High resolution mass spectrometry-based non-target screening can support regulatory environmental monitoring and chemicals management

Non-target screening (NTS) including suspect screening with high resolution mass spectrometry has already shown its feasibility in detecting and identifying emerging contaminants, which subsequently triggered exposure mitigating measures. NTS has a large potential for tasks such as effective evaluation of regulations for safe marketing of substances and products, prioritization of substances for monitoring programmes and assessment of environmental quality. To achieve this, a further development of NTS methodology is required, including: (i) harmonized protocols and quality requirements, (ii) infrastructures for efficient data management, data evaluation and data sharing and (iii) sufficient resources and appropriately trained personnel in the research and regulatory communities in Europe. Recommendations for achieving these three requirements are outlined in the following discussion paper. In particular, in order to facilitate compound identification it is recommended that the relevant information for interpretation of mass spectra, as well as about the compounds usage and production tonnages, should be made accessible to the scientific community (via open-access databases). For many purposes, NTS should be implemented in combination with effect-based methods to focus on toxic chemicals. © 2019, The Author(s)

Winds of Change: A Century of Agroclimate Research

Climate has been of primary concern from the beginning of agricultural research. Early in the 20th century, climatology and agronomy evolved separately, focusing primarily on production agriculture and crop adaptation. Concepts developed include thermal units and water use efficiency. The integrated discipline of agroclimatology developed in the mid-20th century. As theoretical understanding evolved, numerous papers related to agroclimatology were named Citation Classics. Spectral properties of plants and soils were identified that underpin today’s remote sensing technologies. Commercialization of instrumentation enhanced our ability to efficiently collect data using standardized methods. Private and public-sector partnerships advanced research capacity. Later in the 20th century, research focus shifted toward integrating knowledge into crop growth and agronomic models. Remote sensing provided capacity to gain theoretical and practical understanding of regional scale processes. In the early 21st century, recognition of earth as a system along with inter-related human systems is driving research and political agendas. There is a pressing need to change our data-rich to an information-rich environment. The emerging cyberinformatics field along with natural resource and agricultural system models allow us to apply climate information to assessments and decision support related to water supply, production, environmental management, and other issues. Solutions to today’s problems require interdisciplinary and multi-sectoral teams. While needs have never been greater, fewer universities maintain critical mass required to off er advance degrees in agroclimatology. It will be increasingly important that agrclimatology attract top students and provide training and practical experience in conducting integrated systems research, communications, and team skills

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

In this article, a dataset from a collaborative nontarget screening trial organised by the NORMAN Association is used to review the state-of-the-art and discuss future perspectives of non-target creening using high-resolution mass spectrometry in water analysis. A total of 18 institutes from 12 European countries analysed an extract of the same water sample collected from the River Danube with either one or both of liquid and gas chromatography coupled with mass spectrometry detection. This article focuses mainly on the use of high resolution screening techniques with target, suspect, and non-target workflows to identify substances in environmental samples. Specific examples are given to emphasise major challenges including isobaric and co-eluting substances, dependence on target and suspect lists, formula assignment, the use of retention information, and the confidence of identification. Approaches andmethods applicable to unit resolution data are also discussed. Although most substances were identified using high resolution data with target and suspect-screening approaches, some participants proposed tentative non-target identifications. This comprehensive dataset revealed that non-target analytical techniques are already substantially harmonised between the participants, but the data processing remains time-consuming. Although the objective of a "fully-automated identification workflow" remains elusive in the short term, important steps in this direction have been taken, exemplified by the growing popularity of suspect screening approaches. Major recommendations to improve non-target screening include better integration and connection of desired features into software packages, the exchange of target and suspect lists, and the contribution ofmore spectra from standard substances into (openly accessible) databases. © Springer-Verlag Berlin Heidelberg 2015