying the native protein fraction as well as the serum protein/lactose ratio in the powders. The lactosylation of native α-lactalbumin and β-lactoglobulin in the powders before storage was not affected to a large extent by the protein denaturation or if the feed had been heat treated in a high or low lactose environment. After storage (relative humidity of 23.5%, 30 °C, 25 days), the kinetic of lactosylation tended to increase with increasing native protein fraction and bulk protein content in the powders. An explanation could be that proteins dissolved in the lactose glassy structure might have a lower reactivity, while proteins present in the protein glassy structure with dissolved lactose may display higher lactosylation reactivity.     

The sources of the urban wage premium by worker skills: Spatial sorting or agglomeration economies?

We estimate the respective importance of spatial sorting and agglomeration economies in explaining the urban wage premium for workers with different sets of skills. Sorting is the main source of the wage premium. Agglomeration economies are in general small, but are larger for workers with skills associated with non‐routine job tasks. They also appear to involve human capital accumulation, as evidenced by the change in the wage of workers moving away from denser regions. For workers with routine jobs, agglomeration economies are virtually non‐existent. Our results provide further evidence of spatial density bringing about productivity advantages primarily in contexts when problem‐solving and interaction with others are important.     

Chemical Expansion Due to Hydration of Proton‐Conducting Perovskite Oxide Ceramics

The crystal structures of proton‐conducting BaZr_1?xY_xO_3?x/2 (BZY05–BZY20) and BaCe_0.8Y_0.2O_2.9 (BCY20) during hydration/dehydration has been studied by in situ high‐temperature X‐ray diffraction and thermal analysis. A contraction/expansion of the crystal lattice associated with dehydration/hydration was observed for all materials at elevated temperatures and the polymorphic phase transition temperatures of BaCe_0.8Y_0.2O_2.9 were depressed by lowering the vapor pressure of water. A thermodynamic formalism is introduced to describe the chemical expansion associated with the hydration of oxygen vacancies in acceptor‐doped oxides. A conventional point defect model was applied to describe the lattice strain associated with the hydration. The chemical expansion is discussed with respect to the available volumetric data on the hydration of proton‐conducting oxide materials and its likely impact on ceramic fuel cells/hydrogen separation membranes utilizing a proton‐conducting electrolyte.     

Design of a General‐Purpose European Compound Screening Library for EU‐OPENSCREEN

This work describes a collaborative effort to define and apply a protocol for the rational selection of a general‐purpose screening library, to be used by the screening platforms affiliated with the EU‐OPENSCREEN initiative. It is designed as a standard source of compounds for primary screening against novel biological targets, at the request of research partners. Given the general nature of the potential applications of this compound collection, the focus of the selection strategy lies on ensuring chemical stability, absence of reactive compounds, screening‐compliant physicochemical properties, loose compliance to drug‐likeness criteria (as drug design is a major, but not exclusive application), and maximal diversity/coverage of chemical space, aimed at providing hits for a wide spectrum of drugable targets. Finally, practical availability/cost issues cannot be avoided. The main goal of this publication is to inform potential future users of this library about its conception, sources, and characteristics. The outline of the selection procedure, notably of the filtering rules designed by a large committee of European medicinal chemists and chemoinformaticians, may be of general methodological interest for the screening/medicinal chemistry community. The selection task of 200K molecules out of a pre‐filtered set of 1.4M candidates was shared by five independent European research groups, each picking a subset of 40K compounds according to their own in‐house methodology and expertise. An in‐depth analysis of chemical space coverage of the library serves not only to characterize the collection, but also to compare the various chemoinformatics‐driven selection procedures of maximal diversity sets. Compound selections contributed by various participating groups were mapped onto general‐purpose self‐organizing maps (SOMs) built on the basis of marketed drugs and bioactive reference molecules. In this way, the occupancy of chemical space by the EU‐OPENSCREEN library could be directly compared with distributions of known bioactives of various classes. This mapping highlights the relevance of the selection and shows how the consensus reached by merging the five different 40K selections contributes to achieve this relevance. The approach also allows one to readily identify subsets of target‐ or target‐class‐oriented compounds from the EU‐OPENSCREEN library to suit the needs of the diverse range of potential users. The final EU‐OPENSCREEN library, assembled by merging five independent selections of 40K compounds from various expert groups, represents an excellent example of a Europe‐wide collaborative effort toward the common objective of building best‐in‐class European open screening platforms.     

Maxsim2—Real-time interactive simulations for computer-assisted teaching of pharmacokinetics and pharmacodynamics

We developed a computer program for use in undergraduate and graduate courses in pharmacology, pharmacokinetics and pharmacodynamics. This program can also be used in environmental and toxicological studies and preclinical simulation, to facilitate communication between modeling pharmacokineticists and project leaders or other decision-makers in the pharmaceutical industry. The program simulates the drug delivery and transport by means of (I) a six-compartment physiological pharmacokinetic flow model, (II) a system of traditional compartment models, or (III) a target-mediated drug disposition system. The program also can be used to simulate instantaneous equilibria between concentration and pharmacodynamic response, or as temporal delays between concentration and response. The latter is done by means of turnover models (indirect response models). Drug absorption, distribution, and elimination are represented by differential equations, which are described by organ and tissue volumes or other volumes of distribution, blood flows, clearance terms, and tissue-to-blood partition coefficients. The user can control and adjust these parameters by means of a slider in real time. By interactively changing the parameter values and simultaneously displaying the resulting concentration–time and/or response–time profiles, users can understand the major mechanisms that govern the disposition or the pharmacological response of the drug in the organism in real time. Schedule dependence is typically seen in clinical practice with a non-linear concentration–response relationship, and is difficult to communicate except via simulations. Here, we sought to illustrate the potential advantages of this approach in teaching pharmacology, pharmacokinetics, and pharmacodynamics to undergraduate pharmacy-, veterinary-, and medical students or to project teams in drug discovery/development.     

Orange to green switching anthraquinone-based electrochromic material

An easily accessible anthraquinone-benzodithiophene-based high bandgap polymer (PTAq) was synthesized by Stille coupling reactions in remarkably high yield (96.5%). The highest occupied molecular orbital energy level of the polymer was estimated from the onset of oxidation in a cyclic voltammetry study to be −5.7 eV. PTAq showed an orange-to-green color switching with the application of a 1.0-V external potential to the polymer film, which was visible to the naked eye. The optical behavior change was also monitored using ultraviolet–visible absorption spectroscopy and revealed a respectable 75% transmittance change when the polymer film was subjected to a 1.0-V external potential. The high color contrast observed makes PTAq one of the most promising materials for electrochromic device applications. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 136, 47729.     

Integration of algae-based biofuel production with an oil refinery: Energy and carbon footprint assessment

Biofuel production from algae feedstock has become a topic of interest in the recent decades since algae biomass cultivation is feasible in aquaculture and does therefore not compete with use of arable land. In the present work, hydrothermal liquefaction of both microalgae and macroalgae is evaluated for biofuel production and compared with transesterifying lipids extracted from microalgae as a benchmark process. The focus of the evaluation is on both the energy and carbon footprint performance of the processes. In addition, integration of the processes with an oil refinery has been assessed with regard to heat and material integration. It is shown that there are several potential benefits of co-locating an algae-based biorefinery at an oil refinery site and that the use of macroalgae as feedstock is more beneficial than the use of microalgae from a system energy performance perspective. Macroalgae-based hydrothermal liquefaction achieves the highest system energy efficiency of 38.6%, but has the lowest yield of liquid fuel (22.5 MJ per 100 MJ_algae) with a substantial amount of solid biochar produced (28.0 MJ per 100 MJ_algae). Microalgae-based hydrothermal liquefaction achieves the highest liquid biofuel yield (54.1 MJ per 100 MJ_algae), achieving a system efficiency of 30.6%. Macro-algae-based hydrothermal liquefaction achieves the highest CO₂ reduction potential, leading to savings of 24.5 resp 92 kt CO_2eq/year for the two future energy market scenarios considered, assuming a constant feedstock supply rate of 100 MW algae, generating 184.5, 177.1 and 229.6 GWh_biochar/year, respectively. Heat integration with the oil refinery is only possible to a limited extent for the hydrothermal liquefaction process routes, whereas the lipid extraction process can benefit to a larger extent from heat integration due to the lower temperature level of the process heat demand.