Development of a Thioetherification of Heteroarene Electrophiles with Broad Scope via a Proton Transfer Dual Ionization Mechanism
Zwick, C. R.; Eckhoff, M.l Henle, J. J.; Bay, A. V.; Swiatowiec, R.; Shekhar, S.; Yang, C.; Shou, Y.; Wall, A. L.; Hentry, R. F.; Hoskins, J. N.; Sigman, M. S.
Machine Learning
Enantioselective Synthesis of Complex Carbocycles by Donor/Donor Carbenes C-H insertion
Ruiz, J.; Turner, D.; Gao, M.; Juo, W.; Shahvali, T.; Andrade, E. J.; Kong, K.; Miller, B.; Fettinger, J.; Sigman, M.l Tantillo, D.; Shaw, J.
Understanding Catalytic Enantioselective C–H Bond Oxidation at Nonactivated Methylenes Through Predictive Statistical Modeling Analysis
Call, A.; Palone, A.; Liles, J. P.; Romer, N. P.; Read, J. A.; Luis, J. M. Sigman, M. S.; Bietti, M.; Costas, M.
Chemical Catalysis, Machine Learning
Interrogation of Enantioselectivity in the Photomediated Ring Contractions of Saturated Heterocycles
Kim, S. F.; Liles, J. P.; Lux, M. C.; Park, H.; Jurczyk, J.; Soda, Y.; Yeung, C. S.; Sigman, M. S.; Sarpong, R.
Photochemistry, MLR
Applying statistical modeling strategies to sparse datasets in synthetic chemistry
Haas, B. C.; Kalyani, D.; Sigman, M. S.
Review
Chemical education in digital chemistry
Fung, F. M.; Lederbauer, M.; Choo, Y. S. L.; Gehring, T.; Jablonka, K. M.; Jorner, K.; Schwaller, P.; Sullivan M. B.; Volkamer, A.; Sigman, M. S.; Liao, K.; Windle, C.
Review
Computational Library Enables Pattern Recognition of Noncovalent Interactions and Application as a Modern Linear Free Energy Relationship
Read, J. A.; Ball, T. E.; Miller, B. R.; Jacobsen, E. N.; Sigman, M. S.
MLR, Chemical Catalysis
Cheminformatic Analysis of Core-Atom Transformations in Pharmaceutically Relevant Heteroaromatics
Bartholomew, G. L.; Karas, L. J.; Eason, R. M.; Yeung, C. S.; Sigman, M. S.; Sarpong, R.
Data-driven Workflow for the Development and Discovery of N-oxyl Hydrogen Atom Transfer Catalysts
Yang, C.; Wild, T.; Rakova, Y.; Maldonado, S.; Sigman, M.; Stephenson, C.
MLR, Electrocatalysis
Ni-Catalyzed Enantioselective Desymmetrization: Development of Divergent Acyl and Decarbonylative Cross-Coupling Reactions
Hernandez-Mejias, A.; Shimozono, A.; Hazra, A.; Richter, S.; Tong, Z.; Langille, N.; Quasdof, K.; Parsons, A.; Sigman, M.; Reisman, S.
Electrocatalysis
SMARTpy: A Python Package for the Generation of Cavity-Specific Steric Molecular Descriptors and Applications to Diverse Systems
Miller, B.; Cammarota, R.; Sigman, M.
Chemical Catalysis
Multi-Threshold Analysis for Chemical Space Mapping of Ni-Catalyzed Suzuki-Miyaura Couplings
LeSueur, A.; Tau, N.; Sigman, M.
Chemical Catalysis, Machine Learning
Cross-coupling reactions with nickel, visible light, and tert-butylamine as a bifunctional additive
Duker, J.; Philipp, M.; Lentner, T.; Cadge, J.; Lavarda, J.; Gshwind, R.; Sigman, M. S.; Ghosh, I.; Koenig, B.
MLR, Chemical Catalysis
Development of a Deactivation-Resistant Dialkylbiarylphosphine Ligand for Pd-Catalyzed Arylation of Secondary Amines
Feng, K.; Raguram, E. R.; Howard, J. R.; Peters, E.; Liu, C.; Sigman, M. S.; Buchwald, S. L.
J. Am. Chem. Soc. 2024, 146, 39, 26609-26615.
Chemical Catalysis
Small-molecule properties define partitioning into biomolecular condensates
Thody, S. A.; Clements, H. D.; Baniasadi, H.; Lyon, A. S.; Sigman, M. S.
Machine Learning
Modular synthesis of aryl amines from 3-alkynyl-2-pyrones
Gardner, K. E.; Lescure, L.; Hardy, M. A.; Tan, J.; Sigman, M. S.; Paton, R. S.; Sarpong, R.
MLR
Development of Modular Nitrenium Bipolar Electrolytes for Possible Applications in Symmetric Redox Flow Batteries
Varenikov, A.; Gandelman, M.; Sigman, M. S.
J. Am. Chem. Soc. 2024, 146, 28, 19474-19488,
Batteries, MLR
Tricyclononenes and tricyclononadienes as efficient monomers for controlled ROMP: understanding structure–propagation rate relationships and enabling facile post-polymerization modification
Kilgallon, L. J.; McFadden, T. P.; Sigman, M. S.; Johnson, J. A.
Polymers, MLR
Using Data Science Tools to Reveal and Understand Subtle Relationships of Inhibitor Structure in Frontal Ring-Opening Metathesis Polymerization
McFadden, T. P.; Cope, R. B.; Muhlestein, R.; Layton, D. J.; Lessard, J. J.; Moore, J. S.; Sigman, M. S.
J. Am. Chem. Soc. 2024, 146, 24, 16375-16380.
Polymers, MLR
Autonomous closed-loop mechanistic investigation of molecular electrochemistry via automation
Sheng, H.; Sun, J.; Rodriguez, O.; Hoar, B.; Zhang, W.; Xiang, D.; Tang, T.; Hazra, A.; Min, D.; Doyle, A.; Sigman, M.; Costentin, C.; Gu, Q.; Rodriguez-Lopez, J.; Liu, C.
Electrocatalysis
Data Science Guided Multiobjective Optimization of a Stereoconvergent Nickel-Catalyzed Reduction of Enol Tosylates to Access Trisubstituted Alkenes
Romer, N. P.; Min, D. S.; Wang, J. Y.; Walroth, R. C.; Mack, K. A.; Sirois, L. E.; Gosselin, F.; Zell, D.; Doyle, A. G.; Sigman, M. S.
Chemical Catalysis, MLR
Rapid Prediction of Conformationally-Dependent DFT-Level Descriptors using Graph Neural Networks for Carboxylic Acids and Alkyl Amines
Haas, B. C.; Hardy, M. A.; Sowndarya S. V., S.; Adams, K.; Coley, C. W.; Paton, R. S.; Sigman, M. S.
Digital Discovery, 2025, 4, 222-223.
MLR
Cu Oxamate-Promoted Cross-Coupling of α-Branched Amines and Complex Aryl Halides: Investigating Ligand Function through Data Science
Matthews, A. D.; Peters, E.; Debenham, J. S.; Gao, Q.; Nyamiaka, M. D.; Pan, J.; Zhang, L.; Dreher, S. D.; Krska, S. W.; Sigman, M. S.; Uehling, M. R.
MLR, Chemical Catalysis
Electrocatalytic Asymmetric Nozaki–Hiyama–Kishi Decarboxylative Coupling: Scope, Applications, and Mechanism
Gao, Y.; Jiang, B.; Friede, N. C.; Hunter, A. C.; Boucher, D. G.; Minteer, S. D.; Sigman, M. S.; Reisman, S. E.; Baran, P. S.
Electrocatalysis
Computational Methods Enable the Prediction of Improved Catalysts for Nickel-Catalyzed Cross-Electrophile Coupling
Akana, M. E.; Tcyrulnikov, S.; Akana-Schneider, B. D.; Reyes, G. P.; Monfette, S.; Sigman, M. S.; Hansen, E. C.; Weix, D. J.
J. Am. Chem. Soc. 2024, 146, 5, 3043-3051.
MLR, Chemical Catalysis
Predicting success in Cu-catalyzed C–N coupling reactions using data science
Samha, M.; Karas, L.; Vogt, D.; Odogwu, E.; Elward, J.; Crawford, J.; Steves, J.; Sigman, M.
Chemical Catalysis, HTE
Deconvoluting Nonlinear Catalyst–Substrate Effects in the Intramolecular Dirhodium-Catalyzed C–H Insertion of Donor/Donor Carbenes Using Data Science Tools
Souz, L. W.; Miller, B. R.; Cammarota, R. C.; Lo, A.; Lopez, I.; Shiue, Y.; Bergstrom, B. D.; Dishman, S. N.; Fettinger, J. C.; Sigman, M. S.; Shaw, J. T.
MLR, Chemical Catalysis
Synthesis of Dihydropyrazoles via Palladium-Catalyzed Cascade Heterocyclization/Carbonylation/Arylation of β,γ-Unsaturated N-Tosyl Hydrazones
Dantas, J. A.; Hardy, M. A.; Costa, M. O.; De Oliveira, C. P.; Cabral, T. L. G.; Tormena, C. F.; Sigman, M. S.; Ferreira, M. A. B.
Chemical Catalysis, MLR
Enantioselective Sulfonimidamide Acylation via a Cinchona Alkaloid-Catalyzed Desymmetrization: Scope, Data Science, and Mechanistic Investigation
Haas, B. C.; Lim, N.-K.; Jermaks, J.; Gaster, E.; Guo, M. C.; Malig, T. C.; Werth, J.; Zhang, H.; Toste, F. D.; Gosselin, F.; Miller, S. J.; Sigman, M. S
Chemical Catalysis, MLR
Dataset Design for Building Models of Chemical Reactivity
Raghavan, P.; Haas, B. C.; Ruos, M. E.; Schleinitz, J.; Doyle, A. G.; Reisman, S. E.; Sigman, M. S.; Coley, C. W.
Review
Data science enabled discovery of a highly soluble 2,2′-bipyrimidine anolyte for application in a flow battery
Pancoast, A. R.; McCormack, S. L.; Galinat, S.; Walser-Kuntz, R.; Jett, B. M.; Sanford, M. S.; Sigman, M. S.
Batteries, MLR
14N to 15N Isotopic Exchange of Nitrogen Heteroaromatics through Skeletal Editing
Bartholomew, G. L.; Kraus, S. L.; Karas, L. J.; Carpento, F.; Bennett, R.; Sigman, M. S.; Yeung, C. S.; Sarpong, R.
Chemical Catalysis
An Asymmetric Aromatic Finkelstein Reaction: A Platform for Remote Diarylmethane Desymmetrization
Morack, T.; Myers, T. E.; Karas, L. J.; Hardy, M. A.; Mercado, B. Q.; Sigman, M.S.; Miller, S. J.
Chemical Catalysis, MLR
Identifying structure-function relationships to modulate crossover in nonaqueous redox flow batteries
Jett, B.; Flynn, A.; Sigman, M. S.; Sanford, M. S.
Batteries, MLR
Data Science-Enabled Palladium-Catalyzed Enantioselective Aryl-Carbonylation of Sulfonimidamides
van Dijk, L.; Haas, B. C.; Lim, N.-K.; Clagg, K.; Dotson, J. J.; Treacy, S. M.; Piechowicz, K. A.; Roytman, V. A.; Zhang, H.; Toste, F. D.; Miller, S. J.; Gosselin, F.; Sigman, M. S.
J. Am. Chem. Soc. 2023, 145, 38, 20959–20967.
Chemical Catalysis
Using Data Science for Mechanistic Insights and Selectivity Predictions in a Non-Natural Biocatalytic Reaction
Clements, H. D.; Flynn, A. R.; Nicholls, B. T.; Grosheva, D.; Lefave, S. J.; Merriman, M. T.; Hyster, T. K.; Sigman, M. S.
J. Am. Chem. Soc. 2023, 145, 32, 17656-17664.
Biocatalysis
Catalyst-Controlled Enantioselective and Regiodivergent Addition of Aryl Boron Nucleophiles to N-Alkyl Nicotinate Salts
Ortiz, K. G.; Dotson, J. J.; Robinson, D. J.; Sigman, M. S.; Karimov, R. R.
MLR, Chemical Catalysis
Generality-oriented optimization of enantioselective aminoxyl radical catalysis
Rein, J.; Rozema, S. D.; Langner, O. C.; Zacate, S. B.; Hardy, M. A.; Siu, J. C.; Mercado, M. Q.; Sigman, M. S.; Miller, S. J.; Lin, S.
MLR, Chemical Catalysis
A Physical Organic Chemistry Approach to Developing Cyclopropenium-Based Energy Storage Materials for Redox Flow Batteries
Walser-Kuntz, R.; Yan, Y.; Sigman, M. S.; Sanford, M. S.
Batteries
Interrogating the Mechanistic Features of Ni(I)-Mediated Aryl Iodide Oxidative Addition Using Electroanalytical and Statistical Modeling Techniques
Tang, T.; Hazra, A.; Min, D. S.; Williams, W. L.; Jones, E.; Doyle, A. G.; Sigman, M. S.
Electrocatalysis, MLR
Data science enables the development of a new class of chiral phosphoric acid catalysts
Liles, J. P.; Rouget-Virbel, C.; Wahlman, J. L. H.; Rahimoff, R.; Crawford, J. M.; Medlin, A.; O'Connor, V. S.; Li, J.; Roytman, V. A.; Toste, F. D.; Sigman, M. S.
Chemical Catalysis, MLR
A Physical Organic Approach towards Statistical Modeling of Tetrazole and Azide Decomposition
Rein, J.; Meinhardt, J. M.; Hoftstra Wahlman, J. L.; Sigman, M. S.; Lin, S.
Catalytic asymmetric C–H insertion reactions of vinyl carbocations
Nistanaki, S. K.; Williams, C. G.; Wigman, B.; Wong, J. J.; Haas, B. C.; Popov, S.; Werth, J.; Sigman, M. S.*; Houk, K.N.*; Nelson, H. M.*
Chemical Catalysis, MLR
Benzotriazoles as Low-Potential Anolytes for Non-aqueous Redox Flow Batteries
Yan, Y.; Zhang, L.; Wasler-Kuntz, R.; Vogt, D. B.; Sigman, M. S.; Yu, G.*; Sanford, M. S.*
Batteries
Exploring Structure–Function Relationships of Aryl Pyrrolidine-Based Hydrogen-Bond Donors in Asymmetric Catalysis Using Data-Driven Techniques
Samha, M. H.; Wahlman, J. L. H.; Read, J. A.; Werth, J.; Jacobsen, E. N.; and Sigman, M. S.*
MLR, Chemical Catalysis
Atroposelective Negishi Coupling Optimization Guided by Multivariate Linear Regression Analysis: Asymmetric Synthesis of KRAS G12C Covalent Inhibitor GDC-6036
Xu, J.; Grosslight, S.; Mack, K. A.; Nguyen, S. C.; Clagg, K.; Lim, N. K.; Timmerman, J. C.; Shen, J.; White, N. A.; Sirois, L. E.; Han, C.; Zhang, H.; Sigman, M. S.; Gosselin, F.
MLR, Chemical Catalysis
Comparing Halogen Atom Abstraction Kinetics for Mn(I), Fe(I), Co(I), and Ni(I) Complexes by Combining Electroanalytical and Statistical Modeling
Tang, T.; Friede, N. C.; Minteer, S. D.; Sigman, M. S.
MLR, Electrocatalysis
Investigating Oxidative Addition Mechanisms of Allylic Electrophiles with Low-Valent Ni/Co Catalysts using Electroanalytical and Data Science Techniques
Tang, T.; Jones, E.; Wild, T.; Hazra, A.; Minteer, S. D.; Sigman, M. S.
Electrocatalysis
Data Science-Driven Analysis of Substrate-Permissive Diketopiperazine Reverse Prenyltransferase NotF: Applications in Protein Engineering and Cascade Biocatalytic Synthesis of (−)-Eurotiumin A
Kelly, S. P.; Shende, V. V.; Flynn, A. R.; Dan, Q.; Ye, Y.; Smith, J. L.; Tsukamoto, S.; Sigman, M. S.; Sherman, D. H.
Biocatalysis, MLR
Noncovalent Stabilization of Radical Intermediates in the Enantioselective Hydroamination of Alkenes with Sulfonamides
Xu, E. Y.; Werth, J.; Roos, C. B.; Bendelsmith, A. J.; Sigman, M. S.; Knowles, R. R.
Chemical Catalysis, MLR
Theoretical and Experimental Investigation of Functionalized Cyanopyridines Yield an Extremely Low-Reduction-Potential Anolyte for Nonaqueous Redox Flow Batteries
Vaid, T.; Cook, M.; Scott, J.; Carazo, M. B.; Ruchti, J.; Minteer, S.; Sigman, M.; McNeil, A.; Sanford, M.
Batteries
Leveraging Regio- and Stereoselective C(sp3)–H Functionalization of Silyl Ethers to Train a Logistic Regression Classification Model for Predicting Site-Selectivity Bias
Boni, Y. T.; Cammarota, R. C.; Liao, K.; Sigman, M. S.; Davies, H. M. L.
MLR, Chemical Catalysis
Data-Driven Multi-Objective Optimization Tactics for Catalytic Asymmetric Reactions
Dotson, J. J.; van Dijk, L.; Timmerman, J. C.; Grosslight, S.; Walroth, R. C.; Gosselin, F.; Püntener, K.; Mack, K. A.; Sigman, M. S.
MLR, Chemical Catalysis
Statistical Analysis of Catalytic Performance in Ethylene/Methyl Acrylate Copolymerization Using Palladium/Phosphine-Sulfonate Catalysts
Akita, S.; Guo, J.Y.; Seidel, F.; Sigman, M.; Nozaki, K.
MLR, Chemical Catalysis
Cobalt-electrocatalytic HAT for functionalization of unsaturated C–C bonds
Gnaim, S.; Bauer, A.; Zhang, H.J.; Chen, L.; Gannett, C.; Malapit, C.; Hill, D.; Vogt, D.; Tang, T.; Daley, R.; Hao, W.; Zeng, R.; Quertenmon, M.; Beck, W.; Kandahari, E.; Vantourout, J.; Echeverria, P.G.; Abruna, H.; Blackmond, D.; Minteer, S.; Reisman, S.; Sigman, M.; Baran, P.
Electrocatalysis
Electrochemical Cobalt-Catalyzed Selective Carboxylation of Benzyl Halides with CO2 Enabled by Low-Coordinate Cobalt Electrocatalysts
Malapit, C. A.; Tanwar, M.; Pendergast, A. D.; Udyavara, S.; Beck, W. D.; Smith, R. E.; Kadic, S.; Primo, T.; Wu, A. D.; Stone, T.; White, H. S.*; Neurock, M.*; Sigman, M. S.*; Minteer, S. D.*
Electrocatalysis
Design and Application of a Screening Set for Monophosphine Ligands in Metal Catalysis
Tobias Gensch, T.*; Smith, S. R.; Colacot, T. J.; Timsina, Y.; Xu, G.; Glasspoole, B. W.; Sigman, M. S.*
MLR, Chemical Catalysis
Predicting Relative Efficiency of Amide Bond Formation using Multivariate Linear Regression
Haas, B. C.; Goetz, A. E.*; Bahamonde, A.; McWilliams, J. C.; Sigman, M. S.*
MLR
Development of High Energy Density Diaminocyclopropenium-Phenothiazine Hybrid Catholytes for Non-Aqueous Redox Flow Batteries
Yan, Y.; Vogt, D. B.; Sigman, M. S.; Sanford, M. S.*
MLR, Batteries
Stereoconvergent and -divergent Synthesis of Tetrasubstituted Alkenes by Nickel-Catalyzed Cross-Couplings
Zell, D.*; Kingston, C.; Jermaks, J.; Smith, S. R.; Seeger, N.; Wassmer, J.; Sirois, L. E.; Han, C.; Zhang, H.; Sigman, M. S.*; Gosselin, F.
J. Am. Chem. Soc. 2021, 143, 19078-19090
Chemical Catalysis, MLR
Development and Molecular Understanding of a Pd-catalyzed Cyanation of Aryl Boronic Acids Enabled by High-Throughput Experimentation and Data Analysis
De Jesus Silva, J.; Bartalucci, N.; Jelier, B.; Grosslight, S.; Gensch, T.; Schünemann, C.; Müller, B.; Kamer, P. C. J.; Copéret, C.*; Sigman, M. S.*; Togni, A.*
Chemical Catalysis, MLR
Simultaneously Enhancing the Redox Potential and Stability of Multi-Redox Organic Catholytes by Incorporating Cyclopropenium Substituents
Yichao Yan, Y.; Robinson, S. G.; Vaid, T. P.; Sigman, M. S.; Sanford, M.S.*
Batteries, MLR
The Evolution of Data-Driven Modeling in Organic Chemistry
Williams, W. L.; Zeng, L.; ‡, Gensch, T.*; Sigman, M. S.*; Doyle, A. G.*; Anslyn, E. V.*
MLR, Review
Data Science Meets Physical Organic Chemistry
Crawford, J. M.; Kingston, C.; Toste, F. D.*; Sigman, M. S.*
MLR, Review
Data-science driven autonomous process optimization
Christensen, M.; Yunker, L. P. E.; Adedeji, F.; Roch, L. M.; Gensch, T.; dos Passos Gomes, G.; Zepel, T.; Sigman, M. S.*; Aspuru-Guzik, A.*; Hein, J. E.*
Chemical Catalysis, MLR
Mechanistically Guided Workflow for Relating Complex Reactive Site Topologies to Catalyst Performance in C–H Functionalization Reactions
Ryan C. Cammarota, Wenbin Liu, John Bacsa, Huw M. L. Davies*, and Matthew S. Sigman*
MLR, Chemical Catalysis
Experimental Protocols for Studying Organic Non-aqueous Redox Flow Batteries
Min Li, Susan A. Odom*, Adam R. Pancoast, Lily A. Robertson, Thomas P. Vaid, Garvit Agarwal, Hieu A. Doan, Yilin Wang, T. Malsha Suduwella, Sambasiva R. Bheemireddy, Randy H. Ewoldt, Rajeev S. Assary, Lu Zhang, Matthew S. Sigman, and Shelley D. Minteer*
Batteries, MLR
Nickel-catalyzed asymmetric reductive cross-coupling of α-chloroesters with (hetero)aryl iodides
Travis J. DeLano, Sara E. Dibrell, Caitlin R. Lacker, Adam R. Pancoast, Kelsey E. Poremba, Leah Cleary, Matthew S. Sigman and Sarah E. Reisman
Chemical Catalysis, MLR
A Data-Driven Approach to the Development and Understanding of Chiroptical Sensors for Alcohols with Remote γ-Stereocenters
Jordan J. Dotson, Eric V. Anslyn*, and Matthew S. Sigman*
MLR
Univariate classification of phosphine ligation state and reactivity in cross-coupling catalysis
Newman-Stonebraker, S. H.; Smith, S. R.; Borowski, J. E.; Gensch, T.; Peters, E. B.; Johnson, H. C.; Sigman, M. S.*; Doyle, A. G.*
MLR, Chemical Catalysis
Carbon Atom Insertion into Pyrroles and Indoles Promoted by Chlorodiazirines
Dherange, B. D.; Kelly, P. Q.; Liles, J. P.; Sigman, M. S.; Levin, M. D.*
Chemical Catalysis, MLR
A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis
Gensch, T; dos Passos Gomes, G.; Friederich, P.; Peters, E.; Gaudin, T.; Pollice, R.; Jorner, K.; Nigam, A. Lindner-D'Addario; M.; Sigman, M. S.*; Aspuru-Guzik, A.*
MLR, Chemical Catalysis
Advancing Discovery in Chemistry with Artificial Intelligence: From Reaction Outcomes to New Materials and Catalysts
Kulik, H.J.*; Sigman, M. S.
Acc. Chem. Res., 2021, 54, 2335-2336
Guest Editorial for the Accounts of Chemical Research special issue “Data Science Meets Chemistry”.
Review
Mechanistic Guidance Leads to Enhanced Site-Selectivity in C-H Oxidation Reactions Catalyzed by Ruthenium bs(Bipyridine) Complexes
Griffin, J.D; Vogt, D.B.; Du Bois, J.; Sigman, M.S.
Chemical Catalysis, MLR
N-Ammonium Ylide Mediators for Electrochemical C–H Oxidation,
Saito, M.; Kawamata, Y.; Meanwell, M.; Navratil, R.; Chiodi, D.; Carlson, E.; Hu, P.; Chen, L.; Udyavara, S.; Kingston, C.; Tanwar. M.; Tyagi, S.; McKillican, B. P.; Gichinga, M. G.; Schmidt, M. A.; Eastgate, M. D.; Lamberto, M.-L.; He, C.; Tang, T.; Malapit, C.; Sigman, M. S.; Minteer, S. D.; Neurock, M.*; Baran, P. S.*
Biocatalysis, Electrocatalysis, MLR
Linear Regression Model Development for Analysis of Asymmetric Copper-Bisoxazoline Catalysis
Werth, J.; Sigman, M. S.
Chemical Catalysis, MLR
Rate Profiling the Impact of Remote Functional Groups on the Redox-Relay Heck Reaction
Kraus, S.L.; Ross, S.P.; Sigman, M.S.
Chemical Catalysis, MLR
Analyzing mechanisms in Co(i) redox catalysis using a pattern recognition platform
Tang, T.; Sanford, C.; Minteer, S.D.; Sigman, M.S.
Electrocatalysis, Chemical Catalysis, MLR
Interrogation of 2,2′-Bipyrimidines as Low-Potential Two-Electron Electrolytes
Griffin, J. D.; Pancoast, A. R.; Sigman, M. S.
Batteries, MLR
Mechanistic Studies Inform Design of Improved Ti(salen) Catalysts for Enantioselective [3 + 2] Cycloaddition
Robinson, S.G.; Wu, X.; Jiang, B.; Sigman, M.S.; Lin, S.
Chemical Catalysis, MLR
Catalytic Enantioselective Synthesis of Difluorinated Alkyl Bromides
Levin, M. D.; Ovian, J. M.; Read, J. A.; Sigman, M. S.; Jacobsen, E. N.
Chemical Catalysis
Connecting and Analyzing Enantioselective Bifunctional Hydrogen Bond Donor Catalysis Using Data Science Tools
Werth, J.; Sigman, M. S.
Chemical Catalysis, MLR
Organic Chemistry: A Call to Action for Diversity and Inclusion
Reisman, S. E.; Sarpong, R.; Sigman, M. S.; Yoon, T. P.
Review
Enantioselective Intramolecular Allylic Substitution via Synergistic Palladium/Chiral Phosphoric Acid Catalysis: Insight into Stereoinduction through Statistical Modeling
Tsai, C.-C.; Sandford, C.; Wu, T.; Che, B.; Sigman, M. S.; Toste, F. D.
Chemical Catalysis, MLR
Molecular-level insight in supported olefin metathesis catalysts by combining surface organometallic chemistry, high throughput experimentation, and data analysis
De Jesus Silva, J.; Ferreira, M. A. B.; Fedorov, A.; Sigman, M. S.; Copéret, C.
Chemical Catalysis, MLR
Electrochemical Ruthenium-Catalyzed C–H Hydroxylation of Amine Derivatives in Aqueous Acid
Robinson, S. G.; Mack, J. B. C.; Alektiar, S. N.; Du Bois, J.; Sigman, M. S.
Chemical Catalysis, Electrocatalysis
Development and Mechanistic Interrogation of Interrupted Chain-Walking in the Enantioselective Relay Heck Reaction
Ross, S. P.; Rahman, A. A.; Sigman, M. S.
Chemical Catalysis
Transition State Force Field for the Asymmetric Redox-Relay Heck Reaction
Rosales, A. R.; Ross, S. P.; Helquist, P.; Norrby, P.-O.; Sigman, M. S.; Wiest, O.
Chemical Catalysis, MLR
Realization of an Asymmetric Non-Aqueous Redox Flow Battery through Molecular Design to Minimize Active Species Crossover and Decomposition
Shrestha, A.; Hendriks, K. H.; Sigman, M. S.; Minteer, S. D.; Sanford, M. S.
Batteries
Strategies for remote enantiocontrol in chiral gold(iii) complexes applied to catalytic enantioselective γ,δ-Diels–Alder reactions
Reid, J. P.; Hu, M.; Ito, S.; Huang, B.; Hong, C. M.; Xiang, H.; Sigman, M. S.; Toste, F. D.
Chemical Catalysis
Enantioselective Allenoate-Claisen Rearrangement Using Chiral Phosphate Catalysts
Miró, J.; Gensch, T.; Ellwart, M.; Han, S.-J.; Lin, H.-H.; Sigman, M. S.; Toste, F. D.
Chemical Catalysis, MLR
Integrating Electrochemical and Statistical Analysis Tools for Molecular Design and Mechanistic Understanding
Robinson, S. G.; Sigman, M. S.
Review, MLR
Mechanistic Studies into the Oxidative Addition of Co(I) Complexes: Combining Electroanalytical Techniques with Parameterization
Sandford, C.; Fries, L. R.; Ball, T. E.; Minteer, S. D.*; Sigman, M. S.*
Chemical Catalysis
Enantioselective Synthesis of γ-Functionalized Cyclopentenones and δ-Functionalized Cycloheptenones Utilizing a Redox-Relay Heck Strategy
Yuan, Q.; Prater, M. B.; Sigman, M. S.*
Adv. Synth. Catal. 2019, 362(2), 326
Special Issue: Dedicated to Eric N. Jacobsen on the occasion of his 60th Birthday
Chemical Catalysis
Predictive Multivariate Linear Regression Analysis Guides Successful Catalytic Enantioselective Minisci Reactions of Diazines
Reid, J. P.; Proctor, R. S. J.; Sigman, M. S.*; Phipps, R. J.*
MLR, Chemical Catalysis
Site-Selective Acylation of Natural Products with BINOL-Derived Phosphoric Acids
Li, J.; Grosslight, S.; Miller, S. J.; Sigman, M. S.; Toste, F. D.
Chemical Catalysis
Enantioselective Synthesis of Alkyl Allyl Ethers via Palladium‐Catalyzed Redox‐Relay Heck Alkenylation of O‐Alkyl Enol Ethers
Prater, M. B.; Sigman, M. S.
Chemical Catalysis, MLR
Mechanism-Based Design of a High-Potential Catholyte Enables a 3.2 V All-Organic Nonaqueous Redox Flow Battery
Yan, Y.; Robinson, S. G.; Sigman, M. S.; Sanford, M. S.
Batteries, MLR
Holistic prediction of enantioselectivity in asymmetric catalysis
Reid, J. P.; Sigman, M. S.
MLR, Chemical Catalysis
A Physical Organic Approach to Tuning Reagents for Selective and Stable Methionine Bioconjugation
Christian, A. H.; Jia, S.; Cao, W.; Zhang, P.; Meza, A. T.; Sigman, M. S.; Chang, C. J.; Toste, F. D.
Chemical Catalysis, MLR