A5082001622- Analytical Chemistry and Chromatography
- Chemical Reaction Mechanisms
- Chemistry and Stereochemistry Studies
- Molecular spectroscopy and chirality
- Carbon dioxide utilization in catalysis
- CO2 Reduction Techniques and Catalysts
- Surfactants and Colloidal Systems
- Industrial Gas Emission Control
- Cancer Treatment and Pharmacology
- Fluorine in Organic Chemistry
- Advanced battery technologies research
- Asymmetric Hydrogenation and Catalysis
- PI3K/AKT/mTOR signaling in cancer
- Asymmetric Synthesis and Catalysis
- Chemical Synthesis and Analysis
- Breast Cancer Treatment Studies
- Synthesis and Catalytic Reactions
- Platelet Disorders and Treatments
- Chemical Synthesis and Reactions
- Prostate Cancer Treatment and Research
- Chemical Reactions and Isotopes
- Electrochemical Analysis and Applications
- Sulfur-Based Synthesis Techniques
- Advanced Chemical Physics Studies
- Organoboron and organosilicon chemistry
University of California, Berkeley
2022-2023
Texas A&M University
2019-2020
Binghamton University
2018
New methods for the general asymmetric synthesis of sulfonimidamides are great interest due to their applications in medicinal chemistry, agrochemical discovery, and academic research. We report a palladium-catalyzed cross-coupling method enantioselective aryl-carbonylation sulfonimidamides. Using data science techniques, virtual library calculated bisphosphine ligand descriptors was used guide reaction optimization by effectively sampling catalyst chemical space. The optimized conditions...
Additions of acids to 1,3-dienes are conventionally understood as involving discrete intermediates that undergo an ordinary competition between subsequent pathways form the observed products. The combined experimental, computational, and dynamic trajectory study here suggests this view is incorrect, solvation dynamics plays a critical role in mechanism. While implicit solvent models were inadequate, QM/QM′ trajectories explicit provide accurate prediction experimental selectivity addition...
A new class of bipolar redox active molecules with enhanced voltages is reported via the electronic coupling phthalimide anolytes and phenothiazine catholytes. Their performance tested under relevant nonaqueous flow battery conditions.
The carboborative ring contraction of cyclohexenes exhibits an abnormal selectivity pattern in which a formally concerted double migration gives rise to predominant but not exclusive inversion products. In dynamic trajectories, the and retention products are formed from same transition state, trajectories accurately account for experimental product ratios. unusual origin is dynamically retained non-equivalence newly versus pre-existing bonds after first bond migration.
Abstract A combination of experimental 13 C kinetic isotope effects (KIEs) and high‐level density functional theory (DFT) calculations is used to distinguish between “enamine” “enol” mechanisms in the Michael addition acetone trans ‐β‐nitrostyrene catalyzed by Jacobsen's primary amine thiourea catalyst. In light recent findings that widely 18 O‐incorporation probe for these flawed, results described this communication demonstrate an alternative pathways. key advantage quantitative...