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Machine-learning-assisted materials discovery using failed experiments
TLDR
We use machine-learning algorithms trained on reaction data to predict reaction outcomes for the crystallization of templated vanadium selenites. Expand
Dimethylthioarsinic anhydride: a standard for arsenic speciation.
Dimethylthioarsinic acid (DMTA(V)) has recently been identified in biological, dietary and environmental matrices. The relevance of this compound to the toxicity of arsenic in humans is unknown andExpand
p-Nitrophenyl isocyanide.
Achiral p-nitrophenyl isocyanide, C(7)H(4)N(2)O(2), crystallizes in the orthorhombic chiral space group P2(1)2(1)2(1). Attractive intermolecular interactions between the nitro O atoms and bothExpand
Mechanized azobenzene-functionalized zirconium metal-organic framework for on-command cargo release
A simple strategy to construct a stimuli-responsive mechanized zirconium metal-organic framework for on-command cargo release. Stimuli-responsive metal-organic frameworks (MOFs) have gainedExpand
Inhibition of carboxylesterases by benzil (diphenylethane-1,2-dione) and heterocyclic analogues is dependent upon the aromaticity of the ring and the flexibility of the dione moiety.
Benzil has been identified as a potent selective inhibitor of carboxylesterases (CEs). Essential components of the molecule required for inhibitory activity include the dione moiety and the benzeneExpand
Near-infrared emitting ytterbium metal-organic frameworks with tunable excitation properties.
The design of metal-organic frameworks (MOFs) incorporating near-infrared emitting ytterbium cations and organic sensitizers allows for the preparation of new materials with tunable and enhancedExpand
Convenient detection of Pd(II) by a metal-organic framework with sulfur and olefin functions.
A highly specific, distinct color change in the crystals of a metal-organic framework with pendant allyl thioether units in response to Pd species was discovered. The color change (from light yellowExpand
Syntheses, structures, modification, and optical properties of meso-tetraaryl-2,3-dimethoxychlorin, and two isomeric meso-tetraaryl-2,3,12,13-tetrahydroxybacteriochlorins.
The refined syntheses, modification, and first X-ray structural characterization of meso-tetraarylporphyrin-derived beta-tetraolbacteriochlorins are described. These investigations assign theExpand
meso-arylporpholactones and their reduction products.
The rational syntheses of meso-tetraaryl-3-oxo-2-oxaporphyrins 5, known as porpholactones, via MnO(4)(-)-mediated oxidations of the corresponding meso-tetraaryl-2,3-dihydroxychlorins (7) is detailed.Expand
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