First-principles kinetic modeling in heterogeneous catalysis: an industrial perspective on best-practice, gaps and needs

Electronic structure calculations have emerged as a key contributor in modern heterogeneous catalysis research, though their application in chemical reaction engineering remains largely limited to academia. This perspective aims at encouraging the judicious use of first-principles kinetic models in industrial settings based on a critical discussion of present-day best practices, identifying existing gaps, and defining where further progress is needed

Evaluation of a spring-powered captive bolt gun for killing kangaroo pouch young

Context: During commercial harvesting or non-commercial kangaroo culling programs, dependent young of shot females are required to be euthanased to prevent suffering and because they would be unlikely to survive. However, the current method for killing pouch young, namely a single, forceful blow to the base of the skull, is applied inconsistently by operators and perceived by the public to be inhumane. Aims: To determine whether an alternative method for killing pouch young, namely a spring-operated captive bolt gun, is effective at causing insensibility in kangaroo pouch young. Methods: Trials of spring-operated captive bolt guns were conducted first on the heads of 15 dead kangaroo young and then on 21 live pouch young during commercial harvesting. We assessed the effectiveness at causing insensibility in live animals and damage caused to specific brain areas. We also measured depth of bolt penetration and skull thickness. Performance characteristics (e.g. bolt velocity) of two types of spring-operated guns were also measured and compared with cartridge-powered devices. Key results: When tested on the heads of dead animals, the spring-operated captive bolt gun consistently produced a large entrance cavity and a well defined wound tract, which extended into the cerebrum, almost extending the full thickness of the brain, including the brainstem. When tested on live pouch young, the captive bolt gun caused immediate insensibility in only 13 of 21 animals. This 62% success rate is significantly below the 95% minimum acceptable threshold for captive bolt devices in domestic animal abattoirs. Failure to stun was related to bolt placement, but other factors such as bolt velocity, bolt diameter and skull properties such as thickness and hardness might have also contributed. Spring-operated captive bolt guns delivered 20 times less kinetic energy than did cartridge-powered devices. Conclusions: Spring-operated captive bolt guns cannot be recommended as an acceptable or humane method for stunning or killing kangaroo pouch young. Implications: Captive bolt guns have potential as a practical alternative to blunt head trauma for effective euthanasia and reducing animal (and observer) distress. However, operators must continue to use the existing prescribed killing methods until cartridge-powered captive bolt guns have been trialled as an alternative bolt propelling method. Additional keywords: animal welfare, blunt trauma, culling, euthanasia, humaneness, kangaroo harvesting

Patient-Specific Method of Generating Parametric Maps of Patlak K(i) without Blood Sampling or Metabolite Correction: A Feasibility Study.

Currently, kinetic analyses using dynamic positron emission tomography (PET) experience very limited use despite their potential for improving quantitative accuracy in several clinical and research applications. For targeted volume applications, such as radiation treatment planning, treatment monitoring, and cerebral metabolic studies, the key to implementation of these methods is the determination of an arterial input function, which can include time-consuming analysis of blood samples for metabolite correction. Targeted kinetic applications would become practical for the clinic if blood sampling and metabolite correction could be avoided. To this end, we developed a novel method (Patlak-P) of generating parametric maps that is identical to Patlak K(i) (within a global scalar multiple) but does not require the determination of the arterial input function or metabolite correction. In this initial study, we show that Patlak-P (a) mimics Patlak K(i) images in terms of visual assessment and target-to-background (TB) ratios of regions of elevated uptake, (b) has higher visual contrast and (generally) better image quality than SUV, and (c) may have an important role in improving radiotherapy planning, therapy monitoring, and neurometabolism studies

124-Color Super-resolution Imaging by Engineering DNA-PAINT Blinking Kinetics

Optical super-resolution techniques reach unprecedented spatial resolution down to a few nanometers. However, efficient multiplexing strategies for the simultaneous detection of hundreds of molecular species are still elusive. Here, we introduce an entirely new approach to multiplexed super-resolution microscopy by designing the blinking behavior of targets with engineered binding frequency and duration in DNA-PAINT. We assay this kinetic barcoding approach in silico and in vitro using DNA origami structures, show the applicability for multiplexed RNA and protein detection in cells, and finally experimentally demonstrate 124-plex super-resolution imaging within minutes.We thank Martin Spitaler and the imaging facility of the MPI of Biochemistry for confocal imaging support