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  • compounds
  • His other contributions pertain to the structure and interactions of non-steroidal anti-inflammatory analgesics, ionophores and related compounds, side chain conformation in proteins and additional binding sites in lysozyme. (wikipedia.org)
  • Modern high field NMR instruments used for carbohydrate samples, typically 500 MHz or higher, are able to run a suite of 1D, 2D, and 3D experiments to determine a structure of carbohydrate compounds. (wikipedia.org)
  • molecules
  • Conformations adopted by saccharide molecules in response to the physical forces arising from their bonding and nonbonding electrons, modified by the molecule's interactions with its aqueous or other solvent environment, strongly influence their reactivity with and recognition by other molecules (processes which in turn can alter conformation). (wikipedia.org)
  • While simple molecules can be described by these types of conformations, more complex molecules require the use of the Klyne-Prelog system to describe the different conformers. (wikipedia.org)
  • Typical 13C NMR chemical shifts of carbohydrate ring carbons are 60-110 ppm In the case of simple mono- and oligosaccharide molecules, all proton signals are typically separated from one another (usually at 500 MHz or better NMR instruments) and can be assigned using 1D NMR spectrum only. (wikipedia.org)
  • moiety
  • Investigations have shown that changes in the lipid moiety can affect verotoxin binding and that chemical modification can permit recognition of internal Galα1-4Gal under certain conditions, suggesting a degree of flexibility in the carbohydrate conformation. (go.jp)
  • The major and minor components also contain a third carbohydrate moiety - β-D-glucosamine - and differ only by the length and conformation of a side-chain attached to it. (wikipedia.org)
  • hydrogen
  • Since there are two possible chair conformation steric and stereoelectronic effects such as the anomeric effect, 1,3 diaxial interactions, dipoles and intramolecular hydrogen bonding must be taken into consideration when looking at relative energies. (wikipedia.org)
  • In-electrospray ionization (ESI) hydrogen/deuterium exchange-mass spectrometry (HDX-MS) is a promising technique for studying carbohydrate conformations since rapidly exchanging functional groups, e.g., hydroxyls, can be labeled on the timeframe of ESI. (springer.com)
  • dihedral
  • Relative conformation energy diagram of butane as a function of dihedral angle. (wikipedia.org)
  • The three eclipsed conformations with dihedral angles of 0°, 120°, and 240° are not considered to be conformers, but are instead transition states between two conformers. (wikipedia.org)
  • Carbohydrate NMR takes advantage of these dihedral angles to determine the configuration of each of the hydroxyl groups around the ring. (wikipedia.org)
  • interactions
  • Conformations with 1,3 diaxial interactions are usually disfavored due to steric congestion and can shift equilibrium to the other chair form (example: 1C4 to 4C1). (wikipedia.org)
  • Many of these interactions involved carbohydrates found at the cell surface, as part of a membrane glycoprotein or glycolipid. (wikipedia.org)
  • structure
  • A further refinement to the conformation of pyranose rings came when Sponsler and Dore (1926) realized that Sachse's mathematical treatment of six-membered rings could be applied to their X-ray structure of cellulose. (wikipedia.org)
  • All teicoplanins share a same glycopeptide core, termed teicoplanin A3-1 - a fused ring structure to which two carbohydrates (mannose and N-acetylglucosamine) are attached. (wikipedia.org)
  • energies
  • Note that the two eclipsed conformations have different energies: at 0° the two methyl groups are eclipsed, resulting in higher energy (≈ 5 kcal/mol) than at 120°, where the methyl groups are eclipsed with hydrogens (≈ 3.5 kcal/mol). (wikipedia.org)
  • electrons
  • In the (Z) conformation the lone pair of electrons in the alpha oxygen can donate into the neighboring σ* C-O orbital. (wikipedia.org)
  • If the lone pairs of electrons on the oxygens at the anomeric center of 2-methoxypyran are shown, then a brief examination of the conformations of the anomers reveal that the β-anomer always has at least one pair of eclipsing (coplanar 1,3-interacting) lone pairs, this n-n repulsion is a high energy situation. (wikipedia.org)
  • parameters
  • In total, this work illustrates how the fundamental processes of ESI alter the magnitude of HDX for carbohydrates and suggest parameters that should be considered and/or optimized prior to performing experiments with this in-ESI HDX technique. (springer.com)
  • Relaxivities, nuclear relaxation rates, line shape and other parameters were reported useful in structural studies of carbohydrates. (wikipedia.org)
  • includes
  • Carbohydrate-binding module family 4 (CBM4) includes the two cellulose-binding domains, CBD(N1) and CBD(N2), arranged in tandem at the N terminus of the 1,4-beta-glucanase, CenC, from Cellulomonas fimi. (wikipedia.org)
  • found
  • He found a molten globule monomeric intermediate during the folding of peanut agglutinin that retained its carbohydrate binding ability - establishing 'wet' molten globule as an "on pathway" folding intermediate and characterized other early intermediates. (wikipedia.org)
  • Carbohydrate-binding module family 3 (CBM3) is involved in cellulose binding and is found associated with a wide range of bacterial glycosyl hydrolases. (wikipedia.org)
  • Carbohydrate-binding module family 11 (CBM11) is found in a number of bacterial cellulases. (wikipedia.org)
  • total
  • This puckering leads to a total of 38 distinct basic pyranose conformations: 2 chairs, 6 boats, 6 skew-boats, 12 half-chairs, and 12 envelopes. (wikipedia.org)