Characterizing Powdered Activated Carbon Treatment of Surface Water Samples Using Polarity-Extended Non-Target Screening Analysis.

Advanced wastewater treatment such as powdered activated carbon (PAC) reduces the load of organic micropollutants entering the aquatic environment. Since mobile and persistent compounds accumulate in water cycles, treatment strategies need to be evaluated for the removal of (very) polar compounds. Thereby, non-targeted analysis gives a global picture of the molecular fingerprint (including these very polar molecules) of water samples.

Spotlight on mass spectrometric non-target screening analysis: Advanced data processing methods recently communicated for extracting, prioritizing and quantifying features.

Non-target screening of trace organic compounds complements routine monitoring of water bodies. So-called features need to be extracted from the raw data that preferably represent a chemical compound. Relevant features need to be prioritized and further be interpreted, for instance by identifying them.

(Very) polar organic compounds in the Danube river basin: a non-target screening workflow and prioritization strategy for extracting highly confident features.

Recently, more and more research has been focused on the analysis of polar organic compounds as they tend to be persistent and mobile in the aquatic environment. The serial coupling of reversed-phase and hydrophilic interaction liquid chromatography allows the separation of analytes of an extended polarity range within a single run. The non-target screening approach was driven by high-resolution mass spectrometry and is able to detect unexpected compounds.

Optimized hidden target screening for very polar molecules in surface waters including a compound database inquiry.

Highly polar trace organic compounds, which are persistent, mobile, and toxic (PMT) or are very persistent and very mobile (vPvM) in the aquatic environment, may pose a risk to surface water, ground water, and drinking water supplies. Despite the advances in liquid chromatography-mass spectrometry, there often exists an analytical blind spot when it comes to very polar chemicals. This study seeks to make a broad polarity range analytically accessible by means of serially coupling reversed-phase liquid chromatography (RPLC) and hydrophilic interaction liquid chromatography (HILIC) to high-resolution mass spectrometry (HRMS).