April 19, 2024, 11:40:42 AM
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Topic: Stability of Crown ethers/ trying to use polymers as docking ligand  (Read 1326 times)

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Offline Justme1

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Hello,
Okay so this question has a few parts to it. I am working on a docking project which involves using pla or pmma sheets (3x3 monomers) as a ligand. I am taking a few polymer courses next semester, but that does not help me now. The only research I could find using these polymers as bio-medical scaffolding, the ultimate purpose of the project, involve coating nano-fiber scaffolding(such as nylon) with these polymers in the liquid state and letting them cool to solids. This is not really something I would be able to model with anything close to my level of knowledge. So I am trying to do the docking using a plane comprised solely of pla or pmma, or maybe including some type of ion or something.

I am not sure if this is at all taking the right approach, but for instance a pla monomer has one methyl group pointing upwards, and one carbonyl pointing downwards. My approach was to break the double bond on the oxygen, and have that oxygen be attached to the methyl group pointing upwards on the next monomer, thereby creating an ether between the two monomers.  I left the bottom pieces not attached to anything with the double bonds in tact. I am not analyzing the plausibility of a synthesis, just the stability. So when you put a few of these together it ends up making an uneven crown ether, with 4 oxygens, and 2, 2, 3, and 1 carbons between them respectively. Will this asymmetry complete destroy any stability? I am guessing it will. I also guess the two oxygens separated by only 1 carbon would be unstable. Is there any plausibility at all to a structure like this? Also I was wondering, are crown ethers stabilized by the carbocations that can fit within their rings, or is this just a useful property of them?

If anyone has any suggestions as to how you could better model a 3x3 plane of these monomers that would be appreciated! Also any feedback or input at all would be really appreciated. Thanks!

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