Molecular Dynamics Evaluation of the Effect of Cholinium Phenylalaninate Biocompatible Ionic Liquid on Biomimetic Membranes was written by Kumari, Monika;Gupta, Aditya;Shobhna;Kashyap, Hemant K.. And the article was included in Journal of Physical Chemistry B in 2020.Electric Literature of C39H76NO8P The following contents are mentioned in the article:
Toward the search of sustainable green solvents, choline amino acid ([Ch][AA]) ionic liquids (ILs), mainly derived from renewable feedstocks, have emerged as a promising atoxic alternative to the conventional solvents. Recent studies have shown the remarkably benign nature of cholinium-based ILs against biomimetic phospholipid membranes. However, few of the contemporaneous exptl. studies have contradicted the aforesaid ecofriendly nature of these ILs with anions comprising longer alkyl or aromatic tails. Aiming to understand the influence of amino acid side-chain variation in a particular bio-IL on biomembranes, herein, the authors have evaluated the effect of cholinium phenylalaninate ([Ch][Phe]) IL on the structural stability of homogeneous biomimetic 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) and 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine (POPE) lipid bilayers using atomistic mol. dynamics simulations. Although the authors observe spontaneous intercalation of aromatic rings of [Phe]– anions in the hydrophobic region of the bilayers, the polar backbone of the anion remains coordinated with the lipid polar part through strong electrostatic and H-bonding interactions. Besides, the [Ch]+ cations get accumulated at the lipid-water interface to counter the excess neg. charge d. The intercalation of the anionic rings causes significant perturbations in the lipid structural arrangement while still maintaining the bilayer integrity. The quant. evaluation to probe the deteriorating effect of this bio-IL application establishes anions as the principal component causing the observed structural perturbations. The anal. of the structural properties along with the free energy assessment reveals the higher efficacy of [Ch][Phe] bio-IL to perturb the POPE bilayer structure than the POPC bilayer. This study involved multiple reactions and reactants, such as (2R,9Z)-1-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(palmitoyloxy)propan-2-yl oleate (cas: 26662-94-2Electric Literature of C39H76NO8P).
(2R,9Z)-1-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(palmitoyloxy)propan-2-yl oleate (cas: 26662-94-2) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is 纬-valerolactone.Electric Literature of C39H76NO8P
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics