The crystal and molecular structure of 4-O-β-D-glucopyranosyl-D-glucitol

Gaykema, W. P. J.; Kanters, J. A.

doi:10.1107/s0567740879005781

Cited by 13 publications

(3 citation statements)

References 7 publications

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“…Graphene and β-Ni(OH) 2 initial lattice parameters and atom positions were taken from the literature. 47 Both structures are hexagonal, and therefore, the structures were compatible to create a coincided unit cell. The "a" and "b" axes at the intralayer plane were taken as an average magnitude of the basic unit cells, and after DFT relaxation, we got a = 2.67…”

Section: ■ Methodsmentioning

confidence: 99%

Controlling Water Oxidation Catalysis through Interlayer Arrangements and Vacancies toward Producing Clean Hydrogen

Yohanan

Toroker

2023

J. Phys. Chem. C

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Hydrogen fuel is one of the most promising, renewable, and carbon-free alternatives to contaminating fossil fuels that are being used to date. Producing hydrogen by water splitting may not be efficient in some catalysts mainly due to the high overpotential that exists in forming oxygen, a half-reaction that occurs on the anode where water molecules are being oxidized. One of the best catalysts for the oxygen evolution reaction (OER) with a low overpotential is a unique two-dimensional bilayer system composed of monolayers of defected graphene and Fe-doped β-Ni(OH)2. Here, we display by density functional theory how carbon vacancies and possible mechanical changes including sliding and twisting between layers of graphene//β-NiOOH affect the OER overpotential. Our results show that larger sliding energy between layers at an optimal concentration of carbon vacancies indicates better adhesion and electron transfer between the layers that consequently lowers the OER overpotential. This study contributes to understanding that finding improved two-dimensional catalysts for green hydrogen production could be achieved by designing interfaces with greater bonding and that sliding energy between the layers may serve as a control handle for engineering better catalysts.

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Section: ■ Methodsmentioning

confidence: 99%

Controlling Water Oxidation Catalysis through Interlayer Arrangements and Vacancies toward Producing Clean Hydrogen

Yohanan

Toroker

2023

J. Phys. Chem. C

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“…Table 2 (15) 1.429 (3) (1) bonds (Jeffrey & Kim, 1970). This MAA conformation was also found in the A form of D-glucitol (Park, Jeffrey & Hamilton, 1971), in the D-glucitol--pyridine complex (Kim, Jeffrey & Rosenstein, 1971) and in isomaltitol (GG2) (Lichtenthaler & Lindner, 1981), whereas cellobiotol (GG1) (Gaykema & Kanters, 1979) (1) x, y, z; (2) 21 + x, ~ -y, -z; (3) -x, ~ + y, ½ -z; (4) 21 -x, -y, ½ +'z. The symmetry operation 555.1 is assigned to the donor OH groups.…”

Section: Minimummentioning

confidence: 98%

“…So far the structures of five members of this class have been reported. reported the structure of 4-O-fl-o-galactopyranosyl-L-rhamnitol (GR), Gaykema & Kanters (1979) that of 4-O-fl-oglucopyranosyl-D-glucitol (cellobiotol, GG1), Lindner & Lichtenthaler (1981) that of 1-O-a-oglucopyranosyl-D-mannitol (GM), Lichtenthaler & Lindner (1981) that of GG2) and Ohno, Hirao & Kido (1982) that of 4-O-a-a-glucopyranosyl-D-glucitol (maltitol, GG3). The growing interest in this type of compound is directed towards a better understanding of the influence of the pyranoside moiety on the conformation of the alditol chain and more recently at tracing the relationship between conformation and * To whom correspondence should be addressed.…”

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Structure of lactitol (4-O-β-D-galactopyranosyl-D-glucitol) monohydrate: an artificial sweetener

Kanters¹,

Schouten²,

Bommel³

1990

Acta Crystallogr C

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The Preferred Conformations of Glycosylalditols

Lichtenthaler

Lindner

1981

Liebigs Ann. Chem.

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Crystal structure analysis shows 6-O-(ff-D-glucopyraiosyl)-D-glucitol (isomaltitol 1) to have a bent glucitol chain linked to glucose in normal 4Cl-chair form, the middle section forming a planar zigzag chain that extends into the pyranoid ring. Comparative assessment of the conformational features of 1, its D-tnannitOl analogue 2, and of some (1 4 4)-linked analogues allows -in combination with Jeffrey's alditol rules and the exo-anomeric effect principles -to predict with significant confidence the preferred conformations of glycosylalditols in general. Glycosylalditols, a sizable, long-known group of disaccharide-derived sugar alcohols'), have recently attracted considerable interest due to the high potential of isomaltitol [6-O-(cc-D-glucopyranosyl)-D-glucitol (l)] and its D-mannitol analogue 2 as non-cariogenic", l~w-nutritive~) sugar substitutes with about half the sweetness of sucrose4,'). The appeal inherent in such compounds raised questions as to structuresweetness relationships, which may be assessed in terms of the presently available, mostly contentious concepts after uncovering their conformational features. However, in contrast to the opulent con formational information on pyranoid sugars 7,8) and on acyclic sugar chains7x9), there appears to be an exceedingly scarce knowledge on systems, in which both of these structural features are combined. This is mainly due to highly complex NMR spectra of glycosylalditols -l3C-NMR and 270 MHz 'H-NMR spectra of 1 and 2, e.g., failed to provide any relevant conformational information") -thus necessitating crystal structure analyses, which in the case of (1 + 1)-or (1 + 6)-linked glycosylalditols have only been performed with 2"). Subject of this paper is the X-ray crystallographic determination of the conformation of 1 and a comparative assessment of the molecular geometries of 1 -4, as well as those of (1 -+ 4)-linked analogues, allowing elaboration of the principles that govern their basic conformational features. Bevorzugte Konformationen von Glycosylalditen

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The crystal and molecular structure of 4-O-β-D-glucopyranosyl-D-glucitol

Cited by 13 publications

References 7 publications

Controlling Water Oxidation Catalysis through Interlayer Arrangements and Vacancies toward Producing Clean Hydrogen

Controlling Water Oxidation Catalysis through Interlayer Arrangements and Vacancies toward Producing Clean Hydrogen

Structure of lactitol (4-O-β-D-galactopyranosyl-D-glucitol) monohydrate: an artificial sweetener

The Preferred Conformations of Glycosylalditols

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