Computational Analysis of Glycerol Menthonide Using Spartan ’04
نویسندگان
چکیده
Glycerol menthonide has been reported in the literature and has been prepared by reaction of menthone with glycerol under acid catalysis. The menthonide was originally prepared as an additive to spearmint gum by a chemist at Wrigley’s Inc. No further chemical analysis of the menthonide has been reported in the literature. However, glycerol menthonide should be a mixture of up to 6 isomers. Spartan ‘04 was used to determine the heat of formation of each isomer in an attempt to model the reaction mixture. This information was then compared with GC/MS analysis of the product mixture. The isolation of one of the stereoisomers of glycerol menthonide is also reported.
منابع مشابه
[(2R,5R,6S,9R)-6-Isopropyl-9-methyl-1,4-dioxaspiro[4.5]decan-2-yl]methyl 4-bromobenzoate
The title compound, C(20)H(27)BrO(4), a 4-bromo-benzoyl derivative of a stereoisomer of glycerol menthonide, synthesized as part of a study of 3-carbon stereochemical moieties, crystallizes with two crystallographically independent mol-ecules in the asymmetric unit, the two mol-ecules differing only in one of the C-O-C-C torsion angles around the ester O atom [-106.5 (7) and 146.1 (6)°]. The tw...
متن کاملSpartan Gibbs Random Field Models for Geostatistical Applications∗
The inverse problem of determining the spatial dependence of random fields (inference of the spatial model) from experimental samples is a central issue in geostatistics. We propose a computationally efficient approach based on Spartan Gibbs random fields. Their probability density function depends on a small set of parameters that can be determined by matching sample constraints with correspon...
متن کامل300: Cultural Stereotypes and War against Barbarism
During the era of Bush administration and post-September 11th anti-terrorism discourse, the movie 300 was one of the best exemplar of a close relationship between Hollywood pop culture products and the neo-conservatives’ political discourse of nationalism. From my point of view, 300 is not an example of outstanding artistic films, but a film that more than any other film contains an Iranophobic...
متن کاملErratum: Spartan Gibbs Random Field Models for Geostatistical Applications
GEOSTATISTICAL APPLICATIONS Abstract: The inverse problem of determining the spatial dependence of random fields from an experimental sample is a central issue in Geostatistics. We propose a computationally efficient approach based on Spartan Gibbs random fields. Their probability density function is determined by a small set of parameters, which can be estimated by enforcing sample-based const...
متن کاملSpartan: A Distributed Array Framework with Smart Tiling
Application programmers in domains like machine learning, scientific computing, and computational biology are accustomed to using powerful, high productivity array languages such as MatLab, R and NumPy. Distributed array frameworks aim to scale array programs across machines. However, maximizing the locality of access to distributed arrays is an unsolved problem; such locality is critical for h...
متن کامل