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3D chiral photonic nanostructures based on blue‐phase liquid crystals
3D photonic nanostructures with intrinsic chirality have recently entered the research
limelight due to their fundamental importance and potential technological applications. Blue …
limelight due to their fundamental importance and potential technological applications. Blue …
The dynamics of per-and polyfluoroalkyl substances (PFAS) at interfaces in porous media: A computational roadmap from nanoscale molecular dynamics simulation …
Managing and remediating perfluoroalkyl and polyfluoroalkyl substance (PFAS)
contaminated sites remains challenging. The major reasons are the complexity of geological …
contaminated sites remains challenging. The major reasons are the complexity of geological …
Coordination sphere of lanthanide aqua ions resolved with ab initio molecular dynamics and X-ray absorption spectroscopy
RC Shiery, JL Fulton, M Balasubramanian… - Inorganic …, 2021 - ACS Publications
To resolve the fleeting structures of lanthanide Ln3+ aqua ions in solution, we (i) performed
the first ab initio molecular dynamics (AIMD) simulations of the entire series of Ln3+ aqua …
the first ab initio molecular dynamics (AIMD) simulations of the entire series of Ln3+ aqua …
Water follows polar and nonpolar protein surface domains
The conformation of water around proteins is of paramount importance, as it determines
protein interactions. Although the average water properties around the surface of proteins …
protein interactions. Although the average water properties around the surface of proteins …
Molecular forces in liquid–liquid extraction
The phase transfer of ions is driven by gradients of chemical potentials rather than
concentrations alone (ie, by both the molecular forces and entropy). Extraction is a …
concentrations alone (ie, by both the molecular forces and entropy). Extraction is a …
Magnetic-actuated “capillary container” for versatile three-dimensional fluid interface manipulation
Fluid interfaces are omnipresent in nature. Engineering the fluid interface is essential to
study interfacial processes for basic research and industrial applications. However, it …
study interfacial processes for basic research and industrial applications. However, it …
Metastable precipitation and ion–extractant transport in liquid–liquid separations of trivalent elements
The extractant-assisted transport of metal ions from aqueous to organic environments by
liquid–liquid extraction has been widely used to separate and recover critical elements on …
liquid–liquid extraction has been widely used to separate and recover critical elements on …
Antagonistic role of aqueous complexation in the solvent extraction and separation of rare earth ions
Solvent extraction is used widely for chemical separations and environmental remediation.
Although the kinetics and efficiency of this process rely upon the formation of ion–extractant …
Although the kinetics and efficiency of this process rely upon the formation of ion–extractant …
Tracking molecular transport across oil/aqueous interfaces: Insight into “antagonistic” binding in solvent extraction
Liquid/liquid (L/L) interfaces play a key, yet poorly understood, role in a range of complex
chemical phenomena where time-evolving interfacial structures and transient …
chemical phenomena where time-evolving interfacial structures and transient …
Hydrogen-bond-driven chemical separations: Elucidating the interfacial steps of self-assembly in solvent extraction
Chemical separations, particularly liquid extractions, are pervasive in academic and
industrial laboratories, yet a mechanistic understanding of the events governing their …
industrial laboratories, yet a mechanistic understanding of the events governing their …