CHIMIA
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Rotational-state-selected Carbon Astrochemistry
Get PDFThe addition of individual quanta of rotational excitation to a molecule has been shown to markedly change its reactivity by significantly modifying the intermolecular interactions. So far, it has only been possible to observe these rotational effects in a very limited number of systems due to lack of rotational selectivity in chemical reaction experiments. The recent development of rotationally controlled molecular beams now makes such investigations possible for a wide range of systems. This is particularly crucial in order to understand the chemistry occurring in the interstellar medium, such as exploring the formation of carbon-based astrochemical molecules and the emergence of molecular complexity in interstellar space from the reaction of small atomic and molecular fragments
Academia / Industry Collaborations towards the Functionalization of Aryl Azoles
Get PDFAryl azoles can be found in numerous active pharmaceutical ingredients (APIs). Milvexian is a Factor Xia inhibitor currently in phase III for the treatment of thrombotic events containing an ortho-substituted 1-aryl-1H-1,2,3-triazole moiety. During the process development of Milvexian, we assessed multiple approaches for the preparation of 4-chloro-1,2,3-triazole, intermediate 1. In this review article, we will detail how we initiated several academic collaborations to speed up the selection of the best synthesis for commercial manufacturing. Ultimately, those results not only helped us to achieve our goal but yielded general methodologies for the functionalization of azoles that extended even beyond our initial scope
Capturing the Chirality of Photoexcited States with Ultrafast Circular Dichroism
Get PDFChiral molecules exist in two forms, called enantiomers, which are mirror images of each other but non-superimposable. Even though enantiomers share most chemical and physical properties, they may differ greatly in their (bio-)chemical activities, which turns chirality into a key design feature for (bio-)chemical function. In this spirit, the incorporation of chiral structures into photochemical systems has emerged as a powerful strategy to control their functions. For example, uni-directional molecular motors, chiral photocatalysts, and chiral metal nanostructures permit new levels of stereocontrol over mechanical motion, energy transfer, and electric charge-carriers on the nanoscale. However, the direct characterization of the underlying chiral photoexcited states remains a formidable experimental challenge - especially in the native solution phase of many photochemical processes. Crucially, this requires analytical techniques that combine a high chiral sensitivity in solution with ultrafast time resolution to capture the excited state dynamics. This brief perspective article presents recent progress in the development of ultrafast chiral spectroscopy techniques that address this challenge
Excelzyme: A Swiss University-Industry Collaboration for Accelerated Biocatalyst Development
Get PDFExcelzyme, an enzyme engineering platform located at the Zurich University of Applied Sciences, is dedicated to accelerating the development of tailored biocatalysts for large-scale industrial applications. Leveraging automation and advanced computational techniques, including machine learning, efficient biocatalysts can be generated in short timeframes. Toward this goal, Excelzyme systematically selects suitable protein scaffolds as the foundation for constructing complex enzyme libraries, thereby enhancing sequence and structural biocatalyst diversity. Here, we describe applied workflows and technologies as well as an industrial case study that exemplifies the successful application of the workflow
A Baldwin-favored Cyclization Inspires the Development of Fluorogenic Polymethine Dyes for Bioimaging
Get PDFFluorescence imaging is an invaluable tool to study biological processes, and fluorogenic dyes are crucial to enhance cell permeability and target intracellular structures with high specificity. Polymethine dyes are vitally important fluorophores in single-molecule localization microscopy and in vivo imaging, but their use in live cells has been limited by high background fluorescence and low membrane permeability. Here, we present a general strategy to transform polymethine compounds into fluorogenic dyes by implementing a 5-exo-trig ring-closure. This method provides access to bright, fluorogenic polymethine dyes with emissions across the visible and near-infrared spectrum
Advances in Oxygen Isotope Analysis of Phosphate by Electrospray Orbitrap Mass Spectrometry for Studying the Microbial Metabolism of Microorganisms
Get PDFUnderstanding the impact of human activities on the metabolic state of soil and aquatic environments is of paramount importance to implement measures for maintaining ecosystem services. Variations of natural abundance 18O/16O ratios in phosphate have been proposed as proxies for the holistic assessment of metabolic activity given the crucial importance of phosphoryl transfer reactions in fundamental biological processes. However, instrumental and procedural limitations inherent to oxygen isotope analysis in phosphate and organophosphorus compounds have so far limited the stable isotope-based evaluation of metabolic processes. Here, we discuss how recent developments in Orbitrap high resolution mass spectrometry enable measurements of 18O/16O ratios in phosphate and outline the critical mass spectrometry parameters for accurate and precise analysis. Subsequently, we evaluate the types of 18O kinetic isotope effects of phosphoryl transfer reactions and illustrate how novel analytical approaches will give rise to an improved understanding of 18O/16O ratio variations from biochemical processes affecting the microbial phosphorus metabolism
