International Business Machines Corporation

Agency for Science, Technology and Research

Leland Stanford Junior University

Central Glass Company, Limited

Hitachi Global Storage Netherlands, B.v.

Institute of Bioengineering and Nanotechnology

Coral Bay Ii, Llc.

Other

Hitachi Global Storage Technologies Netherlands B.v.

Columbia University

National University of Singapore

Agency for Science, Technology

Globalfoundries Inc.

Dow Global Technologies LLC

King Abdulaziz City for Science and Technology

James L Hedrick

Rudy J Wojtecki

Jeannette M Garcia

Dylan J Boday

Yi Yan Yang

Robert Dennis Miller

Nathaniel H Park

Mareva B Fevre

Teddie Peregrino Magbitang

Craig Jon Hawker

Willi Volksen

Victoria A Piunova

Daniel Joseph Coady

Urs T Duerig

Chuan Yang

Jane Elizabeth Frommer

Victor Yee-Way Lee

Russell Clayton Pratt

Bernd W Gotsmann

Armin W Knoll

Alshakim Nelson

Amanda Catherine Engler

Kenneth Raymond Carter

Robert M Waymouth

Kazuki Fukushima

Daniel Sanders

Richard Anthony Dipietro

Gavin O Jones

Erik Christopher Hagberg

Dmitry Zubarev

Ho-Cheol Kim

Jason T Wertz

Theodore Gerard Van Kessel

Amos Cahan

Geraud Jean-Michel Dubois

Da-Yuan Shih

Richard Anthony DiPietro

Dennis R McKean

Phillip Joe Brock

Masaki Fujiwara

Manabu Yasumoto

James Jeffrey Wynne

Brandon M Kobilka

Michael A Gaynes

George Frederick Walker

Stephen L Buchwalter

Jeffrey Curtis Hedrick

Gregory Breyta

Yun-Hsin Liao

Kie Y Ahn

Sampath Purushothaman

Hariklia Deligianni

Roy Rongqing Yu

Robert David Allen

Deborah A Neumayer

Muthumanickam Sankarapandian

Alfred Viehbeck

Michel Despont

Linda Karin Sundberg

Kang-Wook Lee

Daniel Joseph Dawson

Robert J Twieg

Victor Y Lee

Pei-Yun S Hsueh

Elbert Emin Huang

Nicholas Lawrence Abbott

Daniel Gruhl

Chandrasekhar Narayan

Thomas Guthrie Zimmerman

Alfredo Alba

Eric Gerhard Liniger

Wei Han

John Patrick Hummel

Linda Ha Kato

Steven R Welch

Chad Eric DeLuca

Fredrik Nederberg

Carl Eric Larson

Eric Andrew Appel

Steven J Holmes

Keith E Fogel

Matthew Earl Colburn

Paul Alfred Lauro

Ratnam Sooriyakumaran

Brian Samuel Beaman

Emmanuel Delamarche

Minhua Lu

Marc Husemann

Young-Hye Na

Joy Cheng

Eric F Connor

Paul A Wender

Enara C Vijil

Nicholas Ian Buchan

Fares D Alsewailem

William Dinan Hinsberg

Ute Drechsler

James P Godschalx

Delia J Milliron

Rudolf Adriaan Haring

A computational system, which may be an artificial intelligence (AI) system, allows for the electronic representation, modeling, generation, rendering, simulating, and querying of polymeric materials by encoding architectural features as nodes and embedding a directed graph of the polymeric materials within a database system. The embedding of chemical data from multiple nodes within the directed graph data structure enables a scalable data model for containing materials data within computational systems. The computational system may be used for predictive modeling of new polymeric materials and for rendering and/or simulating stochastic polymeric ensembles.

Material representation in computational systems

A process, apparatus, and material for generating polymers are disclosed. Generating the polymers comprises reacting carbon dioxide (CO) with a cyclopropenimine (CPI). Generating the polymers further comprises reacting monomers with a product of the reaction between the CPI and the CO.

Cyclopropenimines for activation of carbon dioxide

Candidate material for polymerization can be received. One or more desired features in the candidate material can be identified. A machine learning model can be trained to generate a new material having one or more of the desired features. Permissively, the candidate material can be determined from running a machine learning classification model that ranks a plurality of material as candidates. Permissively, the generated new material can be input to the machine learning classification model, for the machine learning classification model to include in ranking the plurality of material as candidates.

Expert-in-the-loop AI for materials generation

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

Techniques regarding the transportation of molecular cargo across the BBB are provided. For example, one or more embodiments described herein can comprise a chemical compound to facilitate molecular encapsulation of the molecular cargo. The chemical compound can comprise a diblock copolymer having a molecular backbone comprising a polycarbonate structure and a polyethylene glycol structure. Also, the polycarbonate structure can be functionalized with boronic acid.

Biodegradable functional polycarbonate nanoparticle carries for delivering molecular cargo

A set of material candidates expected to yield materials with target properties can be generated. A subject matter expert's decision indicating accepted and rejected material candidates from the set of material candidates can be received. Based on the subject matter expert's input, a machine learning model can be trained to replicate the subject matter expert's decision.

Expert-in-the-loop AI for materials discovery

A water-soluble polymer having an aliphatic polycarbonate backbone, a first carbonate monomer with at least one hydrophilic functionality, and a second carbonate monomer with at least one hydrophobic functionality is able to completely and quickly eliminate a virus from a human and/or animal cell. The at least one hydrophilic functionality is a sulfate, a sulfonate, a carboxylate, and/or a phosphate and the at least one hydrophobic functionality is an alkyl. The hydrophilic/hydrophobic functionalities of the polymer may be tuned to enhance the antiviral properties of the polymer and/or to decrease any cytotoxicity associated with the application of the polymer to a human and/or animal cell. The antiviral polymer is biocompatible and biodegradable.

Biocompatible and biodegradable antiviral polymers

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

Techniques regarding a chemical composition that can be utilized within one or more combination therapies to treat a microbial infection are provided. For example, one or more embodiments described herein can comprise a chemical composition that includes a first triblock polymer comprising a quaternary ammonium functionalized polycarbonate block and exhibiting anticancer activity via a lytic mechanism. The chemical composition can also include a second triblock polymer comprising a guanidinium functionalized polycarbonate block and exhibiting anticancer activity via a translocation mechanism.

Combination therapies that enhance antimicrobial/anticancer activities

A method for laser assisted delivery of therapeutic agents includes selectively controlling a valve connected to a first channel disposed within a first sidewall of a nozzle, applying, through the first channel, a first substance to penetrate dermis to a predetermined depth, and administering, through a second channel unconnected with the valve and disposed within a second sidewall of the nozzle, a second substance to remove debris.

Laser-assisted transdermal delivery of nanoparticulates and hydrogels

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

A process, composition, and apparatus for carbon dioxide (CO) sequestration are disclosed. The process includes passing air containing the COthrough a cyclopropeneimine (CPI)-functionalized material. The composition includes a CPI-functionalized material that reacts with COwhen mixed with air containing the CO. The apparatus includes a component for providing a CPI-functionalized material and mixing the material with COgas.

Cyclopropeneimines for capture and transfer of carbon dioxide

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 chemical compounds comprising perfluoroaryl groups that can facilitate post-synthesis functionalization are provided. For example, one or more embodiments described herein can comprise a chemical compound. The chemical compound can comprise a molecular backbone. The chemical compound can also comprise a pendent functional group bonded to the molecular backbone. The pendent functional group can comprise a perfluoroaryl group and a methylene group.

Chemical compounds with perfluoroaryl groups that can facilitate post-synthesis functionalization

A stimulus-responsive micellar carrier, methods that may be associated with making a stimulus-responsive micellar carrier, and methods that may be associated with using a stimulus-responsive micellar carrier are disclosed. The stimulus-responsive micellar carrier comprises a cargo molecule, and a linear block copolymer having a hydrophilic block connected to a hydrophobic block by a stimulus-responsive junction moiety. The micellar carrier can be supplied to a patient body for therapeutic purposes, such as the treatment of cancerous tissue. A method of preparing or obtaining a stimulus-responsive micellar carrier may include preparing a polyethylene glycol material having an acetal end group and then preparing a block copolymer by forming a reaction mixture including the polyethylene glycol material, a cyclic carbonate monomer, and a base.

Stimulus-responsive micellar carrier

Growing community of inventors

Pleasanton, CA, United States of America

James L Hedrick