Chemistry and Chemical Biology Research
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Item Compound data for User-Friendly, Living Coordination-Insertion Polymerizations with Broad Functional Group ToleranceHsu, Jesse H.; Haynes, Cassandra A.; Macbeth, Alexandra J.; Girbau, Renee; Borrowski, Julia E.; Reilly, Maeve A.; Taylor, Abigail L.; Peltier, Cheyenne R.; Birch, Chris; Noonan, Kevin J. T.; Coates, Geoffrey W.; Fors, Brett P. (2025)These files contain data supporting all results reported in Hsu et. al. User-Friendly, Living Coordination-Insertion Polymerizations with Broad Functional Group Tolerance. In Hsu et. al. we found: The development of new user-friendly polymerizations for the synthesis of advanced functional materials has the ability to significantly accelerate discovery in materials science. However, it is often difficult to develop robust methodologies that overcome the sensitivities of many polymerization types and enable well-controlled polymerizations of diverse functional monomers. Herein, we introduce (Ad3P)Pd(Me)SbF6 as a bench-stable, single-component catalyst that is capable of living coordination-insertion polymerization of substituted norbornenes conducted open to air, at room temperature, and with broad tolerance to over 30 different functional groups. Our studies revealed that the electron-donating phosphine ligand, tri(1- adamantyl)phosphine (Ad3P), and a silver salt activating species were pivotal for maintaining well-controlled polymerizations in the presence of coordinating functionalities. We demonstrated the livingness of this catalytic system, and generated block copolymers, ultra-high molecular weight polymers, and functional polymers from a range of substituted norbornenes. Overall, this work enables coordination-insertion polymerization as a user-friendly technique for the direct synthesis of advanced functional materials.Item Data from: Anionic Reversible Addition-Fragmentation Chain-Transfer (RAFT) Polymerization of MethacrylatesJacky, Paige E.; Neukirch, Madison A.; Fors, Brett P. (2025)These files contain data supporting all results reported in Jacky, P.E.; Neukirch, M.A.; Fors, B.P. Anionic Reversible Addition-Fragmentation Chain-Transfer (RAFT) Polymerization of Methacrylates. Anionic polymerizations of methacrylates are controlled processes that give well-defined materials; however, these polymerizations require reactive and pyrophoric organolithium reagents for initiation and must be run at low temperatures to maintain control. The ability to run these reactions closer to room temperature and limit the amount of pyrophoric reagents necessary to carry out these polymerizations would increase the practicality, safety, and scalability of these reactions. Herein, we present an anionic reversible addition–fragmentation chain-transfer (RAFT) polymerization that reduces the amount of reactive alkyl lithium required for initiation and is performed at elevated temperatures compared to traditional anionic processes. By using ethyl 2-formyl-2-phenylbutanoate as a chain-transfer agent, we leverage reversible aldol reactions with the propagating enolate chain ends to achieve chain-transfer and subsequent control over the polymerization. Through the proposed anionic RAFT mechanism, a variety of methacrylates were polymerized in a controlled manner. The resulting polymers had stable, isolable aldehyde chain ends, which could be reinitiated to form block polymers.Item Data from: Radical Deamination of Primary Amines for Initiation of Controlled PolymerizationDriscoll, Megan E.; Nicholls, Bryce T.; Fors, Brett P. (2025)Spectral data for the compounds and polymers reported in the associated article and Supporting Information. Data types include NMR, GPC, MALDI, and UV-Vis.Item Compound data for Designing Polymers with Molecular Weight Distribution Based Machine LearningHu, Jenny; Sparrow, Zachary M.; Ernst, Brian G.; Mattes, Spencer M.; Coates, Geoffrey W.; DiStasio Jr., Robert A.; Fors, Brett P. (2025)These files contain data supporting all results reported in Hu et. al. Designing Polymers with Molecular Weight Distribution-Based Machine Learning. In Hu et. al., we found: Commodity plastics such as high density polyethylene (HDPE) have become integral to society. However, the potentially long-lasting ecological impacts of these plastics have spurred researchers to search for more sustainable solutions. One such solution is to develop a method for designing plastics with tunable and improved properties, thus decreasing the amount of material needed for various applications. In this work, we report a machine learning approach that maps the relationship between polymer molecular weight distributions (MWDs) and the physical properties (tensile and rheological) of HDPE. Using this approach, we design and generate HDPE materials with user-specified properties and valorize degraded postconsumer polyethylene waste. Implementation and development of this approach will facilitate the design of next-generation commodity materials and enable more efficient polymer recycling, thereby lowering the overall impact of HDPE on the environment.Item Data from: Controlled Anionic Polymerization Mediated by Carbon DioxideJacky, Paige; Easley, Alexandra; Fors, Brett (2025)These files contain data supporting all results reported in Jacky et. al. Controlled Anionic Polymerization Mediated by Carbon Dioxide. In Jacky et. al. Controlled Anionic Polymerization Mediated by Carbon Dioxide we found: Anionic polymerizations of vinyl monomers are a powerful synthetic platform to make well-defined materials. However, these reactions are extremely sensitive to moisture and oxygen, require the use of highly purified reagents, must be run at low temperatures, and use hazardous and difficult-to-handle alkyl lithium initiators. Together, these drawbacks limit the practicality of these polymerizations and impede their widespread usage. On this basis, the development of a user-friendly anionic polymerization process for methacrylates is a grand challenge. Herein, we report an anionic polymerization of methacrylates mediated by CO2 that can be run at elevated temperatures and allows the use of an easy-to-handle solid initiator. The reversible addition of CO2 to the enolate chain-end efficiently tempers the reactivity of the anion, giving polymers with narrow molar mass distributions and excellent molecular weight targeting at elevated temperatures. Our scalable and more user-friendly CO2-mediated method improves the accessibility and safety of anionic polymerizations and facilitates the production of a variety of polymeric materials.Item Data from: Degradable Thermosets via Orthogonal Polymerizations of a Single Monomer DatasetDreiling, Reagan J.; Huynh, Kathleen; Fors, Brett P. (2024)These files contain data supporting all results reported in Dreiling, R. J. et al. Degradable Thermosets via Orthogonal Polymerizations of a Single Monomer. In Dreiling, R. J. et al we found: Crosslinked thermosets are highly durable materials, but overcoming their petrochemical origins and inability to be recycled poses a grand challenge. Many strategies to access crosslinked polymers that are bioderived or degradable-by-design have been proposed, but they require multiple resource intensive synthesis and purification steps and are not yet feasible alternatives to conventional consumer materials. Here, we present a modular, one-pot synthesis of degradable thermosets from the commercially available, biosourced monomer 2,3-dihydrofuran (DHF). In the presence of a Ru catalyst and photoacid generator, DHF undergoes slow ring-opening metathesis polymerization to give a soft polymer; then, exposure to light triggers strong acid generation and promotes the cationic polymerization of the same DHF monomer to spatially crosslink and strengthen the material. By manipulating catalyst loading and light exposure, we can access materials with physical properties spanning orders of magnitude and achieve spatially resolved material domains. Importantly, the DHF-based thermosets undergo stimuli-selective degradation and can be recycled to monomer under mild heating. The use of two distinct polymerization mechanisms on a single functional group allows the synthesis of degradable and recyclable thermoset materials with precisely controlled properties.Item Compound data for Selective Electrocatalytic Degradation of Ether-Containing PolymersHsu, Jesse H.; Ball, Tyler E.; Oh, Sewon; Stache, Erin E.; Fors, Brett P. (2023)These files contain characterization data supporting all results reported in Hsu, J. H. et al. Selective Electrocatalytic Degradation of Ether-Containing Polymers. Data types include NMR, GPC, CV, and FT-IR. Experimental detail included in the Supporting Information.Item Compound data for Direct Insertion Polymerization of Ionic MonomersHsu, Jesse H.; Peltier, Cheyenne R.; Treichel, Megan; Gaitor, Jamie C.; Li, Qihao; Girbau, Renee; Macbeth, Alexandra J.; Abruña, Héctor D.; Noonan, Kevin J. T.; Coates, Geoffrey W.; Fors, Brett P. (2023-06-26)These files contain data supporting all results reported in Hsu, J. H. et al. Direct Insertion Polymerization of Ionic Monomers: Rapid Production of Anion Exchange Membranes.