Mutual Relationships of Nanoconfined Hexoses: Impacts on Hydrodynamic Radius and Anomeric Ratios.

Although all hexose sugars share the same chemical formula, CHO, subtle differences in their stereochemical structures lead to their various biological roles. Due to their prominent role in metabolism, hexose sugars are commonly found in nanoconfined environments. The complexity of authentic nanoconfined biological environments makes it challenging to study how confinement affects their behavior.

Shape of AOT Reverse Micelles: The Mesoscopic Assembly Is More Than the Sum of the Parts.

AOT reverse micelles are a common and convenient model system for studying the effects of nanoconfinement on aqueous solutions. The reverse micelle shape is important to understanding how the constituent components come together to form the coherent whole and the unique properties observed there. The shape of reverse micelles impacts the amount of interface present and the distance of the solute from the interface and is therefore vital to understanding interfacial properties and the behavior of solutes in the polar core.

Predicting the Geometry of Core-Shell Structures: How a Shape Changes with Constant Added Thickness.

The core-shell assembly motif is ubiquitous in chemistry. While the most obvious examples are core/shell-type nanoparticles, many other examples exist. The shape of the core/shell constructs is poorly understood, making it impossible to separate chemical effects from geometric effects.

How to Characterize Amorphous Shapes: The Tale of a Reverse Micelle.

Aerosol-OT reverse micelles represent a chemical construct where surfactant molecules self-assemble to stabilize water nanodroplets 1-10 nm in diameter. Although commonly assumed to adopt a spherical shape, all-atom molecular dynamics simulations and some experimental studies predict a nonspherical shape. If these aggregates are not spherical, then what shape do they take? Because the tools needed to evaluate the shape of something that lacks regular structure, order, or symmetry are not well developed, we present a set of three intuitive metrics─coordinate-pair eccentricity, convexity, and the curvature distribution─that estimate the shape of an amorphous object, and we demonstrate their use on a simulated aerosol-OT reverse micelle.