Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
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Article Citation - WoS: 1Citation - Scopus: 1Investigating the Behavior of D-Glucose, D-Fructose, and D-Allulose in Aqueous Media by Molecular Dynamics Simulations(Elsevier Sci Ltd, 2025) Bugday, Zinnur Yagmur; Bayramoglu, Beste; Oztop, Halil MecitIsomeric monosaccharides may have different hydration behaviors, leading to distinct physicochemical properties in solutions. In this work, the aqueous behavior, structure, and hydration properties of D-allulose, Dglucose, and D-fructose were investigated as a function of concentration by molecular dynamics simulations. This is the first computational study investigating D-allulose compared to its two isomers. The dynamics were analyzed through self-diffusion coefficients; hydration was characterized by hydrogen bond (HB) analyses. Radial distribution functions were used to probe water structuring around sugar oxygens. Results show the hydration number and the fraction of bound water in solution were the highest for glucose, followed by fructose and allulose. The C3 epimerization of fructose into allulose highly promotes the allulose pyranoses to form intramolecular HBs, significantly limiting their water-holding capacity. This may possibly explain the favorability of furanose forms over pyranose forms in aqueous allulose solutions, opposing glucose and fructose in solution.Article Citation - WoS: 8Citation - Scopus: 12A Microstructural Study of Surface Hydration on a Magnesia Refractory(Elsevier Ltd., 2010) Sütçü, Mücahit; Akkurt, Sedat; Okur, SalihHydration of the surface of a periclase refractory was studied in a controlled humidity atmosphere (92% relative humidity) at 26 °C for up to 92 h. The effect of humidity on the specimens was examined using a scanning probe microscope (SPM) and a scanning electron microscope (SEM), which showed that the degree of hydration was noticeably less in the intergranular bond phase compared to the periclase crystallites. The SPM study indicated significant growth of hydrates on the refractory grain surface. Growth rate of the hydrate layer was least on (0 0 1) orientation, higher for the (1 0 3) orientation, and highest for the (1 0 1) oriented grain. The rate of loss of refractory phases by hydration on a (1 0 1) oriented grain was 4.53 nm/h. This material loss may be insignificant for a bulk brick, but is a serious threat for a magnesia castable consisting of fine magnesia powder due to large surface area exposed to humidity or water itself. © 2010 Elsevier Ltd and Techna Group S.r.l. All rights reserved.