Crystallography – Page 2
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ResearchMolecular movie captures DNA repair from start to finish
Study spans pico- to microsecond timescales to uncover enzymatic process
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ResearchNew insights into polyamorphism could influence how drugs are formulated
Findings suggest dihedral angle distribution might explain why polyamorphs have different physical properties
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FeatureReaching into the non-covalent toolbox
Alongside supramolecular stalwarts, budding bonding forms are vying to be valuable, finds Andy Extance
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ResearchCrystal structure predictions get real with accurate calculations that will aid pharma
Characterisation engine could help drug companies avoid costly mistakes like those that hit Aids drug ritonavir
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ResearchElusive crystals provide structural evidence of global aromaticity in a macrocyclic hydrocarbon
Reduced forms of [24]paracyclophanetetraene provide fresh understanding of redox-based aromaticity switching
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WebinarCO₂ storage, magic doors and machine learning
Learn how machine learning based simulations with Matlantis help rationalise long-time CO2 storage experimental results
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FeatureFifty years since the ferrocene furore
Only two of the discoverers of the sandwich compounds that revolutionised organometallic chemistry received the Nobel prize, leaving one very big name feeling left out. Mike Sutton traces the controversy
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ResearchFirst x-ray structure of radium compound gives glimpse of element’s coordination chemistry
Oak Ridge National Laboratory team determines the single crystal structure of a radium complex
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WebinarUsing crystallographic structures & data-driven solutions to advance drug design
The recording for this webinar is now available directly via the CCDC website – see below for details
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ResearchCrystal structure prediction tool a ‘significant and thought-provoking advance’
Algorithm needs just the chemical formula to find the ground state of a crystalline compound
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ResearchExtraordinary crystal structure displays abiotic foldamer with unprecedented complexity
Four aromatic oligoamide helix-turn-helix units assemble in organic solvent into an abiotic architecture with quaternary-like structure
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ResearchElusive pyridine-based chloronium structures revealed
Researchers complete set of halonium ions by isolating a reactive chloronium structure
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NewsUK national facility poised to expand use of state-of-the-art electron diffraction
Greater access to ED will allow characterisation of tiny crystals, deepening our understanding of everything from batteries and drugs to catalysts
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ResearchCrystal structure determination for sub-milligram sample sizes
Growing large enough single crystals becomes less of an issue thanks to a method that combines standard instruments and standard software
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WebinarEmpower your drug design & synthesis with vibrational circular dichroism (VCD)
Discover the advantage and benefits of VCD compared to other analytical techniques and learn how to develop a more efficient workflow
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OpinionSheldrick’s SHELX
From code on a Titan to becoming the titan of crystal structure determination
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News800 crystallography-related papers appear to stem from one paper mill
Preprint reports questionable images in papers that are all from authors based at Chinese hospitals
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ResearchPepto-Bismol compound’s structure unveiled after 120 years
Electron microscopy triumphed over x-ray crystallography as century-old structural puzzle around bismuth subsalicylate is finally solved
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OpinionLetters: March 2022
Readers produce a model view of June Lindsay’s work, and describe a creative use of parafilm