Analysis – Page 5
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Research
Gigantic database of building blocks will help artificial intelligence uncover new organocatalysts
Publicly available dataset containing thousands of structures could help chemists develop data-driven reaction optimisation methods for organic synthesis
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AI beats human experts when it comes to peptide design
Algorithm throws up some counter-intuitive structures in contest
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Controversy surrounds corrected chemical structures
Researchers used machine learning-powered NMR prediction to correct improbable structures – but some of their revisions have been challenged
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AI discovers the best general conditions yet for cross couplings, doubling yields
Algorithm works with robotic experimenter on tricky Suzuki–Miyaura reactions
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Mystery of speedy proton hopping in water unravelled
X-ray spectroscopy helps scientists understand how protons move in water
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Machine learning navigates vast materials space to discover new high-performance alloys
Neural net suggested unusual element combination to create better Invar alloys
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Counting charge on a single nanoparticle
Electron holography enables new insights into catalytic particles
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Amide library created at speed with machine learning and stopped-flow chemistry
Approach used 90% less starting material than continuous flow equivalent
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Benzene’s bond lengths corrected
Sophisticated spectroscopic method shows that previously reported values were out by several milliangstroms
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Crystal 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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‘Periodic table’ of hydrocarbons maps ‘magic’ molecules with exceptional stability
Computational chemists calculate the stability of hydrocarbons and design a map with potential predictive power
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Carbon dots help sniff out nanoplastics in the air
Electronic sensor developed that can detect airborne nanoplastics, including their types, amounts, and sizes
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Diamond capsules allow ambient analysis of high-pressure samples
Crystalline forms of argon and neon can now be analysed using techniques that would previously have been impossible
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Computational study says polonium can form hydrogen bonds
Bonds driven by relativistic effects, rather than electronegativity differences
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Controversy over ancient Chinese bronze chemistry
Study suggests bronze was made from alloys rather than pure metals, but experts remain unconvinced
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Time-resolved spectroscopy shines new light on migratory insertion mechanism
Using lasers to probe metal-centred reactions leads to new understanding of highly reactive catalytic intermediates
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Visualising sigma orbitals opens path to new understanding of surface chemistry
Photoemisssion orbital tomography extended beyond pi orbitals
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Rich chemistry revealed by tip microscopy pulses’ bond making and breaking
Using an STM, scientists have been able to precisely switch between three different molecules, opening the way to multiple selective transformations
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Perfectly planar stable silicon clusters with six contacts predicted
Hexacoordinated systems theorised to remain stable, even with protecting ligands
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Acoustic analysis is music to mechanochemical ears
A new technique uses soundwaves to monitor ball-milling reactions