Publications

Publications are listed below and through Heather’s google scholar page.

Peer-Reviewed

  1. Lee, S.; Mayes, H. B.; Swanson, J. M. J.; Voth, G. A. “The Origin of Coupled Chloride and Proton Transport in a Cl–/H+ Antiporter.” J. Am. Chem. Soc., 2016, 138, 14923–14930
  2. Mayes, H. B.; Knott, B. C.; Broadbelt, L. J.; Crowley, M.F.; Ståhlberg, J.; Beckham, G. T. “Who’s On Base? Revealing the catalytic mechanism of inverting Family 6 glycoside hydrolases” Chem. Sci., 2016, 7, 5955–5968
  3. Zhou, X.; Nolte, M. W.; Mayes, H. B.; Shanks, B. H.; Broadbelt, L. J. “Fast Pyrolysis of Glucose-Based Carbohydrates with Added NaCl Part 2: Validation and Evaluation of the Mechanistic Model.” AIChE J., 2016, 62, 778–791
  4. Zhou, X.; Nolte, M. W.; Mayes, H. B.; Shanks, B. H.; Broadbelt, L. J. “Fast Pyrolysis of Glucose-Based Carbohydrates with Added NaCl Part 1: Development of a Mechanistic Model.”
    AIChE J., 2016, 62, 766–777
  5. Payne, C. M.*; Knott, B. C.*; Mayes, H. B.*; Hansson, H.; Himmel, M. E.; Sandgren, M.; Ståhlberg, J.; Beckham, G. T. “Fungal Cellulases.” Chem. Rev., 2015, 115, 1308–1448
  6. Mayes, H. B.; Nolte, M. W.; Beckham, G. T.; Shanks, B. H.; Broadbelt, L. J. “The Alpha-Bet(a) of Salty of Glucose Pyrolysis: Computational Investigations Reveal Carbohydrate Pyrolysis Catalytic Action by Sodium Ions.” ACS Catal., 2015, 5, 192–202
  7. Zhou, X.; Nolte, M. W.; Mayes, H. B.; Shanks, B. H.; Broadbelt, L. J. “Experimental and Mechanistic Modeling of Fast Pyrolysis of Neat Glucose-Based Carbohydrates. 1. Experiments and Development of a Mechanistic Model.” Ind. Eng. Chem. Res., 2014, 53, 13274–13289; ACS Editors’ Choice article
  8. Mayes, H. B.; Nolte, M. W.; Beckham, G. T.; Shanks, B. H.; Broadbelt, L. J. “The Alpha-Bet(a) of Glucose Pyrolysis: Computational and Experimental Investigations of Glucose Anomers Reveal Implications for Cellulose Pyrolysis.” ACS Sustainable Chem. Eng., 2014, 2, 1461-1473; ACS Editors’ Choice article
  9. Mayes, H. B.; Tian, J.; Nolte, M. W.; Shanks, B. H.; Beckham, G. T.; Gnanakaran, S.; Broadbelt, L. J. “Sodium Ion Interactions with Aqueous Glucose: Insights from Quantum Mechanics, Molecular Dynamics, and Experiment.” J. Phys. Chem. B, 2014, 118, 1990–2000; Featured on cover
  10. Mayes, H. B.; Broadbelt, L. J.; Beckham, G. T. “How Sugars Pucker: Electronic Structure Calculations Map the Kinetic Landscape of Five Biologically Paramount Monosaccharides and Their Implications for Enzymatic Catalysis.” J. Am. Chem. Soc., 2014, 136, 1008–1022
  11. Mayes, H. B.; Broadbelt, L. J. “Unraveling the Reactions that Unravel Cellulose.” J. Phys. Chem. A, 2012, 116, 7098–7106

Invited Commentary

  1. Mayes, H. B.*; Sheehan, S. W.*; Dotan, H.* “Energy: Fueling the Future.” Nature, 2013, 502, S60–S61

* Denotes equal contribution