Quantifying polypeptoid conformational landscapes through integrated experiment and simulation was written by Jiao, Sally;DeStefano, Audra;Monroe, Jacob I.;Barry, Mikayla;Sherck, Nicholas;Casey, Thomas;Segalman, Rachel A.;Han, Songi;Shell, M. Scott. And the article was included in Macromolecules (Washington, DC, United States) in 2021.Computed Properties of C3H9NO The following contents are mentioned in the article:
We combine experiment and simulation to develop a powerful, validated approach for characterizing the conformational landscapes of disordered polypeptoids. Polypeptoids have become an important class of polymers, capable of precisely defined sequences while remaining gram-synthesizable-properties that have driven a rapidly expanding set of applications, including antifoulants, therapeutics, sensing, and directed self-assembly. The characterization of polypeptoid structure provides critical mol. insight into sequence-structure-function relationships. Structurally disordered polypeptoids require new approaches to interrogate their wide range of conformations in solution Here, we measure full end-to-end distance distributions, instead of configurational averages, using double electron-electron resonance (DEER) spectroscopy and enhanced sampling mol. modeling. We demonstrate excellent agreement between the experiments and simulations for a set of model hydrophilic polypeptoids. Moreover, we illustrate the utility of this combined experiment-simulation approach in probing structure-function relationships by characterizing the basic polymer physics of this polypeptoid series, demonstrating that the polypeptoids probed here exhibit excluded volume behavior. This study involved multiple reactions and reactants, such as 2-Methoxyethylamine (cas: 109-85-3Computed Properties of C3H9NO).
2-Methoxyethylamine (cas: 109-85-3) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Computed Properties of C3H9NO
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem