PubMed Health⌕ Search
Home/Archive/PubMed

PubMed · 14529512

Recent trends in carbohydrate modeling.

Jane Dannow Dyekjaer·Kjeld Rasmussen
View original source ↗Export metadata ↓

Abstract

The exploding activities in modeling of carbohydrates during the past few years is reviewed with emphasis on advances in improving force fields, coupling of NMR measurements with molecular dynamics simulations, direct calculation of thermodynamic properties, application of quantum chemical methods on a large scale, and web-access to modeling.

Explore related subjects

CarbohydratesChemical PhenomenaChemistry, PhysicalMagnetic Resonance SpectroscopyMass SpectrometryModels, ChemicalQuantum TheoryThermodynamicsJournal ArticleReview

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Jane Dannow Dyekjaer, Kjeld Rasmussen. 2003. Recent trends in carbohydrate modeling.. https://doi.org/10.2174/1389557033487728

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related citations

PubMed2007

Enzyme enhanced solid-state fermentation of kenaf core fiber for storage and pretreatment.

Kenaf is an annual fiber crop adaptable to a wide range of climates and soil types. This study investigated the use of kenaf core fiber as a feedstock for enzyme-enhanced fermentation. Triplicate kenaf core fiber samples were treated with enzymes having cellulase:hemicellulase activity ratios of 0:1, 0.015:1, 0.45:1, and 2.54:1 at a rate of 5010 IU/kg dry matter hemicellulase activity, vacuum-sealed, and incubated at 37 degrees C for 21 d. Samples were analyzed for pH, water soluble carbohydrates, organic acids, and hemicellulose and cellulose concentrations. All treatments produced a pH less than 4.0, which is sufficient for stable storage. Treatments with 2.54:1 and 0.45:1 produced the highest water soluble carbohydrate and lactic acid concentrations. Enzymes with no or low cellulase activity produced results similar to the control. Utilizing enzyme mixtures with high cellulase activity is an effective pretreatment method for ensiled kenaf core fiber.

Carbohydrates↗
PubMed2007

Amyloglucosidase-catalyzed synthesis of eugenyl and curcuminyl glycosides.

Glycosylation of the phenolic hydroxyl group of the phenyl propanoid systems, eugenol 1 and curcumin 2, using an amyloglucosidase from Rhizopus and a beta-glucosidase from sweet almonds together with carbohydrates (D-glucose 3, D-mannose 4, maltose 5, sucrose 6 and D-mannitol 7) in di-isopropyl ether produced glycosides at 7-52% yields in 72 h. Spectral studies indicated that the reaction occurred between the phenolic OH groups and C-1 and/or 6-O-groups of the carbohydrates with curcumin exhibiting bis glycosylation.

Carbohydrates↗
PubMed2007

Crystal structure and photochemical behavior in solution of the 3'-N-sulfamate analogue of thymidylyl(3'-5')thymidine.

The 3'-N-sulfamate analogue of thymidylyl(3'-5')thymidine (TnsoT, 1) exhibits a preference for a C3'-endo conformation in the solution and solid states. Its photochemical behavior in solution is compared to that of its natural counterpart, thymidylyl(3'-5')thymidine (TpT, 2), to get further insight into the significance of the C3'-endo conformation on the photoproduct formation at the single-stranded dinucleotide level. Irradiation at 254 nm of 1 led to the same type of photoproducts as observed with 2. However, 1 was significantly more photoreactive than 2, and accordingly, the initial rate of photoproduct formation was enhanced in accordance with its propensity to base stack compared to 2. The corresponding quantum yields were determined and showed that the enhancement factor (1 compared to 2) is moderate for the cyclobutane pyrimidine dimer (CPD) (1.26) and much higher for the (6-4) photoproduct (1.8). These data strongly suggest that the CPD and (6-4) photoproduct arise from distinct minor stacked conformations.

Carbohydrates↗