Publications

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• Tan, L., Scott, H. L., Smith, M. D., Pingali, S. V., Cheng, X., O’Neill, H. M., Katsaras, J., Smith, J. C., Elkins, J. G., Davison, B. H., Nickels, J. D. (2025) “Toxic Effects of Butanol in the Plane of the Cell Membrane.” Langmuir 41(2): 1281-1296. https://doi.org/10.1021/acs.langmuir.4c03677

• Wang, Y.-Y., Wang, Y., Liang, L., Smith, M. D., Meng, X., Pu, Y., Mazarei, M., Agarwal, R., Rukmani, S., Davison, B. H., Ragauskas, A. J. (2024) “Characterization and Molecular Simulation of Lignin in Cyrene Pretreatment of Switchgrass.” Green Chemistry 26:3170-3182. http://dx.doi.org/10.1039/D3GC02239K
• Collier, C.P., Bolmatov, D.; Elkins, J.; Katsaras, J. (2024) “Nanoscopic Lipid Domains Determined by Microscopy and Neutron Scattering.” Methods 223:127-135. doi.org/10.1016/j.ymeth.2024.01.020
• Zhang, S.; X. Meng, S. Bhagia, A. Ji, M.D. Smith, Y.-Y. Wang, B. Liu, C. G. Yoo, D. P. Harper, A.J. Ragauskas. (2024) “3D printed lignin/polymer composite with enhanced mechanical and anti-thermal-aging performance.” Chem. Eng. J. 148449, doi.org/10.1016/j.cej.2023.148449
• Sethuraman, V., J.V. Vermaas, L. Liang, A.J. Ragauskas, J.C. Smith, L. Petridis. (2024). “Atomistic Simulations of Polydisperse Lignin Melts Using Simple Polydisperse Residue Input Generator.” Biomacromolecules 25:767-777, doi.org/10.1021/acs.biomac.3c00951
• Yang, S., Mohan, M., Gao, X., Yang, X., Zhu, J. Smith, J. C., Wang, L. (2024) “Multiscale Investigation of the Mechanism of Biomass Deconstruction in the Dimethyl isosorbide/Water Co-Solvent Pretreatment System”, Green Chem 26:4758-4770, DOI 10.1039/d4gc00510d.
• Mohan, M., Jetti, K., Smith, M., Demerdash, O., Kidder, M., Smith, J. (2024) “Accurate Machine Learning for Predicting the Viscosities of Deep Eutectic Solvents“, J Chem Theory Comp 20(9):3911-3926. DOI 10.1021/acs.jctc.3c01163
• Kumar, N., Mohan, M., Smith, J. C., Simmons, B. A., Singh, S., Banarjee, T. (2024) “Inhibition of Asphaltene Aggregation using Deep Eutectic Solvents: COSMO-RS Calculations and Experimental Validation.” J Molec Liquids 400:124471. DOI 10.1016/j.molliq.2024.124471
• Johs, A., Qian, S., Coates, L., Davison, B. H., Elkins, J. G., Gu, X., Morrell-Falvey, J., O’Neill, H., Warren, J. M., Pierce, E. M., Herwig, K. (2024) “Neutrons for Environmental and Biological Sciences: New Opportunities from the Second Target Station at Spallation Neutron Source at Oak Ridge National Laboratory,” Frontiers of Environmental Science & Engineering (FESE) 18:92. https://doi.org/10.1007/s11783-024-1852-z
• Mohan, M., Demerdash, O, N., Simmons, B. A., Singh, S., Kidder, M. K., Smith, J. C. (2024) “Physics-Based Machine Learning Models Predict Carbon Dioxide Solubility in Chemically Reactive Deep Eutectic Solvents.” ACS Omega 9:19548–19559. https://doi.org/10.1021/acsomega.4c01175
• Senanayake, M., Lin, C.-Y., Mansfield, S. D., Eudes, A., Davison, B. H., Pingali, S. V., O’Neill, H. (2024) “Ectopic Production of 3,4-Dihydroxybenzoate in Planta Affects Cellulose Structure and Organization.” Biomacromolecules 25(6): 3542 – 3553. https://doi.org/10.1021/acs.biomac.4c00187
• Mohan, M., Jetti, K.D., Guggilam, S., Smith, M.D., Kidder, M.K., Smith, J.C. (2024) “High-Throughput Screening and Accurate Prediction of Ionic Liquid Viscosities Using Interpretable Machine Learning.” ACS Sus. Chem. Eng. 12: 740-754, DOI: 10.1021/acssuschemeng.4c00631
• Kinnun, J.J., Carrillo, J.M.Y., Collier, C.P, Smith, M.D., Katsaras, J. (2024) “Amantadine interactions with phase separated lipid membranes.” Chem. Phys. Lipids 262: 105397, https://doi.org/10.1016/j.chemphyslip.2024.105397.
• Wang Y., Meng X., Conte A., Senanayake M., Pu Y., Yoo C. G., Pingali S. V., Ragauskas A. J., (2024) “Investigation of Cyrene organosolv fractionation of softwood biomass and alkaline post-incubation.” Chemical Eng. J 494: 153046, https://doi.org/10.1016/j.cej.2024.153046.

• Shah, R S., Senanayake, M., Zhang, H.-H., Pu, Y., Biswal, A. K., Pingali, S. V., Davison, B., O’Neill, H. (2023) “Evidence for Lignin-Carbohydrate Complexes from Studies of Transgenic Switchgrass and a Model Lignin-Pectin Composite.” ACS Sust Chem Eng 11:15941–15950. doi.org/10.1021/acssuschemeng.3c04322
• Yang, Z., Bhagia, S., O’Neill, H., Evans, B. R., Ragauskas, A., Davison, B. H., Pingali, S. V. (2023) “Deconvoluting structures of component plant biopolymers using deuterium labeled Brassica oleracea stems.” ACS Sust Chem Eng 11(49): 17238-17248. DOI: 10.1021/acssuschemeng.3c04076
• Gupta, M., Dupree, P., Petridis, L., Smith, J. C. (2023) “Patterns in interactions of variably acetylated xylans with hydrophobic cellulose surfaces.” Cellulose 30:11323–11340. https://doi.org/10.1007/s10570-023-05584-z.
• Tan, L., Scott, H. L., Smith, M. D., Pingali, S. V., O’Neill, H. M., Morrell-Falvey, J. L., Katsaras, J., Smith, J. C., Davison, B. D., Elkins, J. G., Nickels, J. D. (2023) “Amphiphilic co-solvents modulate structure of membrane domains.”  ACS Sustainable Chemistry & Engineering 11 (4): 1598–1609. https://doi.org/10.1021/acssuschemeng.2c06876.
• Meng, X., Wang, Y., Conte, A. G., Zhang, S., Ryu, J., Wie, J. J., Pu, Y., Davison, B. H., Yoo, H. G., Ragauskas, A. J. (2023) “Applications of biomass-derived solvents in biomass pretreatment – strategies, challenges, and prospects.” Bioresource Technol. 368: 128280. https://doi.org/10.1016/j.biortech.2022.128280.
• Li, R., Zheng, Y., Zhao, X., Yong, Q., Meng, X., Ragauskas, A. J., Huang, C. (2023) “Recent advances in biomass pretreatment using biphasic solvent system. Green Chemistry.” Green Chemistry 25: 2505 – 2523.
• Annamraju, A., Rajan, K., Zuo, X., Long, B. K., Pingali, S. V., Elder, T. J., Labbé, N. (2023) “Atomic Level Interactions and Suprastructural Configuration of Plant Cell Wall Polymers in Dialkylimidazolium Ionic Liquids.” (2023) Biomacromolecules 24 (5): 2164–2172. https://doi.org/10.1021/acs.biomac.3c00047
• Mohan, M., Smith, M. D., Demerdash, O., Kidder, M. K., Smith, J. C. (2023). “Predictive understanding of the surface tension and velocity of sound in ionic liquids using machine learning. The Journal of Chemical Physics, 158(21): 214502. https://doi.org/10.1063/5.0147052
• Mohan, M., Smith, M. D., Demerdash, O. N., Simmons, B. A., Singh, S., Kidder, M. K., & Smith, J. C. (2023). “Quantum Chemistry-Driven Machine Learning Approach for the Prediction of the Surface Tension and Speed of Sound in Ionic Liquids.” ACS Sustainable Chemistry & Engineering 11:7806-7821.
• Shah, R S., Senanayake, M., Zhang, H.-H., Pu, Y., Biswal, A. K., Pingali, S. V., Davison, B., O’Neill, H. (2023) “Evidence for Lignin-Carbohydrate Complexes from Studies of Transgenic Switchgrass and a Model Lignin-Pectin Composite.” ACS Sustainable Chemistry and Engineering 11: 15941 – 15950. https://doi.org/10.1021/acssuschemeng.3c04322
• Wang, Y.-Y., Wang, Y., Liang, L., Smith, M. D., Meng, X., Pu, Y., Mazarei, M., Agarwal, R., Rukmani, S., Davison, B. H., Ragauskas, A. J. (2023) “Characterization and Molecular Simulation of Lignin in Cyrene Pretreatment of Switchgrass.” Green Chemistry 26:3170-3182. http://dx.doi.org/10.1039/D3GC02239K.
• Mohan, M., Demerdash, O., Simmons, B. A., Smith, J. C., Kidder, M. K., & Singh, S. (2023). “Accurate prediction of carbon dioxide capture by deep eutectic solvents using quantum chemistry and a neural network.” Green Chemistry 25(9): 3475-3492.
• Yang, Z., Bhagia, S., O’Neill, H., Evans, B. R., Ragauskas, A., Davison, B. H., Pingali, S. V. (2023) “Deconvoluting structures of component plant biopolymers using deuterium labeled Brassica oleracea” Sustainable Chemistry and Engineering 11(49): 17238-17248. DOI: 10.1021/acssuschemeng.3c04076
• Gupta, M., Dupree, P., Petridis, L., Smith, J. C. (2023) Patterns in interactions of variably acetylated xylans with hydrophobic cellulose surfaces. Cellulose 30, 11323–11340. https://doi.org/10.1007/s10570-023-05584-z

• Plaza, N.Z., Pingali, S.V., and Ibach, R.E. (2022) “Nanostructural Changes Correlated to Decay Resistance of Chemically Modified Wood Fibers.” Fibers 10: 40. DOI: 3390/fib10050040
• Ibach, R.E., Plaza, N., and Pingali, S.V. (2022) “Small-Angle Neutron Scattering Reveals Wood Nanostructural Features in Decay Resistant Chemically Modified Wood.” For. Glob. Change 4: 814086. DOI: 10.3389/ffgc.2021.814086
• Huang, C., Jiang, X., Shen, X., Hu, J., Tang, W., Wu, X., Ragauskas, A., Jameel, H., Meng, X., Yong, Q. (2022) “Lignin-enzyme interaction: A roadblock for efficient enzymatic hydrolysis of  lignocellulosics” Renewable and Sustainable Energy Reviews 154:111822 https://doi.org/10.1016/j.rser.2021.111822.
• Liang, L., Wang, Y.-Y., Bhagia, S., Sethuraman, V., Yang, Z., Meng, X., Bryant, N., Petridis, L., Smith, J. C., Pingali, S. V., Gallego, N. C., Pu, Y., Evans, B. R., O’Neill, H. M., Davison, B. H., Ragauskas, A. J. (2022) ACS Sust. Chem. Eng. “Chemical and Morphological Structure of Transgenic Switchgrass Organosolv Lignin Extracted by Ethanol, Tetrahydrofuran, and γ‑Valerolactone Pretreatments” ACS Sust. Chem. Eng. 10 (28): 9041–9052. doi.org/10.1021/acssuschemeng.2c00948
• Yao, L.; Yang, H.; Meng X.; Ragauskas, A.J. (2022) “Toward a Fundamental Understanding of the Role of Lignin in the Biorefinery Process.” Frontiers in Energy Res 9:895. DOI: 3389/fenrg.2021.804086.
• Nickels, J. D., Bonifer, K. S., Tindall, R. R., Yahya, A., Tan, L., Do, C., Davison, B. H., Elkins, J.G. (2022) “Improved chemical and isotopic labeling of biomembranes in Bacillus subtilis by leveraging CRISPRi inhibition of beta-ketoacyl-ACP synthase (fabF).”  Mol. Biosci. 9:1011981. doi: 10.3389/fmolb.2022.1011981
• Tan, L., Smith, M. D., Scott, H. L., Yahy, A., Elkins, J. G., Katsaras, J., O’Neill, H. M., Pingali, S. V., Smith, J. C., Davison, B. D., Nickels, J. D. (2022) “Modeling the partitioning of amphiphilic molecules and co-solvents in biomembranes.” Appl. Cryst. 55(6). doi.org/10.1107/S1600576722008998.
• Song, Yan, Xianzhi Meng, Wei Jiang, Barbara R. Evans, Haoxi Ben, Yuanming Zhang, Yunqiao Pu et al. (2022) “Deuterium incorporation into cellulose: a mini-review of biological and chemical methods.” Cellulose: 1-18. DOI:https://doi.org/10.1007/s10570-022-04551-4
• Sawada, D., Nishiyama, Y., Shah, R., Forsyth, V. T., Mossou, E., O’Neill, H. M., Wada, M., Langan, P. (2022) “Untangling the threads of cellulose mercerization.” Nature Communications 13:6189 https://doi.org/10.1038/s41467-022-33812-w

• Yang, Z., Foston, M.B., O’Neill, H., Urban, V.S., Ragauskas, A., Evans, B.R, Davison, B.H., and Pingali, S. V. “Structural Reorganization of Non-Cellulosic Polymers Observed in situ during Dilute Acid Pretreatment by Small Angle Neutron Scattering.” ACS Sust Chem Eng (2021).
• Tan, L., Elkins, J.G., Davison, B.H., Kelley, E.G., and Nickels, J. “Implementation of a Self- Consistent Slab Model of Bilayer Structure in the SasView Suite.” (2021). J Appl Cryst 54:364–370.
• Smith, M.D., and Smith, J. C. “Effects of Sodium and Calcium Chloride Ionic Stresses on Model Yeast Membranes Revealed by Molecular Dynamics Simulation.” (2021) Chem Physics Lipids 233:104980.
• Chen, P., Li, Y., Nishiyama, Y., Pingali, S. V., O’Neill, H. M., Zhang, Q., Berglund, L. A. “Small Angle Neutron Scattering Shows Nanoscale PMMA Distribution in Transparent Wood ” (2021)Nano Lett (21) 7:2883–2890.
• Wang, J., Rajan, K., Annamraju, A., Chmely, S.C., Pingali, S.V., Carrier, D.J., and Labbé, N. “A Sequential Autohydrolysis-Ionic Liquid Fractionation Process for High Quality Lignin Production.” (2021) Energy Fuels 35 (3): 2293–2302. DOI: 1021/acs.energyfuels.0c03849

• Chundawat, S.P.S., da Costa Sousa, L., Roy, S., Yang, Z., Gupta, S., Pal, R., Zhao, C., Liu S-H., Petridis, L., O’Neill, H., and Pingali, S.V. (2020) “Ammonia-salt solvent promotes cellulosic biomass deconstruction under ambient pretreatment conditions to enable rapid soluble sugar production at ultra-low enzyme loadings.” Green Chemistry 22:204-218. DOI: 1039/C9GC03524A.
• Agarwal, R., Shrestha, U. R., Chu, X.-Q., Petridis, L., and Smith, J. C. (2020) “Mesophilic Pyrophosphatase Function at High Temperature: A Molecular Dynamics Simulation Study.” Biophys J 119:142–150. DOI: 1016/j.bpj.2020.05.021.
• Nickels, J. D., Poudel, S., Chatterjee, S., Farmer, A., Cordner, D., Campagna, S. R., Giannone, R. J., Hettich, R. J., Myles, D. A. A., Standaert, R. F., Katsaras, J., Elkins, J. G., and Davison. B. H. “Impact of Fatty Acid Labeling of Bacillus subtilis Membranes on the Cellular Lipidome and ” (2020) Frontiers Microbiol: Systems Microbiol 11:914. DOI: 10.3389/fmicb.2020.00914.
• Agarwal, , Smith, M. D., and Smith, J. C. “Capturing Deuteration Effects in a Molecular Mechanics Force Field: Deuterated THF and the THF–Water Miscibility Gap.” (2020) J Chem Theory Comput. 16:2529–2540. DOI: 10.1021/acs.jctc.9b01138.
• Pingali, S. V., Smith, M. D., Liu, S. H., Rawal, T. B., Pu, Y., Shah, R., Evans, B. R., Urban, V. S., Davison, H., Cai, C. M., Ragauskas, A. J., O’Neill, H. M., Smith, J. C., and Petridis, L. “Deconstruction of Biomass Enabled by Local Demixing of Cosolvents at Cellulose and Lignin Surfaces.” (2020) PNAS 117:16776–16781.
• Smith, M. D., Pingali, S. V., Elkins, J. G., Bolmatov, D., Standaert, R. F., Nickels, J. D., Urban, V. S., Katsaras, J., Davison, B., Smith, J. C., and Petridis, L. “Solvent-Induced Membrane Stress in Biofuel Production: Molecular Insights from Small-Angle Scattering and All-Atom Molecular Dynamics ” (2020) Green Chem 22:8278–8288. DOI: 10.1039/D0GC01865A. Journal back cover.
• Meng, X., Bhagia, S., Wang, Y., Zhou, Y., Pu, Y., Dunlap, J. R., Shuai, L., Ragauskas, A. J., Yoo, C.G. “Effects of the advanced organosolv pretreatment strategies on structural properties of woody biomass.” (2020) Industrial Crops and Products 146: 112144.
• Vural, D., Smith, J. C., and Petridis, L. “Polymer Principles Behind Solubilizing Lignin with Organic Cosolvents for Bioenergy.” (2020) Green Chem 22:4331–4340. DOI:10.1039/D0GC00630K.
• Zhu, Y., Rodriguez, N. P., Kojima, Y., Yoshida, M., Zhang, J., Jellison, J., Pingali, S. V., O’Neill, H., and Goodell, B. “Nanostructural Analysis of Enzymatic and Non-Enzymatic Brown-Rot Fungal Deconstruction of the Lignocellulose Cell Wall.” (2020) Front Microbiol 11:1389. DOI: 3389/fmicb.2020.01389.
• Shah, R., Bhagia, S., Keum, J.K., Pingali, S.V., Ragauskas, A.J., Davison, B.H., and O’Neill, H. “Structural Insights into Low and High Recalcitrance Natural Poplar Variants Using Neutron and X-ray Scattering.” (2020) ACS Sustainable Chem. Eng. 8:13838-13849. DOI: 1021/acssuschemeng.0c05251.

• Vural, D., “Dynamics of Lignin: Molecular Dynamics and Neutron Scattering” In Understanding Lignocellulose: Synergistic Computational and Analytic Methods, ACS Symposium Series 1338, Ed. Micholas Dean Smith, Chapter 4, 49–67, ACS Publications, Washington D.C. (2019).
• Patri, A., Mostofian, B., Pu, Y., Ciaffone, N., Soliman, M., Tetard, L., Smith, M. D., Cheng, X., Kumar, ,Ragauskas, A. J., Wyman, C. E., Smith, J. C., Petridis, L., Cai, C. M. “A Multifunctional Cosolvent Pair Reveals Molecular Principles of Biomass Deconstruction.” (2019) J. Am. Chem. Soc.141 (32), 12545–12557.
• Ding, J., Yoo, C. G., Pu, Y., Meng, X., Bhagia, S., Yu, C., Ragauskas, A. J. “Cellulolytic Enzyme- Aided Hemicellulose Extraction and Its Characteristics from Switchgrass.” (2019) Green Chemistry 21:3902–3910.
• Vermaas, J. V., Petridis, L., Ralph, J., Crowley, M. F. and Beckham, G. T. “Systematic parameterization of lignin for the CHARMM force field.” (2019) Green Chemistry 21:109–122.
• Kothari, N., Bhagia, S., Zaher, M., Pu, Y., Mittal, A., Yoo, C. G., Himmel, M. E., Ragauskas, A. J., Kumar, R., Wyman, C. E. “Cellulose Hydrolysis by Clostridium Thermocellum is Agnostic to Substrate Structural Properties in Contrast to Fungal Cellulases” (2019) Green Chemistry 21(10):2810–2822.
• Paeslack, Smith, J. C., Heyden, M., Schaefer, L. V. “Hydration-Mediated Stiffening of Collective Membrane Dynamics by Cholesterol.” (2019) Physical Chemistry Chemical Physics 21(20):10370–10376.
• Evans, B. R., Foston, M., O’Neill, H. M., Reeves, D., Rempe, C., McGrath, K., Ragauskas, A. J., and Davison, B. H. “Production of Deuterated Biomass by Cultivation of Lemna minor (duckweed) in D₂O.” (2019) Planta 249:1465–1475.
• Shah, R., Huan, S., Pingali, S. V., Sawada, D., Kim, S., Evans, B. R., Davison, B. H., O’Neill, H.“Hemicellulose-Cellulose Composites Reveal Differences in Cellulose Organization After Dilute Acid” (2019) Biomacromolecules 20(2):893–903.

• Petridis, L., Smith, J. C. “Molecular-level Driving Forces in Lignocellulosic Biomass Deconstruction for Bioenergy.“(2018) Nature Reviews Chemistry 2:382–389.
• Satlewal A., Agrawal R., Bhagia S., Sangoro J., and Ragauskas A.J., “Natural Deep Eutectic Solvents for Lignocellulosic Biomass Pretreatment: Recent Developments, Challenges and Novel Opportunities.” (2018) Biotechnol. Adv. 36(8):2032–2050.
• Bhagia, S., Meng, X., Evans, B.R., JR Dunlap, J.R., Bali, G., Chen, J., Reeves, K.S., Ho, HCH., Davison, B.H., Ragauskas, A.J. ‘Ultrastructure and Enzymatic Hydrolysis of Deuterated Switchgrass.” (2018) Rep. 8:13226
• Vural, D., Smith, J.C., L Petridis, L. “Dynamics of the Lignin Glass Transition.” (2018) Phys. Chem. Chem. Phys. 20:20504-20512.
• Vural, D., Smith J.C., Glyde, H. “Determination of Dynamical Heterogeneity from Dynamic Neutron Scattering of Proteins.” (2018) J. 114:2397-2407.
• Smith, M.D., Cai, C., Cheng, X., Petridis, L., Smith, J.C. “Phase-dependent solvation of xylan in tetrahydrofuran-water enables synergistic processing of lignocellulosic biomass.” (2018) Green Chem. 20:1602-1620.
• Smith, J.C., Tan, P., Petridis, L., Hong, L. “Dynamic Neutron Scattering by Biological Systems.” (2018) Rev. Biophysics 47:335-354.
• Vural, D., Gainaru, C., O’Neill, H., Pu, Y., Smith, MD., Pingali, S.V.,  Mamontov, E., Davison, B.H., Sokolov, A.P., Ragauskas, A.J., Smith, J.C., Petridis, L. “Impact of hydration and temperature history on the structure and dynamics of lignin.” (2018) Green Chem. 20:1602-1611.
• Sawada, D., Kalluri, U., O’Neill, H., Urban, V., Langan, P., Davison, B.H, Pingali, SV. “Tension wood structure and morphology conducive for better enzymatic digestion.” (2018) Biofuels 11:44.
• Kumar, R., Bhagia, S., Smith, M.D., Petridis, L., Ong, R., Cai, C.M., Mittal, A., Himmel, M.E., Balan, V., Dale, B.D., Ragauskas, A.J., Smith, J.C., Wyman, C.E. “Cellulose-Hemicellulose Interactions at Elevated Temperatures Increase Cellulose Recalcitrance to Biological Conversion.” (2018) Green Chem. 20:921-934.
• Moyer, P., Smith M.D., Abdoulmoumine, M., Chmely, S.C., Smith, J.C., Petridis, L., Labbé, N. “Relationship between lignocellulosic biomass solubilization and physicochemical properties of ionic liquids composed of 3-methylimidazolium cations and carboxylate anions.” (2018) Chem. Chem. Phys. 20:2508-2516.
• Meng, X., Pu, Y., Sannigrahi, P., Li, M., Cao, S., Ragauskas, A.J. “The nature of hololignin.” (2018) ACS Sust. Chem. Eng. 6(1):957-964.

• Smith, M.D., Cheng, X., Petridis, L., Mostofian, B., Smith, J.C. “Organosolv-Water Cosolvent Phase Separation on Cellulose and its Influence on the Physical Deconstruction of Cellulose: A Molecular Dynamics Analysis.” (2017) Rep. 7 (1):14494.
• Evans, B.R., Bali, G., Ragauskas, A.J., Shah, R., O’Neill, H., Howard, C.,  Lavenhouse, F., Ramirez, D., Weston, K., Ramey, K., Cangemi, V., Kinney, B., Partee, C., Ware, T., Davison, B.H. “Alleopathic effects of exogenous phenylalanine: A comparison of four monocot species.” (2017) Planta 246 (4):673 – 685.
• Meng, X., Evans, B.R., Yoo, C.G., Pu, Y., Davison, B.H., Ragauskas, A.J. “Effect of in Vivo Deuteration on Structure of Switchgrass Lignin.” (2017) ACS Sust. Chem. Eng. 5(9):8004 – 8010.
• O’Neill, H., Pingali, S.V., Petridis, L., He, J., Evans, B.R., Mamontov, E., Hong, L., Urban, V., Langan, P., Smith, J.C., Davison, B.H. “Dynamics of water bound to crystalline cellulose.” (2017) Rep. 7:11840.
• Goodell, B., Zhu. Y., Kim, S., Kafle, K., Eastwood, D., Daniel, G., Jellison, J., Yoshida, M., Groom, L., Pingali, S.V., O’Neill, H. “Modification of the nanostructure of lignocellulose cell walls via a non-enzymatic lignocellulose deconstruction system in brown-rot wood decay fungi.” (2017) Biofuels 10:179.
• Pingali, S.V., Urban, V.S., Heller, W.T., McGaughey, J., O’Neill, H., Foston, M.B., Li, H., Wyman, C.E., Myles, D.A., Langan, P., Ragauskas, A.J., Davison, B.H., Evans, B.R. “Understanding Multiscale Structural Changes During Dilute Acid Pretreatment of Switchgrass and Poplar.” (2017) ACS Sust. Chem. Eng 5(1):426 -435.

• Available upon request