Refereed Journal

  • 2020
  • Kibler, R.; Mohrhardt, B.; Zhang, M.; Breitner, L.; Howe, K.; Minakata, D. A group contribution method to predict the mass transfer coefficients of organics through various RO membranes. Environmental Science & Technology. 2020. Accepted.  DOI: 10.1021/acs.est.9b06170
  • Zhang, M.; Breitner, L.; Howe, K. J.; Minakata, D. Role of interaction between low molecular weight neutral organic compounds and a polyamide RO membrane for the rejection mechanism. RSC Advances. 2020, 20, 15642-15649. DOI: 10.1039/D0RA01966F
  • Xiao, R.; Bai, L.; Liu, K.; Shi, Y.; Minakata, D.; Huang, C-H.; Spinney, R.; Seth, R.; Dionysious, D.D.; Wei, Z.; Sun, P. Elucidating sulfate radical-mediated disinfection profiles and mechanisms of Escherichia coli and Enterococcus Faecalis in municipal wastewater. Water Research. 2020, 173, 115552. DOI: 10.1016/j.watres.2020.115552
  • Zupko, R.; *Kamath, D.; *Coscarelli, E.; Rouleau, M.; Minakata, D. Agent-based model to predict the fate of the degradation of organic compounds in the aqueous-phase UV/H2O2 advanced oxidation process. Process Safety and Environmental Protection. 2020, 136, 49-55. DOI: 10.1016/j.psep.2020.01.023
  • 2019
  • Breitner, L.; Howe, K.; Minakata, D. Effects of functional chemistry on the rejection of low-MW neutral organics through reverse osmosis membranes for potable reuse. Environmental Science & Technology. 2019, 53(19), 11401-11409. DOI: 10.1021/acs.est.9b03856
  • Xiao, R.; Liu, K.; Bai, L.; Minakata, D.; Seo, Y.; Goktas, R.K.; Dionysiou, D.D.; Tang, C-J.; Wei, Z.; Spinney, R. Inactivation of pathogenic microorganisms by sulfate radical: Present and future. Chemical Engineering Journal. 2019, 371, 222-232. DOI: 10.1016/j.cej.2019.03.296
  • Gao, L.; Minakata, D.; Wei, Z.; Spinney, R.; Dionsiou, D.D.; Tang, C-J.; Chai, L.; Xiao, R. Mechanistic study on the role of soluble microbial products in sulfate radical-mediated degradation of pharmaceuticals. Environmental Science & Technology. 2019, 53, 342-353. DOI: 10.1021/acs.est.8b05129


  • 2018
  • Breitner, L.; Howe, K.; Minakata, D. Boron can be used to predict trace organic rejection through reverse osmosis membranes for potable reuse. Environmental Science & Technology. 2018, 52, 13871-13878. DOI:10.1021/acs.est.8b03390


  • Kamath, D.; Mezyk, S.; Minakata, D. Elucidating the elementary reaction pathways and kinetics of hydroxyl radical induced acetone degradation in aqueous phase advanced oxidation processes. Environ. Sci.& Technol. 2018, 52(14), 7763-7774, DOI: 10.1021/acs.est.8b00582


Featured in Water Canada on July 3, 2018, Lab Manager on June 29, 2018, and Science Daily on June 27, 2018,  

  • Kamath, D.; Minakata, D. Emerging Investigator Series: Ultraviolet and free chlorine aqueous-phase advanced oxidation process: Kinetic simulations and experimental validation. Environmental Science: Water Research & Technology, 2018, 4, 1231-1238. DOI: 10.1039/c8ew00196k


Published as emerging investigator series and special issue of UV based advanced oxidation processes: Emerging Investigator Series – Daisuke Minakata

  • Minakata, D.; Coscarelli, E. Mechanistic insight into the degradation of nitrosamines via aqueous-phase UV photolysis or a UV-based advanced oxidation process: Quantum mechanical calculations. Molecules, 2018, 23, 539. DOI: 10.3390/molecules23030539


  • Varanasi, L.; Coscarelli, E.; Khaksari, M.; Mazzoleni, L.R.; Minakata, D.Transformations of dissolved organic matter induced by UV photolysis, hydroxyl radicals, chlorine radicals, and sulfate radicals in aqueous-phase UV-based advanced oxidation processes. Water Research, 2018, 135, 22-30. DOI: 10.1016/j.watres.2018.02.015


  • Zhang, M.; Howe, K.J.; Minakata, D. Predicting the partitioning of organic compounds through polymer materials: Quantum mechanical applications. Journal of Environmental Engineering, 2018, 144(4),


  • 2017
  • Minakata, D.; Kamath, D.; Maetzold S. Mechanistic insight into the reactivity of chlorine-derived radicals in the aqueous-phase UV/chlorine advanced oxidation process: Quantum mechanical calcualtions. Environ. Sci. Technol. 2017, 51(12), 6918-6926.DOI: 10.1021/acs/est/7b00507


  • 2016
  • Bruggeman, P.; Kushner, M.; Locke, B.; Gardeniers, H.; Graham, B.; Graves, D.; Hofman-Caris, R.; Maric, D.; Reid, J.; Ceriani, E.; Fernandez Rivas, D.; Foster, J.; Garrick, S.; Gorbanev, Y.; Hamaguchi, S.; Iza, F.; Jablonowski, H.; Klimova, E.; Krcma, F.; Kolb, J.; Lukes, P.; Machala, Z.; Marinov, I.; Mariotti, D.; Mededovic Thagard, S.; Minakata, D.; Neyts, E.; Pawlat, J.; Petrovic, Z.; Pflieger, R.; Reuter, S.; Schram, D.; Schroeter, S., Shiraiwa, M.; Tarabova, B.; Tsai, P.; Verlet, J.; von Woedtke, T.; Wilson, K.; Yasui, B., Zverva, G. Plasma-liquid interactions: A review and roadmap, Plasma Sources Science and Technology, 2016, 25, 053002.DOI: PSST-101061.R1


This paper was selected as highlights of 2016 by Plasma Sources Science and Technology. The annual selection was made by the Associate Editors to represent the breadth and excellence of the work published in 2016.

  • Mostofa, K.M.G.; Lie, C.-Q.; Zhai, W.D.; Minella, M.; Vione, D.; Gao, K.; Minakata, D.; Arakaki, T.; Yoshioka, T.; Hayakawa, K.; Konohira, E.; Tanoue, E.; Akhand, A.; Chanda, A.; Wang, B.; Sakugawa, H. Reviews and syntheses: Ocean acidification and its potential impacts on marine ecosystems. Biogeosciences. 2016, 13, 1767-1786.DOI: 10.3390/molecules23030539


  • 2015
  • Minakata, D.; Song, W.; Mezyk, S.P.; Cooper, W.J. Experimental and theoretical studies on aqueous-phase reactivity of hydroxyl radicals with multiple carboxylated and hydroxylated benzene compounds. PCCP. 2015, 17, 11796-11812.DOI:10.1039/C5CP00861A


  • Guo, X.; Minakata, D.; Crittenden, J.C. On-the-fly kinetic Monte Carlo simulation of aqueous phase advanced oxidation processes. Environmental Science & Technology, 2015, 49(15), 9230-9236.DOI:10.1021/acs.est.5b02034


  • 2014
  • Minakata, D.; Mezyk, S.P.; Jones, J.W.; Daws, B.R.; Crittenden, J.C. Development of linear free energy relationships for aqueous phase radical-involved chemical reactions. Environ. Sci. Technol. 2014, 48, 13925-13932.DOI:10.1021/es504491z


  • Guo, X.; Minakata, D.; Crittenden, J. Computer-based first-principles kinetic monte carlo simulation of polyethylene glycol degradation in aqueous phase UV/H2O2 advanced Oxidation Processes. Environ. Sci. Technol. 2014, 48 (18), 10813-10820.DOI:10.1021/es5029553


  • Xing, L.; Xie, Y.; Minakata, D.; Cao, H.; Xiao, J.; Zhang, Y.; Crittenden, J.C. Activated carbon enhanced ozonation of oxalate attributed to HOŸ oxidation in bulk solution and surface oxidation: Effect of activated carbon dosage and pH. J. Environ. Sciences. 2014, 26, 2095-2105.DOI:10.1016/j.jes.2014.08.009


  • Zhang, G.; Zhang, W.; Crittenden, J.C.; Minakata, D.; Chen, Y.; Wang, P. Effects of inorganic electron donors in photocatalytic hydrogen production over (CuAg)xIn2xZn2(1-2x)S2 under visible light irradiation. Journal of Renewable and Sustainable Energy. 2014, 6, 033131. DOI:10.1063/1.4884197


  • Guo, X.; Minakata, D.; Junfeng, N.; Crittenden, J.C. Computer-based first-principles kinetic modeling of degradation pathways and byproduct fates in aqueous phase advanced oxidation processes. Environ. Sci. & Technol. 2014, 48 (10), 5718-5725.DOI:10.1021/es500359g


  • Zhang, G.; Zhang, W. Minakata, D.; Wang, P.; Chen, Y.; Crittenden, J.C. Efficient photocatalytc H2 production using visible-light irradiation and (CuAg)xIn2xZn2(1-2x)S2 photocatalysts with tunable band gaps. International Journal of Energy Research, 2014.DOI:10.1002/er.3157


  • Xing, L.; Xie, Y.; Cao, H.; Minakata, D.; Zhang, Y.; Crittenden, J.C. Activated carbon-enhanced ozonation of oxalate attributed to HO• oxidation in bulk solution and surface oxidation: Effects of the type and number of basic sites. Chemical Engineering Journal, 2014, 245, 71-79.DOI:10.1016/j.cej.2014.01.104


  • Cao, H.; Xing, L.; Wu, G.; Xie, S.; Zhang, S.Y.; Minakata, D.; Crittenden, J.C. Promoting effect of nitration modification on activated carbon in the catalytic ozonation of oxalic acid. Applied Catalysis B: Environmental. 2014, 146, 169-176.DOI:10.1016/j.apcatb.2013.05.006


  • 2013
  • Guo, X.; Minakata, D.; Crittenden, J.C. Development of simplified pseudo-steady state and pseudo-steady state models for advanced oxidation processes. 2013. Center for Sustainable Engineering Educational Module. November. Development of simplified first principle models for advanced oxidation processes


  • Zhang, G.; Zhang, W.; Crittenden, J.C.; Chen, Y.; Minakata, D.; Wang, P. Photocatalytic hydrogen production under visible light irradiation on (CuAg)0.15In0.3Zn1.4S2 synthesized by precipitation and calcination. Chinese Journal of Catalysis. 2013, 34 (10), 1926-1935.DOI:10.1016/S1872-2067(12)60675-5


  • Zhang, G.; Zhang, W.; Minakata, D.; Chen, Y.; Wang, P.; Crittenden, J. The pH Effects on H2 Evolution Kinetics for Visible Light Water Splitting over the Ru/(CuAg)0.15In0.3Zn1.4S2 Photocatalyst. International J. Hydrogen Energy, 2013, 38 (27). 11727-11736.DOI:10.1016/j.ijhydene.2013.06.140


  • Sun, P.; Yao, H.; Minakata, D.; Crittenden, J.C.; Pavlostathis, P.; Huang, C-H. Acid-catalyzed transformation of ionophore veterinary antibiotics. Environ. Sci. Technol.2013, 47, 6781-6789.DOI:10.1021/es3044517


  • Yao, H.; Sun, P.; Minakata, D.; Crittenden, J.C.; Huang, C-H. Kinetics and Modeling of Degradation of Ionophore Antibiotics by UV and UV/H2O2. Environ. Sci. Technol.2013, 47, 4581-4589.DOI:10.1021/es3052685


  • Zhang, G.; Zhang, W.; Wang, P.; Minakata, D.; Chen, Y.; Crittenden, J. Stability of an H2-producing photocatalyst (Ru/(CuAg)0.15In0.3Zn1.4S2) in aqueous solution under visible light irradiation. International J. Hydrogen Energy, 2013, 38, 1286-1296.DOI:10.1016/j.ijhydene.2012.11.033


  • 2011
  • Cooper, N.; Minakata, D.; Begovic, M.; Crittenden, J. "Should we consider using liquid fluoride thorium reactors for power generation?" Environ. Sci. Technol. 2011, 45 (15), 6237-6238.DOI:10.1021/es2021318


  • Minakata, D.; Song, W.; Crittenden, J. "Reactivity of aqueous phase hydroxyl radical with halogenated carboxylate anions: Experimental and theoretical studies". Environ. Sci. Technol. 2011, 45, 6057-6065.DOI:10.1021/es200978f


  • Minakata, D.; Crittenden, J. Linear Free Energy Relationships between the Aqueous Phase Hydroxyl Radical (HO•) Reaction Rate Constants and the Free Energy of Activation. Environ. Sci. & Technol. 2011, 45, 3479-3486.DOI:10.1021/es1020313


  • 2009
  • Minakata, D.; Li, K.; Westerhoff, P.; Crittenden, J. Development of a group contribution method to predict aqueous phase hydroxyl radical (HO•) reaction rate constants. Environ. Sci. & Technol. 2009, 43, 6220-6227.DOI:10.1021/es900956c


Professor Hartmut Herrmann (Professor of Atmospheric Chemistry and the head of the Chemistry Department of the Leibniz Institute for Tropospheric Research and a member of both the Faculties of Physics and Chemistry of the University of Leipzig in Germany) addressed the Group Contribution Method (GCM) tool in his 2010 review paper (ChemPhysChem, 2010, 11, 3796-3822), stating, “The wide application range in combination with the user-friendliness makes it probably the best currently available estimation tool for OH radical reactions in aqueous solution. Overall, the method of Minakata et al. is currently the most broadly usable method for the prediction of OH radical reaction rates in aqueous solution.”

Professor Urs von Gunten (Eawag, Swiss Federal Institute of Aquatic Science and Technology) referred to the GCM for HO radical rate constant predictions as "sophisticated estimation methods for HO radical rate constants" and used the GCM to calculate 29 HO radical reaction rate constants emerging organic contaminants and obtained an accuracy of difference of factor of 2 from experimental values (Wat. Res. 2012, 46, 6177-6195).

  • Westerhoff, P.; Moon, H.; Minakata, D.; Crittenden, J.C. Oxidation of organics in retentates from reverse osmosis wastewater reuse facilities. Wat. Res. 2009, 43(16), 3992-3998.DOI:10.1016/j.watres.2009.04.010


  • 2008
  • Li, K.; Hokanson, D.R.; Crittenden, J.C.; Trussell, R.R.; Minakata, D. Evaluating UV/H2O2 processes for methyl tert-butyl ether and tertiary butyl alcohol removal: Effect of pretreatment options and light sources. Wat. Res. 2008, 42, 5045-5053.DOI:10.1016/j.watres.2008.09.017


  • 2007
  • Westerhoff, P.; Mezyk, S.P.; Cooper, W.J.; Minakata, D. Electron pulse radiolysis determination of hydroxyl radical rate constants with Suwannee river fulvic acid and other dissolved organic matter isolates. Environ. Sci. & Technol. 2007, 41, 4610-4646.DOI:10.1021/es062529n


  • 2006
  • Kishimoto, N.; Minakata, D.; Somiya, I. Effect of hydrodynamic condition on radical production at Ti/Pt anode in electrochemical treatment. Environmental Technology, 2006, 26, 1161-1171.DOI:10.1080/09593332608618480



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