The contribution of neighbouring countries to pesticide levels in Dutch surface waters

Compared with other European countries, Dutch consumption of pesticides is high, particularly in agriculture, with many of the compounds found in surface waters in high concentrations and various standards being exceeded. Surface water quality is routinely monitored and the data obtained are published in the Dutch Pesticides Atlas. One important mechanism for reducing pesticide levels in surface waters is authorisation policy, which proceeds on the assumption that the pollution concerned has taken place in the Netherlands. The country straddles the delta of several major European rivers, however, and as river basins do not respect national borders some of the water quality problems will derive from neighbouring countries. Against this background the general question addressed in this article is the following: To what extent do countries neighbouring on the Netherlands contribute to pesticide pollution of Dutch surface waters? To answer this question, data from the Pesticides Atlas for the period 2005-2009 were used. Border zones with Belgium and Germany were defined and the data for these zones compared with Dutch data. In the analyses, due allowance was also made for authorised and non-authorised compounds and for differences between flowing and stagnant waters. Monitoring efforts in the border zones and in the Netherlands were also characterised, showing that efforts in the former are similar to those in the rest of the country. In the border zone with Belgium the relative number of non-authorised pesticides exceeding the standards is clearly higher than in the rest of the Netherlands. These exceedances are observed mainly in flowing waters. In contrast, there is no difference in the relative number of standard-exceeding measurements between the border zones and the rest of the Netherlands. In the boundary zones the array of standard-exceeding compounds clearly deviates from that in the rest of the Netherlands, with compounds authorised in the neighbouring countries but not in the Netherlands, such as flufenacet, featuring prominently. The share of the neighbouring countries in the total number of exceedances in the Netherlands is roughly proportional to the relative area of the border zones. Although there is a certain influx of pesticides from across national borders, the magnitude of the problem appears to be limited.     

Growth Response of a Chrysanthemum Crop to the Environment. II. A Mathematical Analysis Relating Photosynthesis and Growth

Vegetative crops of chrysanthemum were grown for 5 weeks inthree replicate daylit assimilation chambers. Weekly harvestswere made from each crop for growth analysis, and on seven occasionsduring the 5-week period continuous measurements of the netCO₂ exchange rate of each crop were made over a 24 h period.A semi-empirical model for canopy photosynthesis was fittedto these data. The photosynthesis model was then incorporatedinto a simple, dynamic growth model. Using fitted values ofthe canopy photosynthesis parameters, the daily total radiationintegrals, and the experimentally observed relationship betweenthe leaf area index and crop dry matter per unit ground area,the crop growth model was used to simulate growth over the 5-weekperiod. The predicted and measured crop dry weights were inclose agreement over the whole period.     

Healthy growth in children with Down syndrome

Objective

To provide cross-sectional height and head circumference (HC) references for healthy Dutch children with Down syndrome (DS), while considering the influence of concomitant disorders on their growth, and to compare growth between children with DS and children from the general population.

Study design

Longitudinal growth and medical data were retrospectively collected from medical records in 25 of the 30 regional hospital-based outpatient clinics for children with DS in the Netherlands. Children with Trisomy 21 karyotype of Dutch descent born after 1982 were included. The LMS method was applied to fit growth references.

Results

We enrolled 1,596 children, and collected 10,558 measurements for height and 1,778 for HC. Children with DS without concomitant disorders (otherwise healthy children) and those suffering only from mild congenital heart defects showed similar growth patterns. The established growth charts, based on all measurements of these two groups, demonstrate the three age periods when height differences between children with and without DS increase: during pregnancy, during the first three years of life, and during puberty. This growth pattern results in a mean final height of 163.4 cm in boys and 151.8 cm in girls (−2.9 standard deviation (SD) and −3.0 SD on general Dutch charts, respectively). Mean HC (0 to 15 months) was 2 SD less than in the general Dutch population. The charts are available at www.tno.nl/growth.

Conclusions

Height and HC references showed that growth retardation in otherwise healthy children with DS meanly occurs in three critical periods of growth, resulting in shorter final stature and smaller HC than the general Dutch population shows. With these references, health care professionals can optimize their preventive care: monitoring growth of individual children with DS optimal, so that growth retarding comorbidities can be identified early, and focusing on the critical age periods to establish ways to optimize growth.     

A high-throughput processing service for retention time alignment of complex proteomics and metabolomics LC-MS data

Warp2D is a novel time alignment approach, which uses the overlapping peak volume of the reference and sample peak lists to correct misleading peak shifts. Here, we present an easy-to-use web interface for high-throughput Warp2D batch processing time alignment service using the Dutch Life Science Grid, reducing processing time from days to hours. This service provides the warping function, the sample chromatogram peak list with adjusted retention times and normalized quality scores based on the sum of overlapping peak volume of all peaks. Heat maps before and after time alignment are created from the arithmetic mean of the sum of overlapping peak area rearranged with hierarchical clustering, allowing the quality control of the time alignment procedure. Taverna workflow and command line tool are provided for remote processing of local user data. AVAILABILITY: online data processing service is available at http://www.nbpp.nl/warp2d.html. Taverna workflow is available at myExperiment with title '2D Time Alignment-Webservice and Workflow' at http://www.myexperiment.org/workflows/1283.html. Command line tool is available at http://www.nbpp.nl/Warp2D_commandline.zip. CONTACT: p.l.horvatovich@rug.nl SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.     

Cadmium and copper accumulation in the common mussel Mytilus edulis in the Western Scheldt estuary: a model approach

The Western Scheldt of the Dutch Delta area is severely contaminated with trace metals. Accumulation models of trace metals in the mussel Mytilus edulis are required to predict the biological efficiency of reductions in the metal and organic matter load. Two models are constructed: a black-box model and a physiologically structured model. The black-box model predicts metal accumulation in mussels from uptake and elimination parameters. The physiological model attempts to improve predictions by taking into account the kinetics of individual uptake and elimination routes. These in turn, are taken as depending upon two more general physiological processes, the ventilation rate and the metabolic rate. Metal uptake via food and water are expressed as relative fractions. Metal input is differentiated into particulate adsorbed, and dissolved species.The reliability of the two models is evaluated by comparing predicted concentrations for mussels with measurements. Model predictions for copper deviate less than 100% from measured concentrations, but neither model appears to predict cadmium concentration with sufficient accuracy since deviations of more than 100% occured. The introduction of physiological refinements did not improve performance. Food mediated contributions for cadmium and copper to total body burden had been overestimated in the model by a factor of 100 when compared to literature values. The physiological model did predict that the ratio of food mediated contribution to total body burden is probably different for cadmium and copper and decreases with increasing salinity for both. As yet there are no measurements available to confirm such predictions.We conclude that additional laboratory experiments should be done for a better understanding of why there is poor agreement between the few field observations and the simulations. In these experiments mussels grown under different environmental condition can be tested for their accumulation capacity of trace metals. More field observations are needed.     

A generic method of pesticide dose expression: Application to broadcast spraying of apple trees

The recommended dose for many pesticides is expressed as a constant mass or volume per unit ground area covered by the crop. This method of dose expression is well suited to boom spraying where a reasonably uniform horizontal distribution of deposit can be achieved with a well‐adjusted sprayer. However, in many practical situations (e.g. broadcast spraying of apple trees or other row structures where the spray application is made from within the canopy) the horizontal deposit distribution is strongly influenced by the crop area density and other crop structural parameters. This paper describes a generic method of pesticide dose expression to investigate these effects. The method incorporates a model of the spray volume deposition process. The model assumes that the pesticide deposit is proportional to the tank‐mix concentration of pesticide. The model also assumes that spray volume deposit is proportional to the applied spray volume per unit row length and is inversely proportional to a crop length scaling function L (i.e. a parameter with the units of length that is expressed as a generic function of different crop parameters). The useful working range of this model is bounded by the condition for high spray volume where target losses become significant due to saturation and the condition for very low volume where evaporative transport losses become significant. Within this framework, four different models are formulated using first‐order approximations for the length‐scale as functions of the following crop parameters: tree row spacing, tree row height, tree area density and tree row volume to ground area ratio. Published measurements of crop structure and spray volume deposit on apple trees are compared with the output from these models. Light detection and range (LIDAR) measurements of apple orchards are presented and used in conjunction with the different models to predict pesticide use associated with different methods of dose expression. The results demonstrate the relative potential for varying the pesticide application rate according to the different crop parameters. The results enable the identification of reference orchards that could be used to establish worst‐case pesticide application rates for registration purposes. The results also enable the identification of other orchards and growth stages where pesticide application rate might be reduced by up to a factor of five and give the same pesticide deposit as the reference structure.     

Phytoplankton monitoring by high performance flow cytometry: a successful approach?

BACKGROUND: Regular phytoplankton monitoring in Dutch coastal waters is performed as an indicator of the ecological state of these waters. The monitoring program is focused on temporal and spatial changes of species composition and abundance. Flow cytometry has been introduced to provide additional information, to improve ecosystem understanding, and to increase the efficiency of analysis and reportage. METHODS: Phytoplankton community abundance and composition were routinely determined by flow cytometry and microscopy at six locations in the North Sea over three annual cycles between 2000 and 2003. Supplementary measurements were also made for fluorescence (chlorophyll-a and other pigments) and, in combination with flow cytometric and microscopic data, were used to determine phytoplankton abundance and composition as a function of their size distribution. Real-time imaging of species was also used to identify species on the basis of their flow cytometric optical characteristics. RESULTS: Flow cytometric analysis took 15 min on average. Analysis including data processing, and Web site reportage took less than 1 h. Phytoplankton concentrations (cells/ml), biomass (fluorescence/ml), and concentration of phycoerythrin- or phycocyanin-containing cells (cells/ml) as a function of their algal size were produced every 2 weeks on average. The phytoplankton integrated annual concentration and biomass were used as ecological indicators for overall phytoplankton status. Real-time imaging of cells in flow enabled the identification of dominant species and was applied as an early warning system for Phaeocystis spp. CONCLUSIONS: The reproducibility and count precision due to the large number of observations of the flow cytometric technique provided reliable data for monitoring long-term trends. Flow cytometrically based analyses extended the lower detection limit (<0.5 microm) of analysis beyond the capabilities of other techniques such as the relation between small and larger phytoplankton, the relation between cell counts and biomass as a function of cell size, but also the ability to monitor and report on blooms of harmful algae. A good correlation was found between concentrations (cells/ml) measured by flow cytometry and microscopy. In practice, flow cytometric analysis of a single marine sample took 15 min on average.     

A comparison of two methods for prediction of response and rates of inbreeding in selected populations with the results obtained in two selection experiments

Selection programmes are mainly concerned with increasing genetic gain. However, short-term progress should not be obtained at the expense of the within-population genetic variability. Different prediction models for the evolution within a small population of the genetic mean of a selected trait, its genetic variance and its inbreeding have been developed but have mainly been validated through Monte Carlo simulation studies. The purpose of this study was to compare theoretical predictions to experimental results. Two deterministic methods were considered, both grounded on a polygenic additive model. Differences between theoretical predictions and experimental results arise from differences between the true and the assumed genetic model, and from mathematical simplifications applied in the prediction methods. Two sets of experimental lines of chickens were used in this study: the Dutch lines undergoing true truncation mass selection, the other lines (French) undergoing mass selection with a restriction on the representation of the different families. This study confirmed, on an experimental basis, that modelling is an efficient approach to make useful predictions of the evolution of selected populations although the basic assumptions considered in the models (polygenic additive model, normality of the distribution, base population at the equilibrium, etc.) are not met in reality. The two deterministic methods compared yielded results that were close to those observed in real data, especially when the selection scheme followed the rules of strict mass selection: for instance, both predictions overestimated the genetic gain in the French experiment, whereas both predictions were close to the observed values in the Dutch experiment.     

Predicting gene function through systematic analysis and quality assessment of high-throughput data

MOTIVATION: Determining gene function is an important challenge arising from the availability of whole genome sequences. Until recently, approaches based on sequence homology were the only high-throughput method for predicting gene function. Use of high-throughput generated experimental data sets for determining gene function has been limited for several reasons. RESULTS: Here a new approach is presented for integration of high-throughput data sets, leading to prediction of function based on relationships supported by multiple types and sources of data. This is achieved with a database containing 125 different high-throughput data sets describing phenotypes, cellular localizations, protein interactions and mRNA expression levels from Saccharomyces cerevisiae, using a bit-vector representation and information content-based ranking. The approach takes characteristic and qualitative differences between the data sets into account, is highly flexible, efficient and scalable. Database queries result in predictions for 543 uncharacterized genes, based on multiple functional relationships each supported by at least three types of experimental data. Some of these are experimentally verified, further demonstrating their reliability. The results also generate insights into the relative merits of different data types and provide a coherent framework for functional genomic datamining. AVAILABILITY: Free availability over the Internet. CONTACT: f.c.p.holstege@med.uu.nl SUPPLEMENTARY INFORMATION: http://www.genomics.med.uu.nl/pub/pk/comb_gen_network.     

Intrinsic binding effects in mixed counterionic polyelectrolyte systems: extension of condensation theory and comparison with voltammetric data

Voltammetric speciation data for the potassium/zinc/polymethacrylate system, recently obtained for various charge densities of the polyelectrolyte (Díaz-Cruz et al., Anal. Chim. Acta, 264 (1992) 163) and for different concentrations of monovalent counterions (van den Hoop and van Leeuwen, Anal. Chim. Acta, 273 (1993) 275), are compared with theoretical predictions computed according to a new thermodynamic model developed by Paoletti et al. (Biophys. Chem., 41 (1991) 73) and recently extended by Benegas and Paoletti (in preparation). The model allows: (i) the simultaneous condensation of both monovalent and divalent counterions and (ii) can account for a certain specific affinity of the polyelectrolyte for one type of the counterion over the other. For various charge densities of the polyelectrolyte, experimentally obtained speciation data for the K/Zn/PMA system agree well with theoretical predictions by considering an extra reduced molar affinity energy of -4RT for the Zn(2+) polyelectrolyte binding. The agreement between experimental and theoretical values for the distribution of Zn(2+) ions over the free and bound state becomes less perfect for relatively high concentrations of monovalent counterions.     

Evaluation of spectrofluorometry as a tool for estimation in fed-batch fermentations

Native culture fluorescence was investigated as an additional source of information for predicting biomass and glucose concentrations in a fed-batch fermentation of Alcaligenes eutrophus. Partial least squares (PLS) regression and a feed forward neural network (FFNN) coupled with principle component analysis (PCA) were each used to model the kinetics of the fermentation. Data from three fermentations was combined to form a training set for model calibration and data from a fourth fermentation was used as the testing set. The fluorescent soft-sensors were compared with a previously developed feed forward neural network soft-sensor model which used oxygen uptake rate (OUR), carbon dioxide evolution rate (CER), aeration rate, feed rate, and fermentor volume to estimate biomass and glucose concentrations. The best model performance for predicting both biomass and glucose concentrations was achieved using the native fluorescence-based models. Real data predictions of the biomass concentration in the testing set were obtained using both the PLS and FFNN PCA modeling utilizing fluorescence measurements plus the rate of change of the fluorescence measurements. Accurate predictions of the glucose concentration in the testing set were obtained using the FFNN PCA modeling technique utilizing the rate of change of the fluorescence measurements. Substrate exhaustion was indicated qualitatively by a first-order PLS model utilizing the rate of change of fluorescence measurements. These results indicate that native culture fluorescence shows promise for providing additional valuable information to enhance predictive modeling which cannot be extracted from other easily acquired measurements.     

Partial validation of the Dutch model for emission and transport of nutrients (STONE)

The Netherlands has to cope with large losses of N and P to groundwater and surface water. Agriculture is the dominant source of these nutrients, particularly with reference to nutrient excretion due to intensive animal husbandry in combination with fertilizer use. The Dutch government has recently launched a stricter eutrophication abatement policy to comply with the EC nitrate directive. The Dutch consensus model for N and P emission to groundwater and surface water (STONE) has been developed to evaluate the environmental benefits of abatement plans. Due to the possibly severe socioeconomic consequences of eutrophication abatement plans, it is of utmost importance that the model is thoroughly validated. Because STONE is applied on a nationwide scale, the model validation has also been carried out on this scale. For this purpose the model outputs were compared with lumped results from monitoring networks in the upper groundwater and in surface waters. About 13,000 recent point source observations of nitrate in the upper groundwater were available, along with several hundreds of observations showing N and P in local surface water systems. Comparison of observations from the different spatial scales available showed the issue of scale to be important. Scale issues will be addressed in the next stages of the validation study.     

Systematic interpolation method predicts protein chromatographic elution from batch isotherm data without a detailed mechanistic isotherm model

Predicting protein elution for overloaded ion exchange columns requires models capable of describing protein binding over broad ranges of protein and salt concentrations. Although approximate mechanistic models are available, they do not always have the accuracy needed for precise predictions. The aim of this work is to develop a method to predict protein chromatographic behavior from batch isotherm data without relying on a mechanistic model. The method uses a systematic empirical interpolation (EI) scheme coupled with a lumped kinetic model with rate parameters determined from HETP measurements for non‐binding conditions, to numerically predict the column behavior. For two experimental systems considered in this work, predictions based on the EI scheme are in excellent agreement with experimental elution profiles under highly overloaded conditions without using any adjustable parameters. A qualitative study of the sensitivity of predicting protein elution profiles to the precision, granularity, and extent of the batch adsorption data shows that the EI scheme is relatively insensitive to the properties of the dataset used, requiring only that the experimental ranges of protein and salt concentrations overlap those under which the protein actually elutes from the column and possess a ±10% measurement precision.     

Use-exposure relationships of pesticides for aquatic risk assessment

Field-scale environmental models have been widely used in aquatic exposure assessments of pesticides. Those models usually require a large set of input parameters and separate simulations for each pesticide in evaluation. In this study, a simple use-exposure relationship is developed based on regression analysis of stochastic simulation results generated from the Pesticide Root-Zone Model (PRZM). The developed mathematical relationship estimates edge-of-field peak concentrations of pesticides from aerobic soil metabolism half-life (AERO), organic carbon-normalized soil sorption coefficient (KOC), and application rate (RATE). In a case study of California crop scenarios, the relationships explained 90-95% of the variances in the peak concentrations of dissolved pesticides as predicted by PRZM simulations for a 30-year period. KOC was identified as the governing parameter in determining the relative magnitudes of pesticide exposures in a given crop scenario. The results of model application also indicated that the effects of chemical fate processes such as partitioning and degradation on pesticide exposure were similar among crop scenarios, while the cross-scenario variations were mainly associated with the landscape characteristics, such as organic carbon contents and curve numbers. With a minimum set of input data, the use-exposure relationships proposed in this study could be used in screening procedures for potential water quality impacts from the off-site movement of pesticides.     

Modelling crop physiology for integrated decision making

Crop modelling has had a mixed press over the years, driven as much by the community's expectations as by the targets identified by modellers. This short review gives a personal perspective on the scope and value of models of crop processes and performance, in the context of the increasing demand to make predictions about the best course of action for farmers. The goal for these predictions can range from the best rate or timing for a pesticide spray to the likely pressure on the farming community if predicted levels of climate change are realised. The primary conclusion is that a clear statement of objectives is the most important precursor to the use of models of crop processes or systems.     

Quantitative comparison of CFD predicted and MRI measured velocity fields in a carotid bifurcation phantom

Steady flow of a blood mimicking fluid in a physiologically realistic model of the human carotid bifurcation was studied using both magnetic resonance imaging (MRI) and computational fluid dynamics (CFD) modelling techniques. Quantitative comparisons of the 3D velocity field in the bifurcation phantom were made between phase contrast MRI measurements and CFD predictions. The geometry for the CFD model was reconstructed from T(1) weighted MR imaging of the test phantom. It was found that the predicted velocity fields were in fair agreement with MR measured velocities. In both the internal and external carotid arteries, the agreement between CFD predictions and MRI measurements was better along the inner-outer wall axis with a correlation factor C>0.897 (average 0.939) where the velocity profiles were skewed, than along the anterior-posterior axis (average correlation factor 0.876) where the velocity profiles were in M-shape.     

Changes in Biological Control Usage in Great Britain Between 1968 and 1995 with Particular Reference to Biological Control on Tomato Crops

This paper outlines the overall changes in the use of both conventional pesticides and biological control agents on all crops in Great Britain since 1968 and looks at usage within the tomato crop in particular. The total pesticide treated area, including repeat applications to the same crop, increased from 14 million ha in 1976 to 17 million ha in 1981 and almost doubled to over 28 million ha in 1985. In 1998, the total pesticide treated area stood at 46 million ha. Usage of insecticides followed the same pattern as that of total pesticides with increases in the use of pyrethroids and decreases in organochlorine, organophosphate and carbamates. Use of biological control agents increased from just 17 ha in 1968 to approximately 30 000 ha in 1999. Usage of biological control agents in 1995 constituted less than one percent of the total pesticide treated area. Up until 1981, only two biological control agents, Encarsia formosa and Phytoseiulus persimilis , were recorded. However, in 1995 the total number of parasites, predators and other biological control agents recorded was 23. Although both the area of tomatoes grown in Great Britain and the use of insecticides on tomatoes has significantly declined since 1968, the area treated with biological control agents continued to increase over the same period. In 1995, the biological control agent-treated area exceeded 10 000 ha and accounted for over 70% of the area of tomatoes treated.     

Systematic interpolation method predicts protein chromatographic elution with salt gradients,pH gradients and combined salt/pH gradients

A methodology is presented to predict protein elution behavior from an ion exchange column using both individual or combined pH and salt gradients based on high‐throughput batch isotherm data. The buffer compositions are first optimized to generate linear pH gradients from pH 5.5 to 7 with defined concentrations of sodium chloride. Next, high‐throughput batch isotherm data are collected for a monoclonal antibody on the cation exchange resin POROS XS over a range of protein concentrations, salt concentrations, and solution pH. Finally, a previously developed empirical interpolation (EI) method is extended to describe protein binding as a function of the protein and salt concentration and solution pH without using an explicit isotherm model. The interpolated isotherm data are then used with a lumped kinetic model to predict the protein elution behavior. Experimental results obtained for laboratory scale columns show excellent agreement with the predicted elution curves for both individual or combined pH and salt gradients at protein loads up to 45 mg/mL of column. Numerical studies show that the model predictions are robust as long as the isotherm data cover the range of mobile phase compositions where the protein actually elutes from the column.     

A comprehensive kinetic model of laccase‐catalyzed oxidation of aqueous phenol

A comprehensive model was developed to describe the kinetics of the laccase‐catalyzed oxidation of phenol that incorporates enzyme kinetics, enzyme inactivation, variable reaction stoichiometry between substrate and oxygen, and oxygen mass‐transfer. The model was calibrated and validated against data obtained from experiments conducted in an open system, which allowed oxygen to transfer from air to the reacting mixture and phenol conversion to approach completion. Inactivation of laccase was observed over the course of the reaction and was found to be dependent on the rate of substrate transformation. A single kinetic expression was sufficient to describe laccase inactivation arising from interaction with reacting species over time. Excellent agreement was found between model predictions of phenol and oxygen concentrations and experimental data over time for a wide range of initial substrate concentrations and enzyme activities. © 2009 American Institute of Chemical Engineers Biotechnol. Prog., 2009     

Mass Balance Model with Donnan Equilibrium Accurately Describes Unusual pH and Excipient Profiles during Diafiltration of Monoclonal Antibodies

There is extensive experimental data showing that the final pH and buffer composition after protein diafiltration (DF), particularly with monoclonal antibodies, can be considerably different than that in the DF buffer due to electrostatic interactions between the charged protein and the charged ions. Previous models for this behavior have focused on the final (equilibrium) partitioning and are unable to explain the complex pH and concentration profiles during the DF process. The objective of this study is to develop a new model for antibody DF based on solution of the transient mass balance equations, with the permeate concentrations of the charged species evaluated assuming Donnan equilibrium across the semipermeable membrane in combination with electroneutrality constraints. Model predictions are in excellent agreement with experimental data obtained during DF of both acidic and basic monoclonal antibodies, with the protein charge determined from independent electrophoretic mobility measurements. The model is able to predict the entire pH/histidine concentration profiles during DF, providing a framework for the development of DF processes that yield the desired antibody formulation.