Size-Selective Functionalization of Sugars and Polyols Using Zeolites for Renewable Surfactant Production.

Diol functionalization with acetals in carbohydrates and polyols is ubiquitously used in protection chemistry and in the manufacture of several platform chemicals. However, the selective functionalization of molecules where multiple acetalization reactions can occur typically involves multiple protection/deprotection steps. Here, we show that zeolites can be used to size-selectively acetalize sugars and polyols in a single step, and we demonstrate the potential of this approach for producing functional chemicals and materials.

Competing Effects of Hydration and Cation Complexation in Single-Chain Alginate.

Alginic acid, a naturally occurring anionic polyelectrolyte, forms strong physically cross-linked hydrogels in the presence of metal cations. The latter engage in electrostatic interactions that compete with intra- and intermolecular hydrogen bonds, determining the gel structure and properties of the system in aqueous media. In this study, we use all-atom molecular dynamics simulations to systematically analyze the interactions between alginic acid chains and Na and Ca counterions.

Revisiting Cation Complexation and Hydrogen Bonding of Single-Chain Polyguluronate Alginate.

Modifying the properties of bio-based materials has garnered increasing interest in recent years. In related applications, the ability of alginates to complex with metal ions has been shown to be effective in liquid-to-gel transitions, useful in the development of foodstuff and pharma products as well as biomaterials, among others. However, despite its ubiquitous use, alginate behavior as far as interactions with cations is not fully understood.

Expanding carbon capture capacity: uncovering additional CO adsorption sites in imine-linked porous organic cages.

With an increasing need to develop carbon capture technologies, research regarding the use of cage-based porous materials has garnered great interest. Typically, the study of gas adsorption in porous organic cages (POCs) has focused on the gas uptake inside the cage cavity. By using molecular dynamics simulation, this study reveals the presence of eight sites outside the cavity of a 15-crown-5 ether-substituted imine-linked POC which could enhance carbon dioxide adsorption capacity.