ACS Publications’ Post

Scientists use high pressure NMR spectroscopy to study structure of dynamic proteins A pressure of 3,000 bar is applied to the cold shock protein B of Bacillus subtilis in a small tube in the NMR spectroscopy laboratory at the University of Konstanz. This is roughly three times the water pressure at the deepest point of the ocean. The pressure is so intense that the highly dynamic protein shows structural features that would not be sufficiently visible under normal pressure.But why do scientists apply such high pressure, which does not occur anywhere else on our planet under natural conditions? The answer is: To study processes and properties that are too volatile to be observed under normal conditions. "This high pressure allows us to make states visible that actually do exist at 1 bar, but which we can only observe directly at 3,000 bar,

Discover Our Impacts A paper titled “A Click Chemistry‐Based Artificial Metallo‐Nuclease” was published last year in Angewandte Chemie by Prof. Andrew Kellett, Dr Alex Gibney, Dublin City University and co-workers in SSPC, Chalmers University of Technology, and the Syddansk Universitet - University of Southern Denmark. 📌The paper was highlighted on the journal cover and was identified as a “hot paper” due to the significant findings reported. The paper reports the development of a new molecular scissors (or artificial metallo-nuclease) that can cut duplex DNA. The DNA scissors is called TC-Thio and it binds with copper to become a powerful DNA damaging agent. ▶https://lnkd.in/e45DfEpM Science Foundation Ireland #SSPC15 #SSPCExpertise #dna #health #collaboration #chemistry

Ternary Complex-Templated Dynamic Combinatorial Chemistry for the Selection and Identification of Homo-PROTACs Dynamic Combinatorial Chemistry meets PROTAC screening: Stability of ternary complexes formed by PROTACs is shown to act as selection criterion in multi-protein templated dynamic combinatorial libraries. Reversible thiol-disulfide exchange chemistry allows rapid identification of novel VHL-targeting Homo-PROTACs from complex library mixtures. https://lnkd.in/gA-BFhxN

CASE was born in the 1960s as a method to uncover the structures of small organic molecules. Today, CASE systems have evolved to identify new and complex organic compounds, thanks to simultaneous advancements in computational chemistry and NMR experiments. Our own Dr. Mikhail E. Elyashberg dives into its progression in this special edition of Molecules: https://bit.ly/41ZRVjz

Alhamdulillah, I am delighted to share that one of our manuscripts has been published in the American Journal of Physical Chemistry B. This paper briefly explores the role of rotational water dynamics in developing low molecular weight osmolytes as protein stabilizers. I am proud to contribute to the advancement of knowledge in physical chemistry. A big thank you to everyone who has been part of this journey. Please check out the publication here: https://lnkd.in/d4KwXuuV #PhyscialChemistry #AcademicPublishing

Chemistry with Mondrian How about presenting chemical formulas and structures of molecules differently? Chris Kingsbury and Mathias Senge have come up with a general form similar to the early works of the artist Piet Mondrian (1872-1944). The Mondrian plot presented here is a simple tool for analyzing molecular symmetry, which can be used for structural discussion and display. https://lnkd.in/eVZh9FCk

The research of Joe Patterson and his collaborator Aoon Rizvi on "Liquid-Liquid Phase Separation Induced Auto-Confinement" was recently published in "Soft Matter". Their work demonstrates that block copolymers can self-assemble via auto-confinement induced by liquid-liquid phase separation (LLPS) during a solvent switch. These findings enhance our understanding of how LLPS influence the self-assembly of block #copolymers. Furthermore, this study underscores how LLPS precursors can govern the size and morphology of block copolymer #nanoparticles. Ultimately, these insights suggest the potential for investigating auto-confinement phenomena in other LLPS systems, including biological condensates. https://lnkd.in/gS6WcK3r

Our paper "Exploring the Role of Globular Domain Locations on an Intrinsically Disordered Region of p53: A Molecular Dynamics Investigation" has been published online in the Journal of Chemical Theory and Computation. Here, we present a simple way to study IDRs in a more natural context by restraining their conformational entropy by locking the end positions instead of treating them as freely moving chains. By successively moving the positions closer to each other, information is gained about the effect on the conformational ensemble, secondary structure, free energy landscapes, etc. #p53 #moleculardynamics #IDR #IDP https://lnkd.in/diydSzKi Henrik Vinther Sørensen

Flow chemistry with reaction monitoring is a hot topic at the moment. I am looking forward to learning more about flow analytics with bench top NMR Are you interested in innovative reaction monitoring techniques? Don't miss our upcoming webinar on May 9th at 3pm BST with the Royal Society of Chemistry. This interactive session will showcase how FlowNMR spectroscopy with the X-Pulse benchtop NMR spectrometer is revolutionising real-time reaction analysis. Our experts Asad Saib and Robin Blagg will share case studies across diverse applications like lithium extraction and organic synthesis. Learn how FlowNMR provides: real-time data for streamlined workflows, enhanced efficiency and adaptability for various reaction types. Register now using the link below: https://okt.to/bleYJP #NMRSpectroscopy #Spectroscopy #MagneticResonance

Join us for our next virtual chemistry lecture on Thursday, July 25, 2024, at 10:15 am (China Standard Time).     Single Atom Logic for Skeletal Editing  Prof. Mark Levin  Department of Chemistry,   The University of Chicago    Register for the webinar: https://lnkd.in/d-KAV_VG     Reactions which can manipulate the connectivity of the molecular skeleton are underexplored as tools for late-stage functionalization, in part because their implementation has been hindered by their often nonintuitive retrosynthetic logic. In this lecture, Prof. Mark Levin will cover selected transformations discovered in his laboratory which address this challenge, enabling single-atom changes through the insertion, deletion, and/or exchange of single heavy atoms (C, N, O, etc.).