Resolving unknown isomers of emerging per- and polyfluoroalkyl substances (PFASs) in environmental samples using COSMO-RS-derived retention factor and mass fragmentation patterns

Prevalence of per- and polyfluoroalkyl substances (PFASs) in drinking and source water from two Asian countries

(2020) Mary Grace E. Guardian et al.   CHEMOSPHERE

Non-target and suspect screening of per- and polyfluoroalkyl substances in Chinese municipal wastewater treatment plants

(2020) Xuebing Wang et al.   WATER RESEARCH

High-resolution mass spectrometry (HRMS) methods for nontarget discovery and characterization of poly- and per-fluoroalkyl substances (PFASs) in environmental and human samples

(2019) Yanna Liu et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Identification of Per- and Polyfluoroalkyl Substances in the Cape Fear River by High Resolution Mass Spectrometry and Nontargeted Screening

(2019) James McCord et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Rapid separation of isomeric perfluoroalkyl substances by high-resolution differential ion mobility mass spectrometry

(2019) Ezaz Ahmed et al.   ANALYTICA CHIMICA ACTA

Prediction of Partition Coefficients of Environmental Toxins Using Computational Chemistry Methods

(2019) David van der Spoel et al.   ACS Omega

Isomers of per- and polyfluoroalkyl substances and uric acid in adults: Isomers of C8 Health Project in China

(2019) Xiao-Wen Zeng et al.   ENVIRONMENT INTERNATIONAL

Nontarget Mass Spectrometry Reveals New Perfluoroalkyl Substances in Fish from the Yangtze River and Tangxun Lake, China

(2018) Yanna Liu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Worldwide drinking water occurrence and levels of newly-identified perfluoroalkyl and polyfluoroalkyl substances

(2018) Hermann A. Kaboré et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Measuring log Kow coefficients of neutral species of perfluoroalkyl carboxylic acids using reversed-phase high-performance liquid chromatography

(2018) Qian Xiang et al.   ENVIRONMENTAL POLLUTION

Suspect and Nontarget Screening of Per- and Polyfluoroalkyl Substances in Wastewater from a Fluorochemical Manufacturing Park

(2018) Yi Wang et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Transformation of novel polyfluoroalkyl substances (PFASs) as co-contaminants during biopile remediation of petroleum hydrocarbons

(2018) Rui Li et al.   JOURNAL OF HAZARDOUS MATERIALS

Matrix-specific distribution and compositional profiles of perfluoroalkyl substances (PFASs) in multimedia environments

(2018) Sung-Hee Seo et al.   JOURNAL OF HAZARDOUS MATERIALS

Novel Polyfluorinated Compounds Identified Using High Resolution Mass Spectrometry Downstream of Manufacturing Facilities near Decatur, Alabama

(2017) Seth Newton et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Discovery of 40 Classes of Per- and Polyfluoroalkyl Substances in Historical Aqueous Film-Forming Foams (AFFFs) and AFFF-Impacted Groundwater

(2017) Krista A. Barzen-Hanson et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Comprehensive Emerging Chemical Discovery: Novel Polyfluorinated Compounds in Lake Michigan Trout

(2016) Sadjad Fakouri Baygi et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Fragment-based approach to calculate hydrophobicity of anionic and nonionic surfactants derived from chromatographic retention on a C18stationary phase

(2016) Jort Hammer et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

Non-targeted screening approaches for contaminants and adulterants in food using liquid chromatography hyphenated to high resolution mass spectrometry

(2016) Ann M. Knolhoff et al.   JOURNAL OF CHROMATOGRAPHY A

Legacy and Emerging Perfluoroalkyl Substances Are Important Drinking Water Contaminants in the Cape Fear River Watershed of North Carolina

(2016) Mei Sun et al.   Environmental Science & Technology Letters

Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis

(2015) Emma L. Schymanski et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Identification of Polybrominated Diphenyl Ether Metabolites Based on Calculated Boiling Points from COSMO-RS, Experimental Retention Times, and Mass Spectral Fragmentation Patterns

(2015) Scott Simpson et al.   ANALYTICAL CHEMISTRY

Critical evaluation of a simple retention time predictor based on LogKow as a complementary tool in the identification of emerging contaminants in water

(2015) Richard Bade et al.   TALANTA

Novel approach for predicting partition coefficients of linear perfluorinated compounds

(2015) Abdel Hidalgo et al.   THEORETICAL CHEMISTRY ACCOUNTS

Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence

(2014) Emma L. Schymanski et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Endocrine and Fitness Correlates of Long-Chain Perfluorinated Carboxylates Exposure in Arctic Breeding Black-Legged Kittiwakes

(2014) Sabrina Tartu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

PFOS induced lipid metabolism disturbances in BALB/c mice through inhibition of low density lipoproteins excretion

(2014) Ling Wang et al.   Scientific Reports

Linear and branched perfluorooctane sulfonate (PFOS) isomer patterns differ among several tissues and blood of polar bears

(2013) Alana K. Greaves et al.   CHEMOSPHERE

Fluorinated alternatives to long-chain perfluoroalkyl carboxylic acids (PFCAs), perfluoroalkane sulfonic acids (PFSAs) and their potential precursors

(2013) Zhanyun Wang et al.   ENVIRONMENT INTERNATIONAL

Using COSMOtherm to predict physicochemical properties of poly- and perfluorinated alkyl substances (PFASs)

(2013) Zhanyun Wang et al.   Environmental Chemistry

The octanol-water partition coefficient: Strengths and limitations

(2013) Joop L.M. Hermens et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

Identification of Novel Fluorochemicals in Aqueous Film-Forming Foams Used by the US Military

(2012) Benjamin J. Place et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Prediction of phase equilibria in systems containing large flexible molecules using COSMO-RS: State-of-the-problem

(2012) Liudmila Mokrushina et al.   FLUID PHASE EQUILIBRIA

COSMO-RS for the prediction of the retention behavior in micellar liquid chromatography based on partition coefficients of non-dissociated and dissociated solutes

(2012) Tanja Mehling et al.   JOURNAL OF CHROMATOGRAPHY A

Technical-grade perfluorooctane sulfonate alters the expression of more transcripts in cultured chicken embryonic hepatocytes than linear perfluorooctane sulfonate

(2011) Jason M. O'Brien et al.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

Perfluoroalkyl and polyfluoroalkyl substances in the environment: Terminology, classification, and origins

(2011) Robert C Buck et al.   Integrated Environmental Assessment and Management

Prediction of environmental parameters of polycyclic aromatic hydrocarbons with COSMO-RS

(2010) Bernd Schröder et al.   CHEMOSPHERE

Property-optimized Gaussian basis sets for molecular response calculations

(2010) Dmitrij Rappoport et al.   JOURNAL OF CHEMICAL PHYSICS

COSMO-RS: An Alternative to Simulation for Calculating Thermodynamic Properties of Liquid Mixtures

(2010) Andreas Klamt et al.   Annual Review of Chemical and Biomolecular Engineering

COSMO-RS Calculations of Partition Coefficients: Different Tools for Conformation Search

(2009) M. Buggert et al.   CHEMICAL ENGINEERING & TECHNOLOGY

Comparative Assessment of the Global Fate and Transport Pathways of Long-Chain Perfluorocarboxylic Acids (PFCAs) and Perfluorocarboxylates (PFCs) Emitted from Direct Sources

(2009) James M. Armitage et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

High Lipophilicity of Perfluoroalkyl Carboxylate and Sulfonate: Implications for Their Membrane Permeability

(2009) Ping Jing et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Immunotoxicity of Perfluorooctanoic Acid and Perfluorooctane Sulfonate and the Role of Peroxisome Proliferator-Activated Receptor Alpha

(2008) Jamie C. DeWitt et al.   CRITICAL REVIEWS IN TOXICOLOGY

Partitioning of Fluorotelomer Alcohols to Octanol and Different Sources of Dissolved Organic Carbon

(2008) Nadia Carmosini et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

The pKaValues of PFOA and Other Highly Fluorinated Carboxylic Acids

(2007) Kai-Uwe Goss   ENVIRONMENTAL SCIENCE & TECHNOLOGY