International Business Machines Corporation

Agency for Science, Technology and Research

Leland Stanford Junior University

San Jose State University Research Foundation

Nanomalaysia Berhad

Victoria A Piunova

James L Hedrick

Nathaniel H Park

Yi Yan Yang

Pang Kern Jeremy Tan

Mareva B Fevre

Dmitry Zubarev

Chuan Yang

Gavin O Jones

Robert Dennis Miller

Robert M Waymouth

Joseph Sly

Binhong Lin

Young-Hye Na

Geraud J Dubois

Zhi Xiang Voo

Andy Theodora Tek

Willy Chin

Mu San Zhang

Ran Wang

Cherylette Anne Alexander

Tim Erdmann

Noah F Fine Nathel

Pedro Luis Arrechea

Daniel Stillman

Eddy Wei Ping Tan

Alshakim Nelson

William Clarence Swope

Sarathkrishna Swaminathan

Mohd Bakri Bakar

Khairiah H Badri

Emilia B A Malek

Siti Mariam B Mohd Nor

Mohd Zulkefeli Bin Mat Jusoh

Sarath Swaminathan

Techniques regarding post polymerization modifications to polycarbonate polymers via a flow reactor are provided. For example, one or more embodiments described herein can comprise a cyclic carbonate monomer that can be employed to facilitate polymerization of one or more polycarbonate platforms susceptible to post polymerization modification. For instance, one or more embodiments can regard a cyclic carbonate molecular backbone covalently bonded to an aryl halide functional group via in accordance with a chemical structure selected from the group consisting of: In the chemical structures, 'R' can be selected from the group consisting of a hydrogen atom and a functional group comprising a first alkyl group; “L” can represent a linkage group, comprising: a second alkyl group and an end group having at least one member selected from the group consisting of an oxygen atom and a nitrogen atom; and “A” can represent the aryl halide functional group.

Post polymerization modification in flow

A method for synthesizing cyclic carbonate monomers using carbon dioxide (CO) is provided. The method also includes combining reagents to synthesize the cyclic carbonate monomer, the reagents including a substrate that is a 1,X-diol, where X is between 2 and 5, a base that is a tertiary amine, a promoter that is a multidentate, bis-tertiary amine base where nitrogens are separated by 2 to 4 carbon atoms, a solvent, and CO.

AI assisted cyclic carbonate monomer synthesis

Compositions and methods regarding antimicrobial guanidinium macromolecules with one or more targeting moieties for selectively targeting bacteria are provided. According to an embodiment, an antimicrobial macromolecule is provided that comprises a polymer backbone and one or more guanidinium moieties that extend from the polymer backbone. The antimicrobial macromolecule further comprises a targeting moiety that extends from the polymer backbone. The targeting moiety can comprise a substance favored for consumption by bacteria, such as a monosaccharide.

Antimicrobial guanidinium macromolecules with bacteria targeting moieties

Techniques regarding star polymers with enhanced antimicrobial functionality are provided. For example, a polymer is provided that can comprise a core that can have a singlet oxygen generator and that can generate a singlet oxygen species upon irradiation with light. The polymer can also comprise a plurality of polycarbonate arms covalently bonded to the core. The plurality of polycarbonate arms can be degradable and can comprise a cation. Further, the plurality of polycarbonate arms can have antimicrobial functionality.

Star polymers with enhanced antimicrobial activity in response to light

Techniques regarding the synthesis of one or more polymers through one or more ring-opening polymerizations conducted within a flow reactor and facilitated by one or more anionic catalysts are provided. For example, one or more embodiments can comprise a method, which can comprise polymerizing, via a ring-opening polymerization within a flow reactor, a cyclic monomer in the presence of one or more anionic organocatalysts.

Ring-opening polymerizations using a flow reactor

Techniques regarding guanidinium functionalized polylysine polymers that can have antimicrobial and/or anticancer activity are provided. For example, one or more embodiments described herein can comprise a chemical composition, which can comprise a polymer comprising a molecular backbone covalently bonded to a pendent guanidinium functional group, wherein the molecular backbone can comprise a polylysine structure.

Polylysine polymers with antimicrobial and/or anticancer activity

Techniques regarding polymers with antimicrobial functionality are provided. For example, one or more embodiments described herein can regard a polymer, which can comprise a repeating ionene unit. The repeating ionene unit can comprise a cation distributed along a degradable backbone. The degradable backbone can comprise a terephthalamide structure. Further, the repeating ionene unit can have antimicrobial functionality.

Polymers with antimicrobial functionalities

Techniques regarding the synthesis of one or more polymers of a target polymer class are provided. For example, one or more embodiments described herein can comprise a system, which can comprise a memory that can store computer executable components. The system can also comprise a processor, operably coupled to the memory, and that can execute the computer executable components stored in the memory. The computer executable components can comprise a recommendation component that can generate a recommended chemical reactor control setting for inverse synthesis of a polymer based on a target polymer characteristic and reactor training data.

Controlling a chemical reactor for the production of polymer compounds

Techniques regarding chemical compounds with antimicrobial functionality are provided. For example, one or more embodiments describe herein can comprise a monomer that can comprise a molecular backbone. The molecular backbone can comprise a bis(urea)guanidinium structure covalently bonded to a functional group, which can comprise a radical. Also, the monomer can have supramolecular assembly functionality.

Antimicrobial polymers capable of supramolecular assembly

Techniques regarding killing of a pathogen with one or more ionene compositions having antimicrobial functionality are provided. For example, one or more embodiments can comprise a method, which can comprise contacting amicrobe with a chemical compound. The chemical compound can comprise an ionene unit. Also, the ionene unit can comprise a cation distributed along a molecular backbone. The ionene unit can have antimicrobial functionality. The method can further comprise electrostatically disrupting a membrane of themicrobe in response to the contacting.

Chemical compositions with antimicrobial functionality

Techniques regarding autonomously controlling one or more chemical reactors using generative machine learning models are provided. For example, one or more embodiments described herein can comprise a system, which can comprise a memory that can store computer executable components. The system can also comprise a processor, operably coupled to the memory, and that can execute the computer executable components stored in the memory. The computer executable components can comprise a model component that can build a generative machine learning model based on training data regarding a past chemical reactor operation. The generative machine learning model can generate a recommended chemical reactor control setting for experimental discovery of a polymer.

Generating control settings for a chemical reactor

Techniques regarding post polymerization modifications to polycarbonate polymers via a flow reactor are provided. For example, one or more embodiments described herein can comprise a cyclic carbonate monomer that can be employed to facilitate polymerization of one or more polycarbonate platforms susceptible to post polymerization modification. For instance, one or more embodiments can regard a cyclic carbonate molecular backbone covalently bonded to an aryl halide functional group via in accordance with a chemical structure selected from the group consisting of: In the chemical structures, 'R' can be selected from the group consisting of a hydrogen atom and a functional group comprising a first alkyl group; 'L' can represent a linkage group, comprising: a second alkyl group and an end group having at least one member selected from the group consisting of an oxygen atom and a nitrogen atom; and &#x201c;A&#x201d; can represent the aryl halide functional group.

Techniques regarding the synthesis of polyesters and/or polycarbonates through one or more ring-opening polymerizations conducted within a flow reactor and facilitated by a urea anion catalyst and/or a thiourea catalyst are provided. For example, one or more embodiments can comprise a method, which can comprise polymerizing, via a ring-opening polymerization within a flow reactor, a cyclic monomer in the presence an organocatalyst comprising a urea anion.

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Los Gatos, CA, United States of America

Victoria A Piunova