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\begin{document}

\title{Structure and Hydrogen Bonds of Hydrophobic Deep Eutectic
Solvent-Aqueous Liquid-Liquid Interfaces}



\author[1]{Usman Abbas}%
\author[1]{Qi Qiao}%
\author[1]{Manh Tien  Nguyen}%
\author[2]{Jian  Shi}%
\author[1]{Qing Shao}%
\affil[1]{University of Kentucky}%
\affil[2]{Affiliation not available}%


\vspace{-1em}



  
  \date{June 18, 2024}


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\begin{abstract}
Hydrophobic deep eutectic solvents (DESs) emerge as candidates to
extract organic substrates from aqueous solutions. The DES-aqueous
liquid-liquid interface plays a vital role in the extraction ability of
hydrophobic DES because the non-bulk structure of molecules at the
interface could cause thermodynamic and kinetic barriers. One question
is how the DES compositions affect the structural features of the
DES-aqueous liquid-liquid interface. We investigate the density profile,
dipole moment and hydrogen bonds of eight hydrophobic DES-aqueous
liquid-liquid interfaces using molecular dynamics simulations. The eight
DESs are composed of four organic compounds: decanoic acid, menthol,
thymol, and lidocaine. The simulation results show the variations of
dipole moment and hydrogen bond structure and dynamics at the
liquid-liquid interfaces. Such variations could influence the extraction
ability of DES through adjusting the partition and kinetics of organic
substrates in the DES-aqueous biphasic systems.%
\end{abstract}%



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\textbf{Hosted file}

\verb`Interfacial properties of hydrophobic DESs-QQ-5-12.docx`  available at \url{https://authorea.com/users/396416/articles/523712-structure-and-hydrogen-bonds-of-hydrophobic-deep-eutectic-solvent-aqueous-liquid-liquid-interfaces}

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