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Solubilizing agents are widely used to extract poorly soluble compounds from biological matrices. Aqueous solutions of surfactants and hydrotropes are commonly used as solubilizers, however, the underlying mechanism that determines their action is still roughly understood. Among these, ionic liquids (IL) are often used not only for solubilization o...
Hydrogels have captivated the attention of several research and industry segments, including bioengineering, tissue engineering, implantable/wearable sensors and actuators, bioactive agent delivery, food processing, and industrial processes optimization. A common limitation of these systems is their fixed shape. The concept of hydrogel moldability...
The recovery of critical metals from spent lithium-ion batteries (LIBs) is rapidly growing. Current methods are energy-intensive and hazardous, while alternative solvent-based strategies require more studies on their 'green' character, metal dissolution mechanism and industrial applicability. Herein, we bridged this gap by studying the effect of di...
Although a theoretically extensive number of hydrophobic eutectic mixtures suitable for solvent extraction are obtainable, to date reported mixtures rely on a limited number of chelating groups, namely phosphine oxide, carboxylic acid, and ketones. Herein, a new family of Type V Deep Eutectic Solvents (DES) based on the polypyridyl ligand 1,10-phen...
I have a GROMACS trajectory of a system with various components and I want to follow a particular molecule (from which I have various in the topology) and the what other molecules appear in a defined radius around it throughout this trajectory. Specifically, I want to follow this single residue through time and the molecules that appear close to it in order to see how it enters micelles and orientates in those.
With the selection tool in visual molecular dynamics (VMD) I'm able to easily select a single residue, but not able to only see that residue and define a radius around it during the whole trajectory.
Thanks for the help!