2020
Exploring the Mechanisms of Selectivity for Environmentally Significant Oxo-Anion Removal during Water Treatment: A Review of Common Competing Oxo-Anions and Tools for Quantifying Selective Adsorption
Pincus L, Rudel H, Petrović P, Gupta S, Westerhoff P, Muhich C, Zimmerman J. Exploring the Mechanisms of Selectivity for Environmentally Significant Oxo-Anion Removal during Water Treatment: A Review of Common Competing Oxo-Anions and Tools for Quantifying Selective Adsorption. Environmental Science And Technology 2020, 54: 9769-9790. PMID: 32515947, PMCID: PMC10514893, DOI: 10.1021/acs.est.0c01666.Peer-Reviewed Original ResearchConceptsSelective adsorbentDensity functional theorySelective adsorptionSelectivity of materialsOxo anionsNovel adsorbentCompetitive adsorptionElectrostatic interactionsSurface complexationMechanism of selectivityAdsorptive competitionSteric hindranceAdsorbentFunctional theoryAdsorptionSorption sitesWater treatmentSelectivityPollutant removal potentialRemoval potentialComplexationMechanistic approachMaterialsBase hardnessHindrance
2016
Probabilistic diagram for designing chemicals with reduced potency to incur cytotoxicity
Shen L, Judson R, Melnikov F, Roethle J, Gudibanda A, Zimmerman J, Anastas P. Probabilistic diagram for designing chemicals with reduced potency to incur cytotoxicity. Green Chemistry 2016, 18: 4461-4467. DOI: 10.1039/c6gc01058j.Peer-Reviewed Original ResearchDensity functional theory