Multi-scale reactive extrusion modeling approaches to design polymer synthesis, modification and mechanical recycling

Reactive extrusion (REX) is an important processing and production technique with applications in the field of polymer synthesis, modification and recycling. A full REX design demands a multi-scale approach recognizing...

Poly(1-halogen-2-phenylacetylenes) Containing Tetraphenylethene Unit: Polymer Synthesis, Unique Emission Behaviours and Application in Explosive Detection

Pd-based catalysts have shown high activity in the polymerization of 1-chloro-2-phenylacetylene monomers in mild condition, but it is still a challenge to find synthetic routes to the polymers with high...

New 2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione-2,2’-bipyridine-based co-polymer, synthesis, photophysical properties and response to metal cations

A new co-polymer based on fragments of 2-(2-pyridyl)monoazatriphenylene and 2,5-bis (2-ethylhexyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione was prepared by using the Sonogashira reaction. The photophysical properties of the polymer were studied. The presence of a strong bathochromic shift of the absorption and emission maxima in comparison with the previously described monomer units is shown. The polymer exhibits an intense “turn-off” response toward Cu2+ cations.

Developing Methods and Algorithms for Cloud Computing Management Systems in Industrial Polymer Synthesis Processes

To date, the resources and computational capacity of companies have been insufficient to evaluate the technological properties of emerging products based on mathematical modelling tools. Often, several calculations have to be performed with different initial data. A remote computing system using a high-performance cluster can overcome this challenge. This study aims to develop unified methods and algorithms for a remote computing management system for modelling polymer synthesis processes at a continuous production scale. The mathematical description of the problem-solving algorithms is based on a kinetic approach to process investigation. A conceptual scheme for the proposed service can be built as a multi-level architecture with distributed layers for data storage and computation. This approach provides the basis for a unified database of laboratory and computational experiments to address and solve promising problems in the use of neural network technologies in chemical kinetics. The methods and algorithms embedded in the system eliminate the need for model description. The operation of the system was tested by simulating the simultaneous statement and computation of 15 to 30 tasks for an industrially significant polymer production process. Analysis of the time required showed a nearly 10-fold increase in the rate of operation when managing a set of similar tasks. The analysis shows that the described formulation and solution of problems is more time-efficient and provides better production modes. Doi: 10.28991/esj-2021-01324 Full Text: PDF

Tunable, biodegradable grafting-from glycopolypeptide bottlebrush polymers

The cellular glycocalyx and extracellular matrix are rich in glycoproteins and proteoglycans that play essential physical and biochemical roles in all life. Synthetic mimics of these natural bottlebrush polymers have wide applications in biomedicine, yet preparation has been challenged by their high grafting and glycosylation densities. Using one-pot dual-catalysis polymerization of glycan-bearing α-amino acid N-carboxyanhydrides, we report grafting-from glycopolypeptide brushes. The materials are chemically and conformationally tunable where backbone and sidechain lengths were precisely altered, grafting density modulated up to 100%, and glycan density and identity tuned by monomer feed ratios. The glycobrushes are composed entirely of sugars and amino acids, are non-toxic to cells, and are degradable by natural proteases. Inspired by native lipid-anchored proteoglycans, cholesterol-modified glycobrushes were displayed on the surface of live human cells. Our materials overcome long-standing challenges in glycobrush polymer synthesis and offer new opportunities to examine glycan presentation and multivalency from chemically defined scaffolds.