Glycyl‐L‐alanine: a multi‐temperature neutron study

Neutron diffraction data have been collected at 12, 50, 150 and 295 K for the dipeptide glycyl‐L‐alanine, C₅H₁₀N₂O₃, in order to obtain accurate positional and anisotropic displacement parameters for the H atoms. The values of these parameters serve as a benchmark for assessing the equivalent parameters obtained from a so‐called Hirshfeld‐atom refinement of X‐ray diffraction data described elsewhere [Capelli et al. (2014). IUCrJ, 1 , 361–379]. The flexibility of the glycyl‐L‐alanine molecule in the solid and the hydrogen‐bonding interactions as a function of temperature are also considered.     

Experimental study of aortic flow in the ascending aorta via Particle Tracking Velocimetry

A three-dimensional, pulsatile flow in a realistic phantom of a human ascending aorta with compliant walls is investigated in vitro. Three-Dimensional Particle Tracking Velocimetry (3D-PTV), an image-based, non-intrusive measuring method is used to analyze the aortic flow. The flow velocities and the turbulent fluctuations are determined. The velocity profile at the inlet of the ascending aorta is relatively flat with a skewed profile toward the inner aortic wall in the early systole. In the diastolic phase, a bidirectional flow is observed with a pronounced retrograde flow developing along the inner aortic wall, whereas the antegrade flow migrates toward the outer wall of the aorta. The spatial and temporal evolution of the vorticity field shows that the vortices begin developing along the inner wall during the deceleration phase and attenuate in the diastolic phase. The change in the cross-sectional area is more distinct distal to the inlet cross section. The mean kinetic energy is maximal in the peak systole, whereas the turbulent kinetic energy increases in the deceleration phase and reaches a maximum in the beginning of the diastolic phase. Finally, in a Lagrangian analysis, the temporal evolution of particle dispersion was studied. It shows that the dispersion is higher in the deceleration phase and in the beginning of the diastole, whereas in systole, it is smaller but non-negligible.     

Chemical Development of Intracellular Protein Heterodimerizers

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Highlights? Design of cell-permeable, SNAP-tag and HaloTag reactive, covalent dimerizers (HaXS) ? HaXS dimerizers force rapid intracellular dimerization of tagged proteins of interest ? In contrast to rapalogs, HaXS8 does not interfere with PI3K/mTOR signaling ? HaXS8 is compatible with multiplexed approaches using other CIDs     

Multi-walled carbon nanotubes as sorptive material for solventless in-tube microextraction (ITEX2)—a factorial design study

Multi-walled carbon nanotubes were evaluated as sorptive packing material for in-tube microextraction (ITEX2) in combination with GC-MS for the analysis of benzene, toluene, ethylbenzene, xylenes, and naphthalene in aqueous samples. For method development, a three-level full factorial design of experiment (DoE) was performed incorporating extraction temperature, number of extraction strokes, and extraction flow. The statistical analysis of method development showed that all considered extraction parameters significantly affected the extraction yield. Furthermore, it was shown that some factors significantly interacted with each other, which indicates the advantage of using DoE for method development. The thereby optimized ITEX2 protocol was validated regarding its linear dynamic range, method detection limit (MDL), and precision. The MDLs of investigated analytes ranged between 2 ng L^?1 for naphthalene and 11 ng L^?1 for p-xylene. The relatively low MDL obtained for naphthalene, despite its comparably low air–water partitioning, can be explained by its strong interaction with carbon nanotubes. All obtained MDLs are at least comparable to previous reports on microextraction techniques, emphasizing both the quality of ITEX2 and the highly promising sorbent characteristics of carbon nanotubes. Furthermore, the method was applied to three real samples, which demonstrated good recoveries of analytes from tap water, a bank filtrate, and an effluent from a wastewater treatment plant.

Aircraft noise: accounting for changes in air traffic with time of day

Aircraft noise contours are estimated using model calculations and, due to their impact on land use planning, they need to be highly accurate. During night time, not only the number and dominant types of aircraft may differ from daytime but also the flight paths flown may differ. To determine to which detail these variations in flight paths need to be considered, calculations were performed exemplarily for two airports using all available radar data over 1 year, taking into account their changes over the day. The results of this approach were compared with results of a simpler approach which does not consider such changes. While both calculations yielded similar results for the day and close to the airport, differences increased with distance as well as with the period of day (day相似文献