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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.

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.

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

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.

Small Molecule Properties Define Partitioning into Biomolecular Condensates

Thody, S. A.; Clements, H. D.; Baniasadi, H.; Lyon, A. S.; Sigman, M. S.; Rosen, M. K.

MLR

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

Enantioselective construction of remote tertiary carbon–fluorine bonds

Liu, J.; Yuan, Q.; Toste, F. D.; Sigman, M. S.

Chemical Catalysis

Developing a Predictive Solubility Model for Monomeric and Oligomeric Cyclopropenium-Based Flow Battery Catholytes

Robinson, S. G.; Yan, Y.; Hendriks, K. H.; Sanford, M. S.; Sigman, M. S.

Batteries, MLR

Palladium‐Catalyzed Enantioselective Alkenylation of Enelactams using a Relay Heck Strategy

Yuan, Q.; Sigman, M. S.

Chemical Catalysis

Palladium-catalyzed enantioselective alkenylation of alkenylbenzene derivatives

Chen, Z.-M.; Liu, J.; Guo, J.-Y.; Loch, M.; Deluca, R.; Sigman, M. S.

Chemical Catalysis, MLR

A synthetic chemist's guide to electroanalytical tools for studying reaction mechanisms

Sandford, C.; Edwards, M. A.; Klunder, K. J.; Hickey, D. P.; Li, M.; Barman, K.; Sigman, M. S.; White, H. S.; Minteer, S. D.

Review

Non-Covalent Interactions Drive the Efficiency of Molybdenum Imido Alkylidene Catalysts for Olefin Metathesis

Ferreira, M. A. B.; De Jesus Silva, J.; Grosslight, S.; Fedorov, A.; Sigman, M. S.; Copéret, C.

MLR, Chemical Catalysis

Enantioselective N-Alkylation of Indoles via an Intermolecular Aza-Wacker-Type Reaction

Allen, J. R.; Bahamonde, A.; Furukawa, Y.; Sigman, M. S.

Chemical Catalysis

Enantioselective Markovnikov Addition of Carbamates to Allylic Alcohols for the Construction of α-Secondary and α-Tertiary Amines

Bahamonde, A.; Al Rifaie, B.; Martín-Heras, V.; Allen, J. R.; Sigman, M. S.

Chemical Catalysis

Disparate Catalytic Scaffolds for Atroposelective Cyclodehydration

Kwon, Y.; Li, J.; Reid, J. P.; Crawford, J. M.; Jacob, R.; Sigman, M. S.; Toste, F. D.; Miller, S. J.

Chemical Catalysis

Conformational Dynamics in Asymmetric Catalysis: Is Catalyst Flexibility a Design Element?

Crawford, J. M.; Sigman, M. S.

Review

Rapid chemiexcitation of phenoxy-dioxetane luminophores yields ultrasensitive chemiluminescence assays

Hananya, N.; Reid, J. P.; Green, O.; Sigman, M. S.; Shabat, D.

Investigating the Role of Ligand Electronics on Stabilizing Electrocatalytically Relevant Low Valent Co(I) Intermediates

Hickey, D. P.; Sandford, C.; Rhodes, Z.; Gensch, T.; Fries, L. R.; Sigman, M. S.; Minteer, S. D.

Chemical Catalysis, Electrocatalysis

Mechanistic Study of Ruthenium-Catalyzed C−H Hydroxylation Reveals an Unexpected Pathway for Catalyst Arrest

Mack, J. B. C.; Walker, K. L.; Robinson, S. G.; Zare, R. N.; Sigman, M. S.; Waymouth, R. M.; Du Bois, J.

Chemical Catalysis

Comparing quantitative prediction methods for the discovery of small-molecule chiral catalysts

Reid, J. P.; Sigman, M. S.

Review, Chemical Catalysis

Catalytic Carbonyl-Olefin Metathesis of Aliphatic Ketones: Iron(III) Homo-Dimers as Lewis Acidic Superelectrophiles

Albright, H.; Riehl, P. S.; McAtee, C. C.; Reid, J. P.; Ludwig, J. R.; Karp, L.; Zimmerman, P. M.; Sigman, M. S.; Schindler, C. S.

Chemical Catalysis

A cancer-selective zinc ionophore inspired by the natural product naamidine A

Vaden, R. M.; Guillen, K. P.; Salvant, J. M.; Santiago, C. B.; Gibbons, J. B.; Pathi, S. S.; Arunachalam, S.; Sigman, M. S.; Looper, R. E.; Welm, B. E.

Biocatalysis

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