Analysis – Page 13
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Research
Database offers another way to search for drugs – by activity not structure
Dataset offers new way for biomedical researchers to identify potential drug candidates
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Machine learning concocts carbon dioxide conversion catalyst
Computation guides experiments towards a de-alloyed copper–aluminium catalyst
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Amazing slow motion video catches hydrogen flames going fractal
The clean fuel can combust with potentially devastating beauty in narrow gaps when mixed with air
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Research
Nanodroplet encapsulation technique crystallises the ‘uncrystallisable’
High-throughput method that uses mere micrograms of small molecule samples could ease frustration for crystallographers
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First glimpse caught of how a molecule changes when it absorbs light
X-rays enable direct observation of the initial step of a light-driven reaction
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Research
Sugar shack test set to flip procedure for maple syrup quality control
Plasmonic tongue sensor checks maple syrup flavour in minutes
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Evidence that NMR chemical shifts depend on magnetic field strength
Predictions from 1970 finally confirmed
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Palladium catalyst voyage prompts carbon–carbon bond formation rethink
Suzuki–Miyaura cross-coupling catalyst atoms leach away but then return to their supports
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Research
Heatmap software shows location and extent of strain in cyclic molecules
Visual bridge between physical and organic chemistry
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Quantum chemistry simulations offers beguiling possibility of ‘solving chemistry’
Academics and tech giants are using neural networks to represent electronic behaviour
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Algorithm can map scores of possible chemical transformations for any set of reactants
New tool could help scientists to control the properties of target molecules by simply switching the reaction while using the same starting materials
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Serendipitous experiment on xenon complex reveals insights into rare gas interaction
Experiment and theory combo gives benchmark for predicting non-covalent complexes
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Program that automatically interprets NMR spectra is boon for structure elucidation
Raw NMR data takes 60 seconds, rather than eight hours, to go from spectrometer to structure
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Structural studies offer glimpse of how coronavirus initiates human cell invasion
Researchers studying virus receptor-binding domains suggest virus could have passed directly from bats to humans
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Hydrogen bonds are single atom nickel’s secret for carbon dioxide reduction
Computational calculations show that hydrogen atoms and charge capacity are behind nickel’s high activity and selectivity in electrochemical carbon dioxide reduction
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Research
‘Liquid biopsy’ blood test accurately spots cancer by detecting DNA methylation
Power of AI harnessed to identify 50 different cancers before symptoms have even begun to emerge
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Research
DNA instructions pack proteins into unique crystal structures
Process could aid discovery of materials that exploit specific protein functions, such as drug molecules or biocatalysts
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Research
Whiskey webs could snare counterfeiters
Unique patterns formed by whiskey residues could aid investigations into imitation liquors
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Structure-based AI tool can predict wide range of very different reactions
Molecular properties, enantioselectivities, yields and relative conversion can all be modelled by the same program
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Early warning signals in chemical system akin to those of stock markets and ecosystems
Prior to collapse, critical slowing down observed in oscillating chemical system