The hydrogen bond acidity and other descriptors for oximes

Michael H. Abraham, Javier Gil-Lostes, J. Enrique Cometto-Muňiz, William S. Cain, Colin F. Poole, Sanka N. Atapattu, Raymond J. Abraham and Paul Leonard

New J. Chem., 2009, 33, 76
DOI: 10.1039/B811688A

Gas-phase cleanup method for analysis of trace atmospheric semivolatile organic compounds by thermal desorption from diffusion denuders

Mark D. Rowe and Judith A. Perlinger

Journal of Chromatography A, 2009, 1216, 5940
DOI: 10.1016/j.chroma.2009.06.034

Determination of LFER Descriptors of 30 Cations of Ionic Liquids—Progress in Understanding Their Molecular Interaction Potentials

Chul‐Woong Cho, Christian Jungnickel, Stefan Stolte, Ulrich Preiss, Jürgen Arning, Johannes Ranke, Ingo Krossing and Jorg Thöming

ChemPhysChem, 2012, 13, 780
DOI: 10.1002/cphc.201100872

Estimating Phospholipid Membrane–Water Partition Coefficients Using Comprehensive Two-Dimensional Gas Chromatography

A. Patricia Tcaciuc, Robert K. Nelson, Christopher M. Reddy and Philip M. Gschwend

Environ. Sci. Technol., 2012, 46, 3449
DOI: 10.1021/es203792e

Assessment of atmospheric distribution of polychlorinated biphenyls and polycyclic aromatic hydrocarbons using polyparameter model

Maja Turk-Sekulic, Jelena Radonic, Mirjana Vojinovic-Miloradov, Nevena Senk and Marija Okuka

Hem Ind, 2011, 65, 371
DOI: 10.2298/HEMIND101013046T

General Model for Estimating Partition Coefficients to Organisms and Their Tissues Using the Biological Compositions and Polyparameter Linear Free Energy Relationships

Satoshi Endo, Trevor N. Brown and Kai-Uwe Goss

Environ. Sci. Technol., 2013, 47, 6630
DOI: 10.1021/es401772m

Partition of compounds from gas to water and from gas to physiological saline at 310K: Linear free energy relationships

Michael H. Abraham, Adam Ibrahim and William E. Acree

Fluid Phase Equilibria, 2007, 251, 93
DOI: 10.1016/j.fluid.2006.11.007

Environmentally Relevant Properties of All 209 Polychlorinated Biphenyl Congeners for Modeling Their Fate in Different Natural and Climatic Conditions

Jaakko Paasivirta and Seija I. Sinkkonen

J. Chem. Eng. Data, 2009, 54, 1189
DOI: 10.1021/je800501h

Experimental Determination of Polyparameter Linear Free Energy Relationship (pp-LFER) Substance Descriptors for Pesticides and Other Contaminants: New Measurements and Recommendations

Angelika Stenzel, Kai-Uwe Goss and Satoshi Endo

Environ. Sci. Technol., 2013, 47, 14204
DOI: 10.1021/es404150e

A Model Using Local Weather Data to Determine the Effective Sampling Volume for PCB Congeners Collected on Passive Air Samplers

Nicholas J. Herkert, Andres Martinez and Keri C. Hornbuckle

Environ. Sci. Technol., 2016, 50, 6690
DOI: 10.1021/acs.est.6b00319

Developing Predictive Models for Carrying Ability of Micro-Plastics towards Organic Pollutants

Xiaoxuan Wei, Miao Li, Yifei Wang, Lingmin Jin, Guangcai Ma and Haiying Yu

Molecules, 2019, 24, 1784
DOI: 10.3390/molecules24091784

Empirical regressions between system parameters and solute descriptors of polyparameter linear free energy relationships (PPLFERs) for predicting solvent-air partitioning

Trevor N. Brown

Fluid Phase Equilibria, 2021, 540, 113035
DOI: 10.1016/j.fluid.2021.113035

Air to fat and blood to fat distribution of volatile organic compounds and drugs: Linear free energy analyses

Michael H. Abraham and Adam Ibrahim

European Journal of Medicinal Chemistry, 2006, 41, 1430
DOI: 10.1016/j.ejmech.2006.07.012

Computation methodology for determining Abraham solute descriptors from limited experimental data by combining Abraham model and Goss-modified Abraham model correlations

L.M. Sprunger, A. Proctor, W.E. Acree and M.H. Abraham

Physics and Chemistry of Liquids, 2008, 46, 574
DOI: 10.1080/00319100801993407

Development and Exploration of an Organic Contaminant Fate Model Using Poly-Parameter Linear Free Energy Relationships

Trevor N. Brown and Frank Wania

Environ. Sci. Technol., 2009, 43, 6676
DOI: 10.1021/es901205j

Ionic Liquids: Predictions of Physicochemical Properties with Experimental and/or DFT-Calculated LFER Parameters To Understand Molecular Interactions in Solution

Chul-Woong Cho, Ulrich Preiss, Christian Jungnickel, Stefan Stolte, Jürgen Arning, Johannes Ranke, Andreas Klamt, Ingo Krossing and Jorg Thöming

J. Phys. Chem. B, 2011, 115, 6040
DOI: 10.1021/jp200042f

Hexadecane/air partitioning coefficients of multifunctional compounds: Experimental data and modeling

Guido Bronner, Kathrin Fenner and Kai-Uwe Goss

Fluid Phase Equilibria, 2010, 299, 207
DOI: 10.1016/j.fluid.2010.09.043

Radial basis function neural networks based on projection pursuit approach and solvatochromic descriptors: single and full column prediction of gas chromatography retention behavior of polychlorinated biphenyls

Zeinabe Hassanzadeh, Parastoo Ebrahimi, Mohsen Kompany‐Zareh and Raouf Ghavami

Journal of Chemometrics, 2016, 30, 589
DOI: 10.1002/cem.2822

Evaluation of a predictive model for air/surface adsorption equilibrium constants and enthalpies

Hans Peter H. Arp, Kai‐Uwe Goss and René P. Schwarzenbach

Enviro Toxic and Chemistry, 2006, 25, 45
DOI: 10.1897/05-291R.1

The chemical interpretation and practice of linear solvation energy relationships in chromatography

Mark Vitha and Peter W. Carr

Journal of Chromatography A, 2006, 1126, 143
DOI: 10.1016/j.chroma.2006.06.074

Assessment of PDMS-Water Partition Coefficients: Implications for Passive Environmental Sampling of Hydrophobic Organic Compounds

Erica L. DiFilippo and Robert P. Eganhouse

Environ. Sci. Technol., 2010, 44, 6917
DOI: 10.1021/es101103x

Aerosol–Water Distribution of PCDD/Fs and PCBs in the Baltic Sea Region

Anna Sobek, Hans Peter H. Arp, Karin Wiberg, Jenny Hedman and Gerard Cornelissen

Environ. Sci. Technol., 2013, 47, 781
DOI: 10.1021/es3028567

Estimating the in situ Sediment−Porewater Distribution of PAHs and Chlorinated Aromatic Hydrocarbons in Anthropogenic Impacted Sediments

Hans Peter H. Arp, Gijs D. Breedveld and Gerard Cornelissen

Environ. Sci. Technol., 2009, 43, 5576
DOI: 10.1021/es9012905

Validation of a flow-through sampler for pesticides and polybrominated diphenyl ethers in air

Hang Xiao, Hayley Hung, Ying Duan Lei and Frank Wania

Atmospheric Environment, 2009, 43, 2401
DOI: 10.1016/j.atmosenv.2009.02.006

Partitioning of Polychlorinated Biphenyls into Human Cells and Adipose Tissues: Evaluation of Octanol, Triolein, and Liposomes as Surrogates

Cristina L. Quinn, Stephan A. van der Heijden, Frank Wania and Michiel T. O. Jonker

Environ. Sci. Technol., 2014, 48, 5920
DOI: 10.1021/es500090x

Applications of Polyparameter Linear Free Energy Relationships in Environmental Chemistry

Satoshi Endo and Kai-Uwe Goss

Environ. Sci. Technol., 2014, 48, 12477
DOI: 10.1021/es503369t

Quantum Mechanical Predictions of the Henry’s Law Constants and Their Temperature Dependence for the 209 Polychlorinated Biphenyl Congeners

Kathy L. Phillips, Stanley I. Sandler, Richard W. Greene and Dominic M. Di Toro

Environ. Sci. Technol., 2008, 42, 8412
DOI: 10.1021/es800876w

Regional differences in gas–particle partitioning and deposition of semivolatile organic compounds on a global scale

Christian W. Götz, Martin Scheringer, Matthew MacLeod, Fabio Wegmann and Konrad Hungerbühler

Atmospheric Environment, 2008, 42, 554
DOI: 10.1016/j.atmosenv.2007.08.033

A simple McGowan specific volume correction for branching in hydrocarbons and its consequences for some other solvation parameter values

Paul C.M. van Noort, Joris J.H. Haftka and John R. Parsons

Chemosphere, 2011, 84, 1102
DOI: 10.1016/j.chemosphere.2011.04.042

Prediction of octanol-air partition coefficients for PCBs at different ambient temperatures based on the solvation free energy and the dimer ratio

Wanran Li, Guanghui Ding, Hong Gao, Yuting Zhuang, Xiaoyue Gu and Willie J.G.M. Peijnenburg

Chemosphere, 2020, 242, 125246
DOI: 10.1016/j.chemosphere.2019.125246

Updated Abraham Solvation Parameters for Polychlorinated Biphenyls

Paul C. M. van Noort, Joris J. H. Haftka and John R. Parsons

Environ. Sci. Technol., 2010, 44, 7037
DOI: 10.1021/es102210g

Estimation of the environmental properties of compounds from chromatographic measurements and the solvation parameter model

Colin F. Poole, Thiloka C. Ariyasena and Nicole Lenca

Journal of Chromatography A, 2013, 1317, 85
DOI: 10.1016/j.chroma.2013.05.045

Prediction of biomagnification factors for some organochlorine compounds using linear free energy relationship parameters and artificial neural networks

M.H. Fatemi, M.H. Abraham and M. Haghdadi

SAR and QSAR in Environmental Research, 2009, 20, 453
DOI: 10.1080/10629360903278776

Measurements and predictions of hexadecane/air partition coefficients for 387 environmentally relevant compounds

Angelika Stenzel, Satoshi Endo and Kai-Uwe Goss

Journal of Chromatography A, 2012, 1220, 132
DOI: 10.1016/j.chroma.2011.11.053

Prediction of gas to water partition coefficients from 273 to 373K using predicted enthalpies and heat capacities of hydration

Michael H. Abraham and William E. Acree

Fluid Phase Equilibria, 2007, 262, 97
DOI: 10.1016/j.fluid.2007.08.011

Prediction of gas collection efficiency and particle collection artifact for atmospheric semivolatile organic compounds in multicapillary denuders

Mark D. Rowe and Judith A. Perlinger

Journal of Chromatography A, 2010, 1217, 256
DOI: 10.1016/j.chroma.2009.11.049

Desorption kinetics of hydrophobic organic contaminants from marine plastic pellets

Satoshi Endo, Masaki Yuyama and Hideshige Takada

Marine Pollution Bulletin, 2013, 74, 125
DOI: 10.1016/j.marpolbul.2013.07.018

PCBs in the Arctic atmosphere: determining important driving forces using a global atmospheric transport model

Carey L. Friedman and Noelle E. Selin

Atmos. Chem. Phys., 2016, 16, 3433
DOI: 10.5194/acp-16-3433-2016

Compound-class specific estimation of solid organic compound vapour pressure and aqueous solubility from simple molecular structure descriptors and the temperature of melting

Paul C.M. van Noort

Chemosphere, 2009, 77, 838
DOI: 10.1016/j.chemosphere.2009.07.069

Sorption of a diverse set of organic chemical vapors onto XAD-2 resin: Measurement, prediction and implications for air sampling

Stephen J. Hayward, Ying D. Lei and Frank Wania

Atmospheric Environment, 2011, 45, 296
DOI: 10.1016/j.atmosenv.2010.10.028