Surface water of rivers like the Rhine is a highly relevant environmental and logistic compartment and an important source of the Dutch drinking water. To improve protection of the environment and drinking water supply, it is important to have a continuous overview of the chemical composition of the river. Such an overview may be obtained with contemporary, untargeted analytical platforms like Gas Chromatography-Mass Spectrometry (GC-MS). Interpretation of such untargeted data is however challenged by the presence of many compounds of biological origin. We have developed a novel approach to screen for anthropogenic compounds using statistical tests on the time-trends of ions that are not (yet) chemically identified. This approach filters out many naturally occurring compounds, leaving more resources available for wet-lab identification of anthropogenic compounds).

The 2000 European Union Water Framework Directive (WFD) states that ‘Member States shall ensure the necessary protection for the bodies of water identified with the aim of avoiding deterioration in their quality in order to reduce the level of purification treatment required in the production of drinking water’. However, it does not specify how to evaluate or quantify this level of purification treatment. The scientific literature contains several different Water Quality Indices (WQIs), but none are suited for this purpose. Therefore, we propose a novel WQI that we specifically designed to quantify the level of purification required to prepare drinking water from source water. It is based on the WQI of the Canadian Council of Ministers of the Environment (CCME WQI), which was chosen because it is widely accepted, can be used with any number of input parameters, does not require expert judgement and has been applied to assess source water quality before. We compare measured contaminant concentrations in source water to drinking water guidelines and additionally incorporate the resilience of contaminants to treatment processes in the index (which is not possible in the CCME WQI). Furthermore, we accommodate for varying sampling frequencies that are characteristic of the ongoing monitoring programme. These changes make our index more robust and sensitive to relevant changes in source water quality. We calculated index scores for source water from the Rhine and the Meuse rivers to monitor the effect of implementation of the WFD on the effort required to produce of drinking water.

P-graph is a popularly used framework for process network synthesis (PNS) and network topological optimization. This R&D notes introduces a Python interface for P-graph to serve as a linkage to modern programming ecosystems. This allows for a wider application of the fast and efficient P-graph solver, to provide structural and topological enumeration in numerous fields. The proposed framework allows for more integrative usage in Artificial Intelligence (AI), machine learning, process system engineering, chemical engineering and chemometrics. Large and repetitive topologies can also be automated using the new programming interface, saving time and effort in modelling. This short note serves as a demonstration of this open-sourced P-graph interface (code: https://github.com/tsyet12/Pgraph).

Rationale Neutrophils and monocytes are key immune effector cells in inflammatory bowel disease (IBD) that is associated with chronic inflammation in the gut. Patients with stable IBD who exercise have fewer flare-ups, but no underlying mechanism has been identified. Therefore, the aim of this study was to compare the responsiveness of these innate immune cells after repeated bouts of prolonged exercise in IBD patients and controls. Methods Patients with IBD and age- and gender-matched healthy controls were recruited from a cohort of walkers participating in a 4-day walking event. Blood analysis was performed at baseline and after 3 days of walking. Responsiveness to the bacterial/mitochondrial N-Formylmethionine-leucyl-phenylalanine (fMLF) was tested in granulocytes and monocytes by measuring the expression of activation markers after adding this stimulus to whole blood Results In total 38 participants (54±12 years) were included in this study: 19 walkers with and 19 walkers without IBD. After 3 days of prolonged exercise, a significant increase in responsiveness to fMLF was observed in all participants irrespective of disease. However, IBD patients showed significantly smaller increase in neutrophils (p=0.010; p=0.030; p=0.010, respectively) and monocytes (p=0.001; p=0.008; p=0.005, respectively), compared to controls. Conclusions Increased responsiveness of neutrophils and monocyte to fMLF was demonstrated after repetitive bouts of prolonged exercise. Interestingly, this exercise was associated with relative refractoriness of both neutrophils and monocytes in IBD patients. These refractory cells might create a lower inflammatory state in the intestine providing a putative mechanism for the decrease in flare-ups in IBD patients after repeated exercise.