Research graph
References from Intrinsic Ion Properties Regulate Metal Binding and Supramolecular Assembly in Humic Acid Systems. Local targets link to admitted publications; unresolved targets remain external evidence.
Metal ion binding by humic substances as emergent functions of labile supramolecular assemblies
10.1071/en19198 · 2020 · External reference
Multi-scale mechanisms and environmental implications of dissolved organic matter–metal ions interactions in aquatic environments: A review
10.1016/j.watres.2025.124563 · 2026 · External reference
Natural organic matter–cations complexation and its impact on water treatment: A critical review
10.1016/j.watres.2019.05.064 · 2019 · External reference
Molecular insights into the interaction mechanism underlying the aggregation of humic acid and its adsorption on clay minerals
10.1021/acs.est.3c01493 · 2023 · External reference
Nanoscale insights into the interaction mechanism underlying the adsorption and retention of heavy metal ions by humic acid
10.1021/acs.est.3c08309 · 2024 · External reference
Coagulation mechanisms of humic acid in metal ions solution under different pH conditions: A molecular dynamics simulation
10.1016/j.scitotenv.2019.135072 · 2020 · External reference
Understanding the effect of pH on the solubility and aggregation extent of humic acid in solution by combining simulation and the experiment
10.1021/acs.est.1c05938 · 2022 · External reference
Influence of Pb(II) ions on the EPR properties of the semiquinone radicals of humic acids and model compounds: High field EPR and relativistic DFT studies
10.1021/jp906289d · 2009 · External reference
Lead binding to soil fulvic and humic acids: NICA-Donnan modeling and XAFS spectroscopy
10.1021/es402123v · 2013 · External reference
Effective affinity distribution for the binding of metal ions to a generic fulvic acid in natural waters
10.1021/es803006p · 2009 · External reference
Proton and copper binding to humic acids analyzed by XAFS spectroscopy and isothermal titration calorimetry
10.1021/acs.est.7b06281 · 2018 · External reference
Copper isotope fractionation during complexation with insolubilized humic acid
10.1021/es1017653 · 2010 · External reference
Effect of metal ions on the indigenous radicals of humic acids: High field electron paramagnetic resonance study
10.1021/es101708f · 2010 · External reference
Pb(II) binding to humic substances: An equilibrium and spectroscopic study
10.1021/es400999q · 2013 · External reference
Spectroscopic study of interactions of lead(II) ions with dissolved organic matter: Evidence of preferential engagement of carboxylic groups
10.1016/j.gca.2017.06.014 · 2017 · External reference
Structural response of humic acid upon binding with lead: A spectroscopic insight
10.1016/j.scitotenv.2018.06.229 · 2018 · External reference
Deciphering the specific interaction of humic acid with divalent cations at the nanoscale
10.1016/j.cej.2023.144097 · 2023 · External reference
Thermodynamics of Hg(II) bonding to thiol groups in Suwannee River natural organic matter resolved by competitive ligand exchange, Hg LIII-edge EXAFS and 1H NMR spectroscopy
10.1021/acs.est.8b00919 · 2018 · External reference
Relating Cd2+ binding by humic acids to molecular weight: A modeling and spectroscopic study
10.1016/j.jes.2017.11.028 · 2018 · External reference
Cadmium isotope fractionation during complexation with humic acid
10.1021/acs.est.1c00646 · 2021 · External reference
Cadmium, lead, and copper binding to humic acid and fulvic acid extracted from an ombrotrophic peat bog
10.1016/j.geoderma.2005.12.003 · 2006 · External reference
Ion binding to natural organic matter: General considerations and the NICA–Donnan model
10.1016/j.colsurfa.2004.11.050 · 2005 · External reference
Molecular modeling to elucidate the dynamic interaction process and aggregation mechanism between natural organic matters and nanoplastics
10.1016/j.eehl.2024.08.004 · 2025 · External reference
Multi-scale modeling of natural organic matter–heavy metal cations interactions: Aggregation and stabilization mechanisms
10.1016/j.watres.2023.120007 · 2023 · External reference
Systematic studies on the binding of metal ions in aggregates of humic acid: Aggregation kinetics, spectroscopic analyses and MD simulations
10.1016/j.envpol.2019.01.007 · 2019 · External reference
Copper binding to soil fulvic and humic acids: NICA-Donnan modeling and conditional affinity spectra
10.1016/j.jcis.2016.03.066 · 2016 · External reference
Adsorption of Cu(II) on humic acids derived from different organic materials
10.1016/s2095-3119(13)60682-6 · 2015 · External reference
The contentious nature of soil organic matter
10.1038/nature16069 · 2015 · External reference
Forward modeling of metal complexation by NOM: II. Prediction of binding site properties
10.1021/es102408w · 2011 · External reference
Supramolecular architectures of natural organic matter
10.1016/j.scitotenv.2019.03.406 · 2019 · External reference
Humic substances: From supramolecular aggregation to fractal conformation is there time for a new paradigm?
10.3390/app13042236 · 2023 · External reference
Contrasting fate and binding behavior of Mn and Cu with dissolved organic matter during in situ remediation using multicomponent capping in malodorous black water
10.1016/j.watres.2024.121288 · 2024 · External reference
Coagulation behavior of humic acid in aqueous solutions containing Cs+, Sr2+ and Eu3+: DLS, EEM and MD simulations
10.1016/j.envpol.2018.02.019 · 2018 · External reference
Enhancing surface interactions between humic surfactants and cupric ion: DFT computations coupled with MD simulations study
10.1016/j.molliq.2020.114781 · 2021 · External reference
A DFT study of fulvic acid binding with bivalent metals: Cd, Cu, Mg, Ni, Pb, Zn
10.1016/j.jmgm.2020.107800 · 2021 · External reference
Force fields and molecular dynamics simulations
10.1051/sfn/201112009 · 2011 · External reference
Fragmentation methods: A route to accurate calculations on large systems
10.1021/cr200093j · 2012 · External reference
Hard soft acids bases (HSAB) principle and organic chemistry
10.1021/cr60293a001 · 1975 · External reference
Unresolved reference
External reference
Generic NICA–Donnan model parameters for metal-ion binding by humic substances
10.1021/es0258879 · 2003 · External reference
Conditional affinity spectra of Pb2+–humic acid complexation from data obtained with AGNES
10.1021/es8021123 · 2008 · External reference
A simplified representation of the chemical nature and reactions of soil humus
10.2134/jae1989.0084 · 1989 · External reference
gmx_MMPBSA: A new tool to perform end-state free energy calculations with GROMACS
10.1021/acs.jctc.1c00645 · 2021 · External reference
Unresolved reference
External reference
Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions
10.1021/jp810292n · 2009 · External reference
Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems
10.1002/jcc.26812 · 2022 · External reference
Multiwfn: A multifunctional wavefunction analyzer
10.1002/jcc.22885 · 2012 · External reference
Explanation of machine learning models using Shapley additive explanation and application for real data in hospital
10.1016/j.cmpb.2021.106584 · 2022 · External reference
An introduction to variable and feature selection
2003 · External reference
Scikit-learn: Machine learning in Python
2011 · External reference
Bootstrap methods: Another look at the jackknife
10.1214/aos/1176344552 · 1979 · External reference
Electrostatic interaction models for ion binding to humic substances
10.1016/j.colsurfa.2004.10.139 · 2005 · External reference
Derivatives of molecular surface area and volume: Simple and exact analytical formulas
10.1002/jcc.21844 · 2011 · External reference
Cation-mediated cross-linking in natural organic matter: A review
10.1007/s11157-011-9258-3 · 2012 · External reference
Local electron attachment energy and its use for predicting nucleophilic reactions and halogen bonding
10.1021/acs.jpca.6b10142 · 2016 · External reference
H-binding groups in lignite vs. soil humic acids: NICA-Donnan and spectroscopic parameters
10.1016/j.jcis.2008.12.023 · 2009 · External reference
Modeling the IR spectra of aqueous metal carboxylate complexes: Correlation between bonding geometry and stretching mode wavenumber shifts
10.1002/chem.201406516 · 2015 · External reference
X-ray absorption spectroscopic evidence for the complexation of Hg(II) by reduced sulfur in soil humic substances
10.1021/es980433q · 1999 · External reference
EXAFS study of the nature of zinc complexation sites in humic substances as a function of Zn concentration
10.1051/jp4:1997239 · 1997 · External reference
How does calcium drive the structural organization of iron–organic matter aggregates? A multiscale investigation
10.1039/d0en00412j · 2020 · External reference
Hydrated metal ions in aqueous solution: How regular are their structures?
10.1351/pac-con-09-10-22 · 2010 · External reference
Aggregation kinetics of humic acids in the presence of calcium ions
10.1016/j.colsurfa.2013.03.030 · 2013 · External reference
Molecular dynamics simulations of the standard Leonardite humic acid: Microscopic analysis of the structure and dynamics
10.1021/acs.est.7b00266 · 2017 · External reference
Composition, particle size, charge, and colloidal stability of pH-fractionated humic acids
10.1007/s11368-015-1142-2 · 2015 · External reference
Influence of divalent heavy metals on the aggregation of humic acids: Hofmeister effects
10.1016/j.chemosphere.2020.127701 · 2020 · External reference
Coagulation kinetics of humic aggregates in mono- and di-valent electrolyte solutions
10.1021/es304993j · 2013 · External reference
A comparison of characterisation and modelling approaches to predict dissolved metal concentrations in soils
10.1071/en23075 · 2024 · External reference
Vulnerability of mineral–organic associations in the rhizosphere
10.1038/s41467-025-61273-4 · 2025 · External reference
Modeling the equilibrium and kinetics of heavy metals reactions with dissolved organic matter
10.1016/j.apgeochem.2025.106300 · 2025 · External reference
Modeling the IR spectra of aqueous metal carboxylate complexes: Correlation between bonding geometry and stretching mode wavenumber shifts
10.1002/chem.201406516 · ExternalCitation · doi-reference
Derivatives of molecular surface area and volume: Simple and exact analytical formulas
10.1002/jcc.21844 · ExternalCitation · doi-reference
Multiwfn: A multifunctional wavefunction analyzer
10.1002/jcc.22885 · ExternalCitation · doi-reference
Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems
10.1002/jcc.26812 · ExternalCitation · doi-reference
Cation-mediated cross-linking in natural organic matter: A review
10.1007/s11157-011-9258-3 · ExternalCitation · doi-reference
Composition, particle size, charge, and colloidal stability of pH-fractionated humic acids
10.1007/s11368-015-1142-2 · ExternalCitation · doi-reference
Modeling the equilibrium and kinetics of heavy metals reactions with dissolved organic matter
10.1016/j.apgeochem.2025.106300 · ExternalCitation · doi-reference
Deciphering the specific interaction of humic acid with divalent cations at the nanoscale
10.1016/j.cej.2023.144097 · ExternalCitation · doi-reference
Influence of divalent heavy metals on the aggregation of humic acids: Hofmeister effects
10.1016/j.chemosphere.2020.127701 · ExternalCitation · doi-reference
Explanation of machine learning models using Shapley additive explanation and application for real data in hospital
10.1016/j.cmpb.2021.106584 · ExternalCitation · doi-reference
Electrostatic interaction models for ion binding to humic substances
10.1016/j.colsurfa.2004.10.139 · ExternalCitation · doi-reference
Ion binding to natural organic matter: General considerations and the NICA–Donnan model
10.1016/j.colsurfa.2004.11.050 · ExternalCitation · doi-reference
Aggregation kinetics of humic acids in the presence of calcium ions
10.1016/j.colsurfa.2013.03.030 · ExternalCitation · doi-reference
Molecular modeling to elucidate the dynamic interaction process and aggregation mechanism between natural organic matters and nanoplastics
10.1016/j.eehl.2024.08.004 · ExternalCitation · doi-reference
Coagulation behavior of humic acid in aqueous solutions containing Cs+, Sr2+ and Eu3+: DLS, EEM and MD simulations
10.1016/j.envpol.2018.02.019 · ExternalCitation · doi-reference
Systematic studies on the binding of metal ions in aggregates of humic acid: Aggregation kinetics, spectroscopic analyses and MD simulations
10.1016/j.envpol.2019.01.007 · ExternalCitation · doi-reference
Spectroscopic study of interactions of lead(II) ions with dissolved organic matter: Evidence of preferential engagement of carboxylic groups
10.1016/j.gca.2017.06.014 · ExternalCitation · doi-reference
Cadmium, lead, and copper binding to humic acid and fulvic acid extracted from an ombrotrophic peat bog
10.1016/j.geoderma.2005.12.003 · ExternalCitation · doi-reference
H-binding groups in lignite vs. soil humic acids: NICA-Donnan and spectroscopic parameters
10.1016/j.jcis.2008.12.023 · ExternalCitation · doi-reference
Copper binding to soil fulvic and humic acids: NICA-Donnan modeling and conditional affinity spectra
10.1016/j.jcis.2016.03.066 · ExternalCitation · doi-reference
Relating Cd2+ binding by humic acids to molecular weight: A modeling and spectroscopic study
10.1016/j.jes.2017.11.028 · ExternalCitation · doi-reference
A DFT study of fulvic acid binding with bivalent metals: Cd, Cu, Mg, Ni, Pb, Zn
10.1016/j.jmgm.2020.107800 · ExternalCitation · doi-reference
Enhancing surface interactions between humic surfactants and cupric ion: DFT computations coupled with MD simulations study
10.1016/j.molliq.2020.114781 · ExternalCitation · doi-reference
Structural response of humic acid upon binding with lead: A spectroscopic insight
10.1016/j.scitotenv.2018.06.229 · ExternalCitation · doi-reference
Supramolecular architectures of natural organic matter
10.1016/j.scitotenv.2019.03.406 · ExternalCitation · doi-reference
Coagulation mechanisms of humic acid in metal ions solution under different pH conditions: A molecular dynamics simulation
10.1016/j.scitotenv.2019.135072 · ExternalCitation · doi-reference
Natural organic matter–cations complexation and its impact on water treatment: A critical review
10.1016/j.watres.2019.05.064 · ExternalCitation · doi-reference
Multi-scale modeling of natural organic matter–heavy metal cations interactions: Aggregation and stabilization mechanisms
10.1016/j.watres.2023.120007 · ExternalCitation · doi-reference
Contrasting fate and binding behavior of Mn and Cu with dissolved organic matter during in situ remediation using multicomponent capping in malodorous black water
10.1016/j.watres.2024.121288 · ExternalCitation · doi-reference
Multi-scale mechanisms and environmental implications of dissolved organic matter–metal ions interactions in aquatic environments: A review
10.1016/j.watres.2025.124563 · ExternalCitation · doi-reference
Adsorption of Cu(II) on humic acids derived from different organic materials
10.1016/s2095-3119(13)60682-6 · ExternalCitation · doi-reference
Cadmium isotope fractionation during complexation with humic acid
10.1021/acs.est.1c00646 · ExternalCitation · doi-reference
Understanding the effect of pH on the solubility and aggregation extent of humic acid in solution by combining simulation and the experiment
10.1021/acs.est.1c05938 · ExternalCitation · doi-reference
Molecular insights into the interaction mechanism underlying the aggregation of humic acid and its adsorption on clay minerals
10.1021/acs.est.3c01493 · ExternalCitation · doi-reference
Nanoscale insights into the interaction mechanism underlying the adsorption and retention of heavy metal ions by humic acid
10.1021/acs.est.3c08309 · ExternalCitation · doi-reference
Molecular dynamics simulations of the standard Leonardite humic acid: Microscopic analysis of the structure and dynamics
10.1021/acs.est.7b00266 · ExternalCitation · doi-reference
Proton and copper binding to humic acids analyzed by XAFS spectroscopy and isothermal titration calorimetry
10.1021/acs.est.7b06281 · ExternalCitation · doi-reference
Thermodynamics of Hg(II) bonding to thiol groups in Suwannee River natural organic matter resolved by competitive ligand exchange, Hg LIII-edge EXAFS and 1H NMR spectroscopy
10.1021/acs.est.8b00919 · ExternalCitation · doi-reference
gmx_MMPBSA: A new tool to perform end-state free energy calculations with GROMACS
10.1021/acs.jctc.1c00645 · ExternalCitation · doi-reference
Local electron attachment energy and its use for predicting nucleophilic reactions and halogen bonding
10.1021/acs.jpca.6b10142 · ExternalCitation · doi-reference
Fragmentation methods: A route to accurate calculations on large systems
10.1021/cr200093j · ExternalCitation · doi-reference
Hard soft acids bases (HSAB) principle and organic chemistry
10.1021/cr60293a001 · ExternalCitation · doi-reference
Generic NICA–Donnan model parameters for metal-ion binding by humic substances
10.1021/es0258879 · ExternalCitation · doi-reference
Effect of metal ions on the indigenous radicals of humic acids: High field electron paramagnetic resonance study
10.1021/es101708f · ExternalCitation · doi-reference
Copper isotope fractionation during complexation with insolubilized humic acid
10.1021/es1017653 · ExternalCitation · doi-reference
Forward modeling of metal complexation by NOM: II. Prediction of binding site properties
10.1021/es102408w · ExternalCitation · doi-reference
Coagulation kinetics of humic aggregates in mono- and di-valent electrolyte solutions
10.1021/es304993j · ExternalCitation · doi-reference
Pb(II) binding to humic substances: An equilibrium and spectroscopic study
10.1021/es400999q · ExternalCitation · doi-reference
Lead binding to soil fulvic and humic acids: NICA-Donnan modeling and XAFS spectroscopy
10.1021/es402123v · ExternalCitation · doi-reference
Conditional affinity spectra of Pb2+–humic acid complexation from data obtained with AGNES
10.1021/es8021123 · ExternalCitation · doi-reference
Effective affinity distribution for the binding of metal ions to a generic fulvic acid in natural waters
10.1021/es803006p · ExternalCitation · doi-reference
X-ray absorption spectroscopic evidence for the complexation of Hg(II) by reduced sulfur in soil humic substances
10.1021/es980433q · ExternalCitation · doi-reference
Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions
10.1021/jp810292n · ExternalCitation · doi-reference
Influence of Pb(II) ions on the EPR properties of the semiquinone radicals of humic acids and model compounds: High field EPR and relativistic DFT studies
10.1021/jp906289d · ExternalCitation · doi-reference
The contentious nature of soil organic matter
10.1038/nature16069 · ExternalCitation · doi-reference
Vulnerability of mineral–organic associations in the rhizosphere
10.1038/s41467-025-61273-4 · ExternalCitation · doi-reference
How does calcium drive the structural organization of iron–organic matter aggregates? A multiscale investigation
10.1039/d0en00412j · ExternalCitation · doi-reference
EXAFS study of the nature of zinc complexation sites in humic substances as a function of Zn concentration
10.1051/jp4:1997239 · ExternalCitation · doi-reference
Force fields and molecular dynamics simulations
10.1051/sfn/201112009 · ExternalCitation · doi-reference
Metal ion binding by humic substances as emergent functions of labile supramolecular assemblies
10.1071/en19198 · ExternalCitation · doi-reference
A comparison of characterisation and modelling approaches to predict dissolved metal concentrations in soils
10.1071/en23075 · ExternalCitation · doi-reference
Bootstrap methods: Another look at the jackknife
10.1214/aos/1176344552 · ExternalCitation · doi-reference
Hydrated metal ions in aqueous solution: How regular are their structures?
10.1351/pac-con-09-10-22 · ExternalCitation · doi-reference
A simplified representation of the chemical nature and reactions of soil humus
10.2134/jae1989.0084 · ExternalCitation · doi-reference
Humic substances: From supramolecular aggregation to fractal conformation is there time for a new paradigm?
10.3390/app13042236 · ExternalCitation · doi-reference
