منابع مشابه
Is There a Nitroalkane Anomaly?
The abnormal Brfnsted slopes observed for nitroalkanes are interpreted as a variation in the work terms, which is caused by a variation in hydrogen bond strengths with the free energy for proton transfer, rather than as an anomaly in the proton-transfer stage itself.
متن کاملDifferential quantum tunneling contributions in nitroalkane oxidase catalyzed and the uncatalyzed proton transfer reaction.
The proton transfer reaction between the substrate nitroethane and Asp-402 catalyzed by nitroalkane oxidase and the uncatalyzed process in water have been investigated using a path-integral free-energy perturbation method. Although the dominating effect in rate acceleration by the enzyme is the lowering of the quasiclassical free energy barrier, nuclear quantum effects also contribute to cataly...
متن کاملSolvent polarization and kinetic isotope effects in nitroethane deprotonation and implications to the nitroalkane oxidase reaction.
We have carried out a mixed molecular dynamics and centroid path integral simulation using a combined quantum mechanical and molecular mechanical (QM/MM) potential to study the anomalous Brønsted relationship between rates and equilibria for deprotonation of nitroalkanes in water, which is known as the nitroalkane anomaly. The deprotonation process is catalyzed by nitroalkane oxidase. Our resul...
متن کامل3D Gabor Based Hyperspectral Anomaly Detection
Hyperspectral anomaly detection is one of the main challenging topics in both military and civilian fields. The spectral information contained in a hyperspectral cube provides a high ability for anomaly detection. In addition, the costly spatial information of adjacent pixels such as texture can also improve the discrimination between anomalous targets and background. Most studies miss the wort...
متن کاملChiral proton catalysis of secondary nitroalkane additions to azomethine: synthesis of a potent GlyT1 inhibitor.
The first enantioselective synthesis of a potent GlyT1 inhibitor is described. A 3-nitroazetidine donor is used in an enantioselective aza-Henry reaction catalyzed by a bis(amidine)-triflic acid salt organocatalyst, delivering the key intermediate with 92% ee. This adduct is reductively denitrated and converted to the target through a short sequence, thereby allowing assignment of the absolute ...
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ژورنال
عنوان ژورنال: Canadian Journal of Chemistry
سال: 1974
ISSN: 0008-4042,1480-3291
DOI: 10.1139/v74-270