DeJaco, R. F.; Majikes, J. M.; Liddle, J. A.; Kearsley, A. J. Binding, Brightness, or Noise? Extracting Temperature-dependent Properties of Dye Bound to DNA. Biophys. J. 122, 1364—1375 (2023). doi:10.1016/j.bpj.2023.03.002, (Free download from author share-link until May 5, 2023).
DeJaco, R. F.; Loprete, K.; Pennisi, K.; Majumdar, S.; Siepmann, J. I.; Daoutidis, P.; Murnen, H. K.; Tsapatsis, M. Modeling and Simulation of Gas Separations with Spiral-Wound Membranes. AIChE J. 66, e16274, (2020). doi:10.1002/aic.16274
Eggimann, B. L.; Sun, Y.; DeJaco, R. F.; Singh, R.; Ahsan, M.; Josephson, T. R.; Siepmann, J. I. Assessing the Quality of Molecular Simulations for Vapor—Liquid Equilibria: An Analysis of the TraPPE Database. J. Chem. Eng. Data 65, 1330—1344 (2020). doi:10.1021/acs.jced.9b00756
DeJaco, R. F.; Dorneles de Mello, M.; Nguyen, H. G. T.; Jeon, M. Y.; van Zee, R. D.; Tsapatsis, M.; Siepmann, J. I. Vapor and Liquid Phase Adsorption of Alcohol and Water in Silicalite-1 Synthesized in Fluoride Media. AIChE J. 66, e16868 (2020). doi:10.1002/aic.16868
Sun, Y.; DeJaco, R. F.; Siepmann, J. I. Deep Neural Network Learning of Complex Binary Sorption Equilibria from Molecular Simulation Data. Chem. Sci. 10, 4377—4388 (2019). Cover article. doi:10.1039/C8SC05340E
Josephson, T. R.; DeJaco, R. F.; Pahara, S.; Ren, L.; Guo, Q.; Tsapatsis, M.; Siepmann, J. I.; Vlachos, D. G.; Caratzoulas, S. Cooperative Catalysis by Surface Lewis Acid/Silanol for Selective Fructose Etherification on Sn-SPP Zeolite ACS Catal. 8, 9056—9065 (2018) doi:10.1021/acscatal.8b01615
DeJaco, R. F.; Elyassi, B.; Dorneles de Mello, M.; Mittal, N.; Tsapatsis, M.; Siepmann, J. I. Understanding the Unique Sorption of Alkane-1,n-Diols in Silicalite-1. J. Chem. Phys. 149, 072231 (2018) doi:10.1063/1.5026937
Farzaneh, A.; DeJaco, R. F.; Ohlin, L.; Holmgren, A.; Siepmann, J. I.; Grahn, M. Comparative Study of the Effect of Defects on Selective Adsorption of Butanol from Butanol/Water Binary Vapor Mixtures in Silicalite-1 Films. Langmuir 33, 8420—8427 (2017). doi:10.1021/acs.langmuir.7b02097
Jeon, M. Y.; Kim, D.; Kumar, P.; Lee, P. S.; Rangnekar, N.; Bai, P.; Shete, M.; Elyassi, B.; Lee, H. S.; Narasimharao, K.; Basahel, S. N.; Al-Thabaiti, S.; Xu, W.; Cho, H. J.; Fetisov, E. O.; Thyagarajan, R.; DeJaco, R. F.; Fan, W.; Mkhoyan, K. A.; Siepmann, J. I.; Tsapatsis, M. Ultra-Selective High-Flux Membranes from Directly Synthesized Zeolite Nanosheets. Nature 543, 690—694 (2017). doi:10.1038/nature21421
Nguyen, H.; DeJaco, R. F.; Mittal, N.; Siepmann, J. I.; Tsapatsis, M.; Snyder, M. A.; Fan, W.; Saha, B.; Vlachos, D. G.; A Review of Biorefinery Separations for Bioproduct Production via Thermocatalytic Processing. Annu. Rev. Chem. Biomol. Eng. 8, 115—137 (2017). doi:10.1146/annurev-chembioeng-060816-101303
Chen, Q. P.; Chu, J. D.; DeJaco, R. F.; Lodge, T. P.; Siepmann, J. I. Molecular Simulation of Olefin Oligomer Blend Phase Behavior. Macromolecules 49, 3975—3985 (2016). doi:10.1021/acs.macromol.6b00394
DeJaco, R. F.; Bai, P.; Tsapatsis, M.; Siepmann, J. I. Adsorptive Separation of 1-Butanol from Aqueous Solutions Using MFI- and FER-Type Zeolite Frameworks. Langmuir 32, 2093—2101 (2016). doi:10.1021/acs.langmuir.5b04483