Mechanistic Insights into the Crystal Habit of d-Xylose in the Presence of Solvents and Additives

Abstract

D-Xylose has wide applications in industries such as food, pharmaceuticals, and energy and chemical engineering. Understanding its crystal habit and particle size is important for its further application. In this study, molecular dynamics simulations were used to explore how different solvents and additives affect the crystal habit of D-xylose. By considering surface properties and calculating diffusion coefficients, the interactions and distribution of electrostatic potentials were analyzed. The results showed that solvents including DMSO, methanol, and DMF had varying diffusion coefficients on crystal surfaces. Solvent polarity influenced hydrogen bonding distance, affecting crystal growth rates. Except for Tween 80, the increase in additive concentration was favorable in reducing the aspect ratio. This study demonstrates the potential of the atomic environment model to investigate sugar crystal habits and provides insights into controlling the aspect ratio of D-xylose with additive. These findings pave the way for future research on D-xylose crystals with smaller aspect ratios.

Improving Powder Performances of d-Ribose through Spherulitic Growth

“…We believe that it is due to the fact that the polarity of the solvent affects the strength of the hydrogen bonding between the solvent and D-RIB crystals (which influences the rate of diffusion of the D-RIB molecules in solution to the crystal surfaces), thus affecting the growth rate of D-RIB crystals at different crystal surfaces. This eventually leads to differences in the morphology of D-RIB spherical crystal aggregates, which is in agreement with the findings of Zhao et al…”

“…So, they are widely used in food and medicine. , However, most of the functional sugar crystals’ morphologies are needles and flakes, resulting in low flowability and tap density, and they are prone to caking. , Previously, we found that homologous impurities may have a great influence on the nucleation and growth of functional sugar so as to obtain favorable powder properties, such as high tap density and good flowability. , Also, DeJong and Hartel explored the effect of sorbitol crystallization behavior using different concentrations of additives (mannitol, maltitol, and glycerol) . Zhao et al used molecular dynamics simulations to explore the effects of different solvents and additives on the crystalline habit of d -xylose, which provided insights into controlling the length-to-diameter ratio of d -xylose by additives …”

“…8 Zhao et al used molecular dynamics simulations to explore the effects of different solvents and additives on the crystalline habit of Dxylose, which provided insights into controlling the length-todiameter ratio of D-xylose by additives. 9 The addition of additives does significantly affect the crystallization behavior of functional sugars, improving crystal morphology and enhancing product performance. However, the introduced impurities may be affecting the purity of the crystals and are not always effective.…”