Tag: catalyst design

A perspective on biomass-derived biofuels: from catalyst design principles to fuel properties, Yeonjoon Kim, Anna E. Thomas, David J. Robichaud, Kristiina Iisa, Peter C. St. John, Brian D. Etz, Gina M. Fioroni, Abhijit Dutta, Robert L. McCormick, Calvin Mukarakate, Seonah Kim, J. Haz. Mat., 400, 5, 123198 (2020). [Online Article]

In-situ hydrogenation of bio-oil/bio-oil phenolic compounds with secondary alcohols over a synthesized mesoporous Ni/CeO2 catalyst, Hoda Shafaghat, Yiu Fai Tsang, Jong-Ki Jeon, Ji Man Kim, Youri Park, Yeonjoon Kim, Seonah Kim, Young-Kwon Park, Chemical Engineering Journal, 382, 122912 (2020) [Online Article]

Integrating Experimental and Computational Studies Unravels the Ga Species Responsible for Enhancing Alkene Production during Catalytic Upgrading of Biomass Pyrolysis Vapors over Ga/ZSM-5, Kristiina Iisa, Yeonjoon Kim, Kellene A. Orton, David J. Robichaud, Rui Katahira, Michael J. Watson, Mark R. Nimlos, Joshua A. Schaidle, Calvin Mukarakate, and Seonah Kim, Green Chem., 22, 2403-2418 (2020) (cover page, 2020 Green Chemistry Hot Articles) [Online Article]

Isotopic Studies for Tracking Biogenic Carbon during Co-processing of Biomass and Vacuum Gas Oil, Calvin Mukarakate, Kellene Orton, Yeonjoon Kim, Stefano Dell’Orco, Carrie A Farberow, Seonah Kim, Michael J Watson, Robert Baldwin and Kim Magrini, ACS Sustainable Chem. Eng., 8, 7, 2652-2664 (2020) [Online Article]

Prediction of Hydroxymethylfurfural Yield in Glucose Conversion through Investigation of Lewis Acid and Organic Solvent Effects, Yeonjoon Kim, Ashutosh Mittal, David J. Robichaud, Heidi M. Pilath, Brian D. Etz, Peter C. St. John, David K. Johnson, and Seonah Kim, ACS Catalysis, 10, 24, 14707-14721 (2020). [Online Article]

Theoretical Determination of Size Effects in Zeolite-catalyzed Alcohol Dehydration, Larissa Y. Kunz, Lintao Bu, Brandon C. Knott, Cong Liu, Mark R. Nimlos, Rajeev S. Assary, Larry A. Curtiss, David J. Robichaud, and Seonah Kim, Catalysts, 9, 700 (2019). [Online Article]

Advancing Catalytic Fast Pyrolysis through Integrated Multiscale Modeling and Experimentation: Challenges, Progress and Perspectives, Peter N. Ciesielski, M. Brennan Pecha, Vivek S. Bharadwaj, Calvin Mukarakate, G. Jeremy Leong, Branden Kappes, Michael F. Crowley, Seonah Kim, Thomas D. Foust, Mark R. Nimlos, Wiley Interdisciplinary Reviews: Energy and Environment, (2018) (DOI: 10.1002/wene.297). [Online Article]

Consideration of the Aluminum Distribution in Zeolites in Theoretical and Experimental Catalysis Research, Brandon C. Knott, Claire T. Nimlos, David J. Robichaud, Mark R. Nimlos, Seonah Kim, Rajamani Gounder, ACS Catal., 8, 770-784 (2018) [Online Article]

Different Behaviors of a Substrate in P450 Decarboxylase and Hydroxylase Reveal Reactivity-Enabling Actors, Vivek S. Bharadwaj, Seonah Kim, Michael T. Guarnieri, Michael F. Crowley, Scientific Reports, 8, 12826 (2018). [Online Article]

Diffusion of aromatic hydrocarbons in hierarchical mesoporous H-ZSM-5, Lintao Bu, Mark R. Nimlos, David J. Robichaud, Seonah Kim†, Catalysis Today, 312, 73-81 (2018) [Online Article]

Improving Biomass Pyrolysis Economics by Integrating Vapor and Liquid Phase Upgrading, Kristiina Iisa, Michael J. Watson, Jeroen ten Dam, Abhijit Dutta, Robert M. Baldwin, Calvin Mukarakate, Seonah Kim, David J. Robichaud and Mark R. Nimlos, Green Chem. 20, 567 (2018). [Online Article]

Structural and molecular dynamics studies of a C1-oxidizing lytic polysaccharide monooxygenase from Heterobasidion irregulare reveal amino acids important for substrate recognition, Bing Liu, Abhishek A. Kognole, Miao Wu, Bjørge Westereng, Michael F. Crowley, Seonah Kim, Maria Dimarogona, Christina M. Payne, Mats Sandgren, The FEBS Journal, 285, 2225-2242 (2018). [Online Article]

Diffusion of biomass pyrolysis products in H-ZSM-5 by molecular dynamics simulations, Lintao Bu, Mark R. Nimlos, David J. Robichaud, and Seonah Kim†, J. Phys. Chem. C, 121, 500-510 (2017). (Selected Special Issue as part of The Journal of Physical Chemistry virtual special issue “Mark S. Gordon Festschrift”) [Online Article]

Exploring low-temperature dehydrogenation at ionic Cu sites in beta zeolite to enable alkane recycle in dimethyl ether homologation, Carrie A. Farberow, Singfoong Cheah, Seonah Kim, Jeffrey T. Miller, James R. Gallagher, Jesse Hensley, Joshua A. Schaidle and Daniel A. Ruddy, ACS Catal., 7(5), 3662-3667 (2017). [Online Article]

Furan production from glycolaldehyde over HZSM-5, Seonah Kim, Tabitha J. Evans, Calvin Mukarakate, Lintao Bu, Gregg T. Beckham, Mark R. Nimlos, Robert S. Paton and David J. Robichaud, ACS Sustainable Chem. Eng., 4(5), 2615-2623 (2016). [Online Article]

Carbocation Stability in H-ZSM-5 at High Temperature, Glen A. Ferguson, Lei Cheng, Lintao Bu, Seonah Kim, David J. Robichaud, Mark R. Nimlos, Larry A. Curtiss, Gregg T. Beckham, J. Phys. Chem. A. 119, 11397-11405 (2015). [Online Article]

Ethanol Dehydration in HZSM-5 studied by Density Functional Theory: Evidence for Concerted Process, Seonah Kim†, David J. Robichaud, Gregg T. Beckham, Robert S. Paton, and Mark R. Nimlos†, J. Phys. Chem. A 119 (15), 3604-3614 (2015). [Online Article]

Crystal structure of glycoside hydrolase family 127 β-l-arabinofuranosidase from Bifidobacterium longum, Tasuku Ito*, Kyo Saikawa*, Seonah Kim*, Kiyotaka Fujita, Akihiro Ishiwata, Sophon Kaeothip, Takatoshi Arakawa, Takyoshi Wakagi, Gregg T. Beckhame, Yukishige Ito, Shinya Fushinobu, Biochem. Biophys. Res. Commun. 447, 32-37 (2014) (* denotes equal author contributions). [Online Article]

Quantum Mechanical Calculations suggest that Lytic Polysaccharide Monooxygenases employ a Copper-oxyl, Oxygen-rebound Mechanism, Seonah Kim, Mats Sandgren, Jerry Ståhlberg, Robert S. Paton, Gregg T. Beckham, PNAS 111, 149-154 (2014) [Online Article]

Structural and electronic snapshots during the transition from a Cu(II) to Cu(I) metal center of a lytic polysaccharide monooxygenase by X-ray photo-reduction, Mikael Gudmundsson*, Seonah Kim*, Miao Wu*, Takuya Ishida, Majid Hadadd Momeni, Gustav Vaaje-Kolstad, Daniel Lundberg, Antoine Royant, Jerry Ståhlberg, Vincent G.H. Eijsink, Gregg T. Beckham, and Mats Sandgren, JBC 289, 18782-18792 (2014) (* denotes equal author contributions). [Online Article]