Best Practices for the Collection of Robust Time Course Reaction Profiles for Kinetic Studies

Autonomous Multi‐Step and Multi‐Objective Optimization Facilitated by Real‐Time Process Analytics

(2022) Peter Sagmeister et al.   Advanced Science

Emerging Landscape of Computational Modeling in Pharmaceutical Development

(2022) Yuriy A. Abramov et al.   Journal of Chemical Information and Modeling

Asymmetric Azidation under Hydrogen Bonding Phase-Transfer Catalysis: A Combined Experimental and Computational Study

(2022) Jimmy Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Kinetic Modeling of API Oxidation: (2) Imipramine Stress Testing

(2022) Haoyang Wu et al.   MOLECULAR PHARMACEUTICS

Ring walking as a regioselectivity control element in Pd-catalyzed C-N cross-coupling

(2022) Madeleine C. Deem et al.   Nature Communications

To Err is Human; To Reproduce Takes Time

(2022) Susannah L. Scott et al.   ACS Catalysis

Chemical Knowledge via In Situ Analytics: Advancing Quality and Sustainability

(2022) Dominique Hebrault et al.   ACS Sustainable Chemistry & Engineering

Variable Temperature LED–NMR: Rapid Insights into a Photocatalytic Mechanism from Reaction Progress Kinetic Analysis

(2022) Wesley B. Swords et al.   JOURNAL OF ORGANIC CHEMISTRY

Kinetics of a Ni/Ir-Photocatalyzed Coupling of ArBr with RBr: Intermediacy of ArNiII(L)Br and Rate/Selectivity Factors

(2022) Yael Ben-Tal et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dual-Chain Polymerization at an Early Transition-Metal Single-Site Catalyst

(2022) Tanner McDaniel et al.   ACS Catalysis

Effect of Liquid–Liquid Interfacial Area on Biphasic Catalysis Exemplified by Hydroformylation

(2022) Marco Schrimpf et al.   ACS Catalysis

Real-Time Monitoring of Solid–Liquid Slurries: Optimized Synthesis of Tetrabenazine

(2021) Yusuke Sato et al.   JOURNAL OF ORGANIC CHEMISTRY

Augmenting Adaptive Machine Learning with Kinetic Modeling for Reaction Optimization

(2021) A. Filipa Almeida et al.   JOURNAL OF ORGANIC CHEMISTRY

Protodeboronation of (Hetero)Arylboronic Esters: Direct versus Prehydrolytic Pathways and Self-/Auto-Catalysis

(2021) Hannah L. D. Hayes et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Probing Catalyst Speciation in Pd-MPAAM-Catalyzed Enantioselective C(sp3)–H Arylation: Catalyst Improvement via Destabilization of Off-Cycle Species

(2021) Wei Hao et al.   ACS Catalysis

Benzylic Photobromination for the Synthesis of Belzutifan: Elucidation of Reaction Mechanisms Using In Situ LED-NMR

(2021) Yining Ji et al.   JOURNAL OF ORGANIC CHEMISTRY

Toward Sustained Product Formation in the Liquid-Phase Hydrogenation of Mandelonitrile over a Pd/C Catalyst

(2020) Mairi I. McAllister et al.   ORGANIC PROCESS RESEARCH & DEVELOPMENT

Catalyst Deactivation Processes during 1-Hexene Polymerization

(2020) Anuj Joshi et al.   ACS Catalysis

Temperature-Scanning Reaction Protocol Offers Insights into Activation Parameters in the Buchwald–Hartwig Pd-Catalyzed Amination of Aryl Halides

(2020) Olivia P. Schmidt et al.   ACS Catalysis

Mechanistic Understanding of a Robust and Scalable Synthesis of Per(6-deoxy-6-halo)cyclodextrins, Versatile Intermediates for Cyclodextrin Modification

(2020) Susan L. Zultanski et al.   ORGANIC PROCESS RESEARCH & DEVELOPMENT

NADH Regeneration: A Case Study of Pt-Catalyzed NAD+ Reduction with H2

(2020) Tony Saba et al.   ACS Catalysis

Catalytic α-Selective Deuteration of Styrene Derivatives

(2019) Thomas R. Puleo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Progress in Accurate Chemical Kinetic Modeling, Simulations, and Parameter Estimation for Heterogeneous Catalysis

(2019) Sebastian Matera et al.   ACS Catalysis

Toward Continuous Deracemization via Racemic Crystal Transformation Monitored by in Situ Raman Spectroscopy

(2019) Christos Xiouras et al.   CRYSTAL GROWTH & DESIGN

Using an Automated Monitoring Platform for Investigations of Biphasic Reactions

(2019) Jordan A. Daponte et al.   ACS Catalysis

In Situ Kinetic Studies of Rh(II)-Catalyzed Asymmetric Cyclopropanation with Low Catalyst Loadings

(2019) Bo Wei et al.   ACS Catalysis

Rationalization of Asymmetric Amplification via Autocatalysis Triggered by Isotopically Chiral Molecules

(2018) Neil A. Hawbaker et al.   ACS Central Science

Competitive Ligand Exchange and Dissociation in Ru Indenyl Complexes

(2018) Roman G. Belli et al.   INORGANIC CHEMISTRY

Real-Time Mass Spectrometric Investigations into the Mechanism of the Suzuki–Miyaura Reaction

(2018) Lars P. E. Yunker et al.   ORGANOMETALLICS

Distribution of Catalytic Species as an Indicator To Overcome Reproducibility Problems

(2017) Xavier Companyó et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

High-Throughput Automated Design of Experiment (DoE) and Kinetic Modeling to Aid in Process Development of an API

(2017) Christopher Nunn et al.   ORGANIC PROCESS RESEARCH & DEVELOPMENT

The More, The Better: Simultaneous In Situ Reaction Monitoring Provides Rapid Mechanistic and Kinetic Insight

(2017) Ryan Chung et al.   TOPICS IN CATALYSIS

Kinetic Modeling of the Nickel-Catalyzed Esterification of Amides

(2017) Nicholas A. Weires et al.   ACS Catalysis

Mechanistic Study of the Role of Substrate Steric Effects and Aniline Inhibition on the Bis(trineopentylphosphine)palladium(0)-Catalyzed Arylation of Aniline Derivatives

(2017) Huaiyuan Hu et al.   ACS Catalysis

Real-time HPLC-MS reaction progress monitoring using an automated analytical platform

(2017) Thomas C. Malig et al.   Reaction Chemistry & Engineering

Variable Time Normalization Analysis: General Graphical Elucidation of Reaction Orders from Concentration Profiles

(2016) Jordi Burés   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Procedural Rate Enhancement of Lean Aqueous Hydroformylation of 1-Octene without Additives

(2016) Helge Warmeling et al.   CHEMICAL ENGINEERING & TECHNOLOGY

Simultaneous Orthogonal Methods for the Real-Time Analysis of Catalytic Reactions

(2016) Robin Theron et al.   ACS Catalysis

Confronting Neutrality: Maximizing Success in the Analysis of Transition-Metal Catalysts by MALDI Mass Spectrometry

(2016) Gwendolyn A. Bailey et al.   ACS Catalysis

Mechanistic Insights into the Vanadium-Catalyzed Achmatowicz Rearrangement of Furfurol

(2015) Yining Ji et al.   JOURNAL OF ORGANIC CHEMISTRY

Interception and Characterization of Catalyst Species in Rhodium Bis(diazaphospholane)-Catalyzed Hydroformylation of Octene, Vinyl Acetate, Allyl Cyanide, and 1-Phenyl-1,3-butadiene

(2015) Eleanor R. Nelsen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanism of the Palladium-Catalyzed Arene C–H Acetoxylation: A Comparison of Catalysts and Ligand Effects

(2015) Amanda K. Cook et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Kinetic Profiling of Catalytic Organic Reactions as a Mechanistic Tool

(2015) Donna G. Blackmond   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tandem Reaction Progress Analysis as a Means for Dissecting Catalytic Reactions: Application to the Aza-Piancatelli Rearrangement

(2015) Ryan Chung et al.   ACS Catalysis

Mechanistic Studies on the Alkylation of Amines with Alcohols Catalyzed by a Bifunctional Iridium Complex

(2015) Agnieszka Bartoszewicz et al.   ACS Catalysis

In Situ Determination of Colloidal Gold Concentrations with UV–Vis Spectroscopy: Limitations and Perspectives

(2014) Thomas Hendel et al.   ANALYTICAL CHEMISTRY

Practical approaches to the ESI-MS analysis of catalytic reactions

(2014) Lars P.E. Yunker et al.   JOURNAL OF MASS SPECTROMETRY

Synthetic and Mechanistic Study of the Catalytic Enantioselective Preparation of Primary β-Amino Ketones from Enones and a Fluorinated Gabriel Reagent

(2014) Shlomit Avidan-Shlomovich et al.   ACS Catalysis

Stirring in Suspension: Nanometer-Sized Magnetic Stir Bars

(2013) Wen Han Chong et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Azaphosphatranes as Structurally Tunable Organocatalysts for Carbonate Synthesis from CO2 and Epoxides

(2013) Bastien Chatelet et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

When Bigger Is Better: Intermolecular Hydrofunctionalizations of Activated Alkenes Catalyzed by Heteroleptic Alkaline Earth Complexes

(2012) Bo Liu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Catalysis through Temporary Intramolecularity: Mechanistic Investigations on Aldehyde-Catalyzed Cope-type Hydroamination Lead to the Discovery of a More Efficient Tethering Catalyst

(2012) Nicolas Guimond et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanistic Rationalization of Unusual Kinetics in Pd-Catalyzed C–H Olefination

(2012) Ryan D. Baxter et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reservoir catalysis: Rationalization of anomalous reaction orders in Pd-catalyzed amination of aryl halides

(2011) Antonio C. Ferretti et al.   INORGANICA CHIMICA ACTA

ReactNMR and ReactIR as Reaction Monitoring and Mechanistic Elucidation Tools: The NCS Mediated Cascade Reaction of α-Thioamides to α-Thio-β-chloroacrylamides

(2011) David A. Foley et al.   JOURNAL OF ORGANIC CHEMISTRY

Characterization, Reactivity, and Potential Catalytic Intermediacy of a Cyclometalated Tri-tert-butylphosphine Palladium Acetate Complex

(2011) William H. Henderson et al.   ORGANOMETALLICS

Additive Effect of N-Heteroaromatics on Transesterification Catalyzed by Tetranuclear Zinc Cluster

(2011) Yusuke Maegawa et al.   ACS Catalysis

Water-Mediated Catalyst Preactivation: An Efficient Protocol for C−N Cross-Coupling Reactions

(2008) Brett P. Fors et al.   ORGANIC LETTERS