Environmental chemistry of organosiloxanes

C Rücker, K Kümmerer - Chemical Reviews, 2015 - ACS Publications
Although around us for more than six decades, siloxanes are considered emerging
environmental contaminants. 1− 5 Emerging here means that previously they were not …

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

CF Poole, TC Ariyasena, N Lenca - Journal of Chromatography A, 2013 - Elsevier
This article provides an overview of chromatographic methods as surrogate models for
environmental processes and for the determination of descriptors for compounds of …

Applications of polyparameter linear free energy relationships in environmental chemistry

S Endo, KU Goss - Environmental science & technology, 2014 - ACS Publications
Partitioning behavior of organic chemicals has tremendous influences on their
environmental distribution, reaction rates, bioaccumulation, and toxic effects. Polyparameter …

Concentrations and assessment of exposure to siloxanes and synthetic musks in personal care products from China

Y Lu, T Yuan, W Wang, K Kannan - Environmental pollution, 2011 - Elsevier
We investigated the concentrations and profiles of 15 siloxanes (four cyclic siloxanes, D4–
D7; 11 linear siloxanes, L4–L14), four synthetic musks (two polycyclic musks, HHCB and …

The effect of descriptor database selection on the physicochemical characterization and prediction of water-air, octanol-air and octanol-water partition constants using …

CF Poole - Journal of Chromatography A, 2023 - Elsevier
The distribution of neutral compounds in biphasic separation systems can be described by
the solvation parameter model using six solute properties, or descriptors. These descriptors …

Quantum chemical calculation and evaluation of partition coefficients for classical and emerging environmentally relevant organic compounds

T Salthammer, S Grimme, M Stahn… - Environmental …, 2021 - ACS Publications
Octanol/water (K OW), octanol/air (K OA), and hexadecane/air (K HdA) partition coefficients
are calculated for 67 organic compounds of environmental concern using computational …

Recent advances for estimating environmental properties for small molecules from chromatographic measurements and the solvation parameter model

CF Poole, SN Atapattu - Journal of Chromatography A, 2023 - Elsevier
The transfer of neutral compounds between immiscible phases in chromatographic or
environmental systems can be described by six solute properties (solute descriptors) using …

Wayne State University experimental descriptor database for use with the solvation parameter model

CF Poole - Journal of Chromatography A, 2020 - Elsevier
The solvation parameter model is a well established quantitative structure-property
relationship model suitable for describing the contribution of intermolecular interactions in a …

Predicting partition coefficients of polyfluorinated and organosilicon compounds using polyparameter linear free energy relationships (PP-LFERs)

S Endo, KU Goss - Environmental science & technology, 2014 - ACS Publications
The environmental behavior, fate, and effects of polyfluorinated compounds (PFCs) and
organosilicon compounds (OSCs) have received increasing attention in recent years. In this …

Critical review and interpretation of environmental data for volatile methylsiloxanes: partition properties

S Xu, G Kozerski, D Mackay - Environmental science & technology, 2014 - ACS Publications
Volatile methylsiloxanes (VMS) enter the environment through industrial activities and the
use of various consumer products. Reliable measurements of environmental partition …