Electrical properties of membrane phospholipids in langmuir monolayers was written by Chachaj-Brekiesz, Anna;Kobierski, Jan;Wnetrzak, Anita;Dynarowicz-Latka, Patrycja. And the article was included in Membranes (Basel, Switzerland) in 2021.Computed Properties of C37H74NO8P The following contents are mentioned in the article:
Exptl. surface pressure (π) and elec. surface potential (ΔV) isotherms were measured for membrane lipids, including the following phosphatidylcholines (PCs)-1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC); 1,2-distearoyl-sn-glycero-3-phosphocholine (DSPC); 1,2-diarachidoyl-sn-glycero-3-phosphocholine (DAPC); and 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC). In addition, other phospholipids, such as phosphatidylethanolamines (represented by 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine (DPPE)) and sphingolipids (represented by N-(hexadecanoyl)-sphing-4-enine-1-phosphocholine (SM)) were also studied. The exptl. apparent dipole moments (μexpA) of the abovementioned lipids were determined using the Helmholtz equation. The particular contributions to the apparent dipole moments of the investigated mols. connected with their polar (μp⊥) and apolar parts (μa⊥) were theor. calculated for geometrically optimized systems. Using a three-layer capacitor model, introducing the group’s apparent dipole moments (calculated herein) and adopting values from other papers to account for the reorientation of water mols. (μw⊥/εw), as well as the for the local dielec. permittivity in the vicinity of the polar (εp) and apolar (εa) groups, the apparent dipole moments of the investigated mols. were calculated (μcalcA). Since the comparison of the two values (exptl. and calculated) resulted in large discrepancies, we developed a new methodol. that correlates the results from d. functional theory (DFT) mol. modeling with exptl. determined values using multiple linear regression. From the fitted model, the following contributions to the apparent dipole moments were determined: μw⊥/εw = -1.8 ±1.4 D; εp = 10.2 ± 7.0 and εa = 0.95 ± 0.52. Local dielec. permittivity in the vicinity of apolar groups (εa) is much lower compared to that in the vicinity of polar moieties (εp), which is in line with the tendency observed by other authors studying simple mols. with small polar groups. A much higher value for the contributions from the reorientation of water mols. (μw⊥/εw) has been interpreted as resulting from bulky and strongly hydrated polar groups of phospholipids. This study involved multiple reactions and reactants, such as (2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate (cas: 923-61-5Computed Properties of C37H74NO8P).
(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate (cas: 923-61-5) belongs to alcohols. The oxygen atom of the strongly polarized O―H bond of an alcohol pulls electron density away from the hydrogen atom. This polarized hydrogen, which bears a partial positive charge, can form a hydrogen bond with a pair of nonbonding electrons on another oxygen atom. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Computed Properties of C37H74NO8P
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts