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To ensure that the enhanced rates of reactivation of V146H/L363E were not artifacts of altered substrate binding, we determined the bimolecular rates of inhibition (ki) of the mutant protein with racemic cyclosarin or stereoisomers of OP model compounds similar in structure to cyclosarin, and compared those rates to wt enzyme.
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Comparison of the physical properties of the polymers with those of the model compounds suggested similar extent of conjugation through 1,6- and 1,8-position of pyrene.
Radical cations of acids 4 had not previously been characterised by EPR spectroscopy, but the g-factor and hfs were very similar to those reported for the radical cations of dimethoxybenzene.[ 67– 70] The aromatic core of this model compound is similar to that of acid 4 d.
In general, we expect the performance of our model to be better for compounds similar to those in the training set, apart from obvious outliers.
Compared with low-mulecular weight model compound, PTX has similar UV vis absorption and weaker fluorescence emission, and some radicals are trapped in the macromolecular coil cage.
Because use of authentic nerve agents is strictly regulated, nerve agent model compounds that have chemical and functional properties similar to those of authentic nerve agents were used.
Model compounds studied contained functional groups or segments that were similar to those in segmented polyurethanes and polyureas.
The copolymers exhibit polymerization rates and quantum yields similar to those of the low molecular weight model compounds.
Similar results were noted for a related series of oligomeric model compounds that were specifically designed to mimic local monomer sequences present within the larger polyester structures.
A similar labelling method was successful with all reducing sugars tested as model compounds (neutral and acidic; mono- and oligo-saccharides).
Our results demonstrate that for different compounds with similar MOT, the likely toxicologic end point can be inferred from gene expression profiles using a database of model compounds as a training set.
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