• 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. “Recent advances in biomass pretreatment using biphasic solvent system. Green Chemistry.” (2023) Green Chemistry 25: 2505 – 2523.
  • Annamraju, A., Rajan, K., Zuo, X., Long, B. K., Pingali, S. V., Elder, T. J., Labbé, N. “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 Physics158(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 (advance article published on line 12 October 2023). 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 Chemistry25(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 oleraceaSustainable Chemistry and Engineering 11(49): 17238-17248. DOI: 10.1021/acssuschemeng.3c04076
  • Gupta, M., Dupree, P., Petridis, L., Smith, J. C. Patterns in interactions of variably acetylated xylans with hydrophobic cellulose surfaces. Cellulose 30, 11323–11340 (2023). 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” (2022) 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. “Improved chemical and isotopic labeling of biomembranes in Bacillus subtilis by leveraging CRISPRi inhibition of beta-ketoacyl-ACP synthase (fabF).” (2022) 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) “Modelling 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. “Deuterium incorporation into cellulose: a mini-review of biological and chemical methods.” Cellulose(2022): 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



  • 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.