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High-Performance Data Acquisition for Fourier Transform Mass Spectrometry
Full text linkHigh-performance data acquisition and processing (DAQ) systems are characterized by their ability to capture, process, and transmit data with high speed, precision, and efficiency. Among commercial solutions for Fourier transform mass spectrometry (FTMS), the FTMS Boosters developed by Spectroswiss stand out. These systems enhance the capabilities of FTMS platforms, such as Orbitrap and ion cyclotron resonance (ICR) instruments, by improving mass resolution, sensitivity, and data handling. This review highlights the impact of FTMS Boosters across six key applications: mass spectrometry imaging, charge detection mass spectrometry (CDMS) and charge determination analysis (CHARDA), biopharmaceutical analysis, isotope ratio and trace analyses, super-resolution mass spectrometry, and complex mixture analysis. By advancing FTMS capabilities, FTMS Boosters not only elevate performance but also extend the operational lifespan of legacy FTMS systems, offering a sustainable and cost-effective path to improved MS functionality. As FTMS technologies advance with an increasing focus on acquiring and processing big data, FTMS Boosters, and other high-performance DAQ systems are set to become indispensable in addressing the growing demands of data-intensive scientific research and applications
Metal Oxides of Group 4: General Insights and the Synthesis of ZrO2/HfO2 and ZrO2:Eu/ZrO2 Core/Shell Nanocrystals
Full text linkMetal oxide nanocrystals, like ZrO2 and HfO2, serve as hosts for optically active lanthanide ions. However, synthesizing colloidally stable nanocrystals with complex architectures remains challenging. We have pioneered the synthesis of metal oxide core/shell nanocrystals, where HfO2 epitaxially grows onto ZrO2. The beneficial effect of the shell on the optical properties is demonstrated by investigating the photoluminescence of ZrO2:Eu and of ZrO2:Eu/ZrO2 after growing a protective zirconia shell on it.[1
Reversible Covalent Reactions of Aldehydes and Salicylaldehydes Using a Lysine-Model Substrate
Full text linkCovalent modification of lysine residues has gained significant attention due to its potential application in drug development and chemical biology. Lysine is an essential amino acid, abundant in proteins, and plays a critical role in many biological processes. In this study, we investigated aldehydes for imine-based chemistries and their reactivity profiles using a lysine-surrogate. By monitoring reactions of various aldehydes and salicylaldehydes over time, we determined dissociation constants (KD) for each warhead, reflecting the binding affinity towards the surrogate substrate. Strikingly, our data revealed remarkable differences in affinity depending on the substitution of the warheads. Additionally, we analyzed the kinetic profile of selected aldehydes and salicylaldehydes, which revealed significant disparity in their reaction kinetics. Aldehydes reacted quickly, reaching equilibrium rapidly, whereas salicylaldehydes exhibited considerably slower reaction times, in some cases requiring several hours to reach equilibrium. These differences emphasize how the nature of the warhead structure influences the kinetics of covalent binding to lysine residues. Overall, our study provides valuable insights into the application of reversible covalency to target lysines with reactive warheads that can further inspire development of innovative chemical modifications for drug discovery and chemical biology
Biotransformations at Syngenta: A Focused Perspective on Metabolites and Natural Products
Full text linkIn this article we present our perspective on how biotransformations can contribute to key sustainability challenges faced by the agrochemical industry. We focus on two key areas where biotransformations have enabled research breakthroughs, the preparative synthesis of metabolite standards and natural products. Increasingly stringent regulatory requirements have rendered early metabolite identification and production an expanding activity to progress an active ingredient to the market. We present a collaborative project on unspecific peroxygenases for selective oxidation of pyrethroid-related compounds, illustrating future directions in research for the production of metabolites. Natural products provide an opportunity to explore a vast chemical space and to have an improved sustainability profile. Nevertheless, their fermentation at large scale and low cost is still challenging, and we present strategies aiming at increasing the fermentation titre and batch purity
The openBIS Digital Platform for Instrumentation and Data Workflow in the Analytical Laboratory
Full text linkThe management of scientific data plays a key role in all research areas and has increased in importance. Providing researchers with customizable data management tools is crucial for effectively managing data according to the FAIR principles. These principles have been defined by Wilkinson et al. in 2016, which describe how scientific data should be managed.[1] To support the specific needs of researchers at Empa, openBIS[2] was chosen as a FAIR compliant data management platform. OpenBIS is an Electronic Laboratory Notebook (ELN) and Laboratory Information Management System (LIMS) developed at ETH. The commissioning of this platform for the case of an analytical chemistry lab presented multiple challenges. In this paper, solutions to adapt openBIS as a digital platform to integrate the laboratory data workflow in chemical analysis and for spectroscopy instruments are presented. Two laboratory projects as case studies are described, consisting of a data pipeline and a complex dashboard for data collection, visualization and interaction. These examples show a successful integration of the data management platform in accordance with the FAIR data guidelines along with maximizing efficiency for laboratory personnel