Data-Driven Multi-Objective Optimization Tactics for Catalytic Asymmetric Reactions

Jordan J. Dotson†, Lucy van Dijk†, Jacob C. Timmerman, Samantha Grosslight, Richard C. Walroth, Francis Gosselin, Kurt Püntener, Kyle A. Mack*, Matthew S. Sigman*

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

Workflow for Biocatalytic Reaction Performance Prediction and Analysis

Clements, H. D.*; Flynn, A. R.*; Nicholls, B. T.; Grosheva, D.; Hyster, T. K*.; Sigman, M. S.*

Biocatalysis, MLR

An Explosophore-Based Approach Towards the Prediction of Energetic Material Sensitivity Properties

Rein, J.; Meinhardt, J. M.; Julie L. Wahlman, J. L. H.; Sigman, M. S.*; Lin, S.*

MLR

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

Structural and Data Science-Driven Analysis to Assess Substrate Specificity of Diketopiperazine Reverse Prenyltransferase NotF: 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

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 Bios, 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

Enantioselective C2‐alkylation of indoles via a redox‐relay Heck reaction of 2‐indole triflates

Race, N.; Yuan, Q.; Sigman, M. S.

Chemical Catalysis

Enantiodivergent Pd-catalyzed C–C bond formation enabled through ligand parameterization

Zhao, S.; Gensch, T.; Murray, B.; Niemeyer, Z. L.; Sigman, M. S.; Biscoe, M. R.

MLR, Chemical Catalysis

Enantioselective fluorination of homoallylic alcohols enabled by the tuning of non-covalent interactions

Coelho, J. A. S.; Matsumoto, A.; Orlandi, M.; Hilton, M. J.; Sigman, M. S.; Toste, F. D.

Chemical Catalysis

Combining traditional 2D and modern physical organic-derived descriptors to predict enhanced enantioselectivity for the key aza-Michael conjugate addition in the synthesis of Prevymis™ (letermovir)

Metsänen, T. T.; Lexa, K. W.; Santiago, C. B.; Chung, C. K.; Xu, Y.; Liu, Z.; Humphrey, G. R.; Ruck, R. T.; Sherer, E. C.; Sigman, M. S.

MLR

Palladium-Catalyzed Enantioselective Relay Heck Arylation of Enelactams: Accessing α,β-Unsaturated δ-Lactams

Yuan, Q.; Sigman, M. S.

Chemical Catalysis

Formation of Chiral Allylic Ethers via an Enantioselective Palladium-Catalyzed Alkenylation of Acyclic Enol Ethers

Patel, H. H.; Prater, M. B.; Squire, S. O.; Sigman, M.S.*

Chemical Catalysis

Bioinspired design of a hybrid bifunctional enzymatic/organic electrocatalyst for site selective alcohol oxidation

Lancaster, L.; Hickey, D. P.; Sigman, M. S.; Minteer, S. D.; Wheeldon, I.

Biocatalysis

Mechanistic Guidance Leads to Enhanced Site-Selectivity in C-H Oxidation Reactions Catalyzed by Ruthenium bs(Bipyridine) Complexes

Santiago, C. B.; Guo, J.-Y.; Sigman, M. S

Review, MLR

Parameterization and Analysis of Peptide-Based Catalysts for the Atroposelective Bromination of 3‐Arylquinazolin-4(3H)‐ones

Crawford, J. M.; Stone, E. A.; Metrano, A. J.; Miller, S. J.; Sigman, M. S.

Chemical Catalysis, MLR

N-Ammonium Ylide Mediators for Electrochemical C–H Oxidation,

Park, Y.; Niemeyer, Z. L.; Yu, J.-Q.; Sigman, M. S.

Chemical Catalysis, MLR

Rate Profiling the Impact of Remote Functional Groups on the Redox-Relay Heck Reaction

Hendriks, K. H.; Robinson, S. G.; Braten, M. N.; Sevov, C. S.; Helms, B. A.; Sigman, M. S.; Minteer, S. D.; Sanford, M. S.

Batteries

Analyzing mechanisms in Co(i) redox catalysis using a pattern recognition platform

Biswas, S.; Kubota, K.; Orlandi, M.; Turberg, M.; Miles, D. H.; Sigman, M. S.; Toste, F. D.

Chemical Catalysis, MLR

Mechanistic Studies Inform Design of Improved Ti(salen) Catalysts for Enantioselective [3 + 2] Cycloaddition

Macazo, F. C.; Hickey, D. P.; Abdellaoui, S.; Sigman, M. S.; Minteer, S. D.*

Biocatalysis

Catalytic Enantioselective Synthesis of Difluorinated Alkyl Bromides

Liao, K.; Liu, W.; Niemeyer, Z. L.; Ren, Z.; Bacsa, J.; Musaev, D. G.; Sigman, M. S.; Davies, H. M. L.

Chemical Catalysis, MLR

Connecting and Analyzing Enantioselective Bifunctional Hydrogen Bond Donor Catalysis Using Data Science Tools

Bischoff, A. J.; Nelson, B. M.; Niemeyer, Z. L.; Sigman, M. S.; Movassaghi, M.

Chemical Catalysis, MLR

Exploiting and Understanding the Selectivity of Ru-N-Heterocyclic Carbene Metathesis Catalysts for the Ethenolysis of Cyclic Olefins to α,ω-Dienes

Engl, P. S.; Santiago, C. B.; Gordon, C. P.; Liao, W.-C.; Fedorov, A.; Copéret, C.; Sigman, M. S.; Togni, A.

Chemical Catalysis, MLR

Mechanistic Investigations of the Pd(0)-Catalyzed Enantioselective 1,1-Diarylation of Benzyl Acrylates

Orlandi, M.; Hilton, M. J.; Yamamoto, E.; Toste, F. D.; Sigman, M. S.

Chemical Catalysis, MLR

Parameterization of Acyclic Diaminocarbene Ligands Applied to a Gold(I)-Catalyzed Enantioselective Tandem Rearrangement/Cyclization

Niemeyer, Z. L.; Pindi, S.; Khrakovsky, D. A.; Kuzniewski, C. N.; Hong, C. M.; Joyce, L. A.; Sigman, M. S.; Toste, F. D.

Chemical Catalysis, MLR

Inverting Conventional Chemoselectivity in Pd-Catalyzed Amine Arylations with Multiply Halogenated Pyridines

Keylor, M. H.; Niemeyer, Z. L.; Sigman, M. S.; Tan, K. L.

Chemical Catalysis, MLR

Developing Comprehensive Computational Parameter Sets To Describe the Performance of Pyridine-Oxazoline and Related Ligands

Guo, J.-Y.; Minko, Y.; Santiago, C. B.; Sigman, M. S.

MLR, Chemical Catalysis

Ruthenium-Catalyzed C–H Hydroxylation in Aqueous Acid Enables Selective Functionalization of Amine Derivatives

Mack, J. B. C.; Gipson, J. D.; Du Bois, J.; Sigman, M. S.

Chemical Catalysis

A Role for Pd(IV) in Catalytic Enantioselective C–H Functionalization with Monoprotected Amino Acid Ligands under Mild Conditions

Plata, R. E.; Hill, D. E.; Haines, B. E.; Musaev, D. G.; Chu, L.; Hickey, D. P.; Sigman, M. S.; Yu, J.-Q.; Blackmond, D. G.

Chemical Catalysis

Parametrization of Non-covalent Interactions for Transition State Interrogation Applied to Asymmetric Catalysis

Orlandi, M.; Coelho, J. A. S.; Hilton, M. J.; Toste, F. D.; Sigman, M. S.

MLR, Chemical Catalysis

Uncovering Subtle Ligand Effects of Phosphines Using Gold(I) Catalysis

Christian, A. H.; Niemeyer, Z. L.; Sigman, M. S.; Toste, F. D.

Chemical Catalysis, MLR

Enantioselective Heck–Matsuda Arylations through Chiral Anion Phase-Transfer of Aryl Diazonium Salts

Avila, C. M.; Patel, J. S.; Reddi, Y.; Saito, M.; Nelson, H. M.; Shunatona, H. P.; Sigman, M. S.; Sunoj, R. B.; Toste, F. D.

Chemical Catalysis

Palladium-Catalyzed Enantioselective Redox-Relay Heck Alkynylation of Alkenols To Access Propargylic Stereocenters

Chen, Z.-M.; Nervig, C. S.; DeLuca, R. J.; Sigman, M. S.*

Chemical Catalysis

Nickel-Catalyzed Enantioselective Reductive Cross-Coupling of Styrenyl Aziridines

B. P. Woods, M. Orlandi, C.-Y. Huang, M. S. Sigman, A. G. Doyle

Chemical Catalysis, MLR

Pursuit of Noncovalent Interactions for Strategic Site-Selective Catalysis

Toste, F. D.; Sigman, M. S.; Miller S. J.

Review

Exploiting non-covalent π interactions for catalyst design

Neel, A. J.; Hilton,M. J.; Sigman, M. S.; Toste,F. D.

Chemical Catalysis

Substrate Channeling in an Artificial Metabolon: A Molecular Dynamics Blueprint for an Experimental Peptide Bridge

Liu, Y.; Hickey, D. P.; Guo, J.-Y.; Earl, E.; Abdellaoui, S.; Milton, R. D.; Sigman, M. S.*; Minteer, S. D.*; Calabrese Barton, S.*

Biocatalysis

The development and mechanistic investigation of a palladium-catalyzed 1,3-arylfluorination of chromenes

Thornbury, R. T.; Saini, V.; Fernandes, T. d. A.; Santiago, C. B.; Talbot, E. P. A.; Sigman, M. S.; McKenna, J. M.; Toste, F. D.*

Chemical Catalysis

Physical Organic Approach to Persistent, Cyclable, Low-Potential Electrolytes for Flow Battery Applications

Sevov, C. S.; Hickey, D. P.; Cook, M. E.; Robinson, S. G.; Barnett, S.; Minteer, S. D.*; Sigman, M. S.*; Sanford, M. S.*

Batteries

Palladium-catalyzed enantioselective Heck alkenylation of trisubstituted allylic alkenols: a redox-relay strategy to construct vicinal stereocenters

Zhang, C.; Tutkowski, B.; DeLuca, R. J.; Joyce, L. A. Wiest, O.; Sigman, M. S.*

Chemical Catalysis