Predicting the packing parameter for lipids in monolayers with the use of molecular dynamics was written by Kobierski, Jan;Wnetrzak, Anita;Chachaj-Brekiesz, Anna;Dynarowicz-Latka, Patrycja. And the article was included in Colloids and Surfaces, B: Biointerfaces in 2022.Recommanded Product: 923-61-5 The following contents are mentioned in the article:
Lipid mols. form the backbone of biol. membranes. Due to their amphiphilic structure, they can self-organize in a plethora of different structures when in contact with water. The type of self-assembled structure and its curvature depend on so-called shape factor or critical packing parameter, CPP, that can be derived knowing the mol. volume of a lipid (V), optimal surface area (a0) and critical chain length (lc) (see Intermol. and Surface Forces by Jacob N. Israelachvili, Third Edition, 2011). The value of CPP allows not only to predict the type of self-assembled structure but also is a key factor for mol. interactions, which play a great role both in physiol. and pathol. conditions. The greatest difficulties arise when calculating the a0 parameter, and although for some typical membrane lipids these values have been determined, there are a number of derivatives for which this parameter, and thus CPP, are unknown. The value of CPP allows not only to predict the type of self-assembled structure but also is a key factor for mol. interactions, which play a great role both in physiol. and pathol. conditions. So far, the determination of the packing parameter required the use of theor. models with assumptions deviating from the phys. conditions. Here we report a method based on mol. dynamics, which was applied to simulate lipid membranes consisting of cholesterol, oxysterols, sphingolipids, phosphatidylcholines, and phosphatidylethanolamines. For lipid mols. for which CPPs have already been determined, high compliance has been demonstrated. This proves that the method presented herein can be successfully used to determine packing parameters for other membrane lipids and amphiphilic mols. This study involved multiple reactions and reactants, such as (2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate (cas: 923-61-5Recommanded Product: 923-61-5).
(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. Under carefully controlled conditions, simple alcohols can undergo intermolecular dehydration to give ethers. This reaction is effective only with methanol, ethanol, and other simple primary alcohols.Recommanded Product: 923-61-5
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts