Publications by authors named "Susan B Rempe"

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Thermal Degradation Energy Landscapes of Fluorofentanyls: Probing the Mechanisms and Energetics of Bond Breaking.
Bharat Poudel, Joshua J Whiting, Juan M Vanegas, Susan B Rempe

J Phys Chem B· December 2025

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The glutaminase activity of ASNS fuels glutamine metabolism in leukemia.
Wai-Kin Chan, Lin Tan, Sara A Martinez, Di Du, Thomas D Horvath, Susan B Rempe

Haematologica· September 2025

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Thermal degradation energetics of fentanyl and its analogues: furanyl fentanyl and -fluoro fentanyl.
Bharat Poudel, Joshua J Whiting, Juan M Vanegas, Susan B Rempe

Phys Chem Chem Phys· May 2025

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Periodic Trends of Ions Bound in Molecular Cages: M-[2.2.2]-Benzocryptand Complexes in the Gas Phase.
Chin Lee, Kendrew Au, Casey D Foley, Cole D Allen, Susan B Rempe

J Phys Chem A· April 2025

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QM Investigation of Rare Earth Ion Interactions with First Hydration Shell Waters and Protein-Based Coordination Models.
Elizabeth E Wait, Christopher R Riley, Monica M Manginell, Amanda Peretti, Erik D Spoerke, Susan B Rempe

J Phys Chem B· February 2025

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Binding of Sulfates and Water to Monovalent Cations.
Mark J Stevens, Susan B Rempe

J Phys Chem A· December 2024

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Metadynamics simulations reveal mechanisms of Na+ and Ca2+ transport in two open states of the channelrhodopsin chimera, C1C2.
Lindsey A Prignano, Mark J Stevens, Juan M Vanegas, Susan B Rempe, Robert E Dempski

PLoS One· September 2024

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Nanoconfinement of Carbon Dioxide within Interfacial Aqueous/Ionic Liquid Systems.
Calen J Leverant, Danielle Richards, Erik D Spoerke, Ryan Alcala, Ying-Bing Jiang, Susan B Rempe

Langmuir· May 2024

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Erratum: Addition to "Carbonic Anhydrase Robustness for Use in Nanoscale CO Capture Technologies".
Arjun Sharma, Rong-An Chiang, Monica Manginell, Isaac Nardi, Eric N Coker, Susan B Rempe

ACS Omega· April 2024

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Transport and Energetics of Carbon Dioxide in Ionic Liquids at Aqueous Interfaces.
Arjun Sharma, Calen J Leverant, Danielle Richards, Christopher P Beamis, Erik D Spoerke, Susan B Rempe

J Phys Chem B· December 2023

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Energetics of high temperature degradation of fentanyl into primary and secondary products.
Bharat Poudel, Haley L Monteith, Jason P Sammon, Joshua J Whiting, Matthew W Moorman, Susan B Rempe

Phys Chem Chem Phys· November 2023

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Carbonic Anhydrase Robustness for Use in Nanoscale CO Capture Technologies.
Arjun Sharma, Rong-An Chiang, Monica Manginell, Isaac Nardi, Eric N Coker, Susan B Rempe

ACS Omega· October 2023

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Molecular Cage Reports on Its Contents: Spectroscopic Signatures of Cryo-Cooled K- and Ba-Benzocryptand Complexes.
Casey D Foley, Cole D Allen, Kendrew Au, Chin Lee, Susan B Rempe

J Phys Chem A· August 2023

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Control of the Structural Charge Distribution and Hydration State upon Intercalation of CO into Expansive Clay Interlayers.
Tuan A Ho, Yifeng Wang, Susan B Rempe, Nabankur Dasgupta, Cliff T Johnston

J Phys Chem Lett· March 2023

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Development of AMOEBA Polarizable Force Field for Rare-Earth La Interaction with Bioinspired Ligands.
Elizabeth E Wait, Justin Gourary, Chengwen Liu, Erik D Spoerke, Susan B Rempe

J Phys Chem B· February 2023

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Hydrophobic Nanoconfinement Enhances CO Conversion to HCO.
Nabankur Dasgupta, Tuan A Ho, Susan B Rempe, Yifeng Wang

J Phys Chem Lett· February 2023

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Hydrated Anions: From Clusters to Bulk Solution with Quasi-Chemical Theory.
Diego T Gomez, Lawrence R Pratt, Dilipkumar N Asthagiri, Susan B Rempe

Acc Chem Res· August 2022

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Enhancing Paraoxon Binding to Organophosphorus Hydrolase Active Site.
Léa El Khoury, David L Mobley, Dongmei Ye, Susan B Rempe

Int J Mol Sci· November 2021

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Quantum Calculations of VX Ammonolysis and Hydrolysis Pathways via Hydrated Lithium Nitride.
Calen J Leverant, Chad W Priest, Jeffery A Greathouse, Mark K Kinnan, Susan B Rempe

Int J Mol Sci· August 2021

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Bio-inspired incorporation of phenylalanine enhances ionic selectivity in layer-by-layer deposited polyelectrolyte films.
Stephen J Percival, Sara Russo, Chad Priest, Ryan C Hill, James A Ohlhausen, Susan B Rempe

Soft Matter· July 2021

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Thermodynamics of ion binding and occupancy in potassium channels.
Zhifeng Jing, Joshua A Rackers, Lawrence R Pratt, Chengwen Liu, Susan B Rempe

Chem Sci· July 2021

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Channelrhodopsin C1C2: Photocycle kinetics and interactions near the central gate.
Monika R VanGordon, Lindsey A Prignano, Robert E Dempski, Steven W Rick, Susan B Rempe

Biophys J· May 2021

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Tribute to Lawrence R. Pratt.
Henry S Ashbaugh, Dilipkumar Asthagiri, Thomas L Beck, Susan B Rempe

J Phys Chem B· May 2021

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Free Energies of Hydrated Halide Anions: High Through-Put Computations on Clusters to Treat Rough Energy-Landscapes.
Diego T Gomez, Lawrence R Pratt, David M Rogers, Susan B Rempe

Molecules· May 2021

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Evaluation of Electrodialysis Desalination Performance of Novel Bioinspired and Conventional Ion Exchange Membranes with Sodium Chloride Feed Solutions.
Ahm Golam Hyder, Brian A Morales, Malynda A Cappelle, Stephen J Percival, Leo J Small, Susan B Rempe

Membranes (Basel)· March 2021

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