Understanding the bioaccumulation of pharmaceutical active compounds by clams Ruditapes decussatus exposed to a UWWTP discharge.

Twenty-four pharmaceutical active compounds (PhACs) were evaluated in the soft tissues of clams Ruditappes decussatus exposed along a 1.5-km dispersal gradient of the treated effluent from an urban wastewater treatment plant discharging in Ria Formosa, and compared with those in the marine waters and discharged effluents. The clams were exposed for 1 month, in June-July 2016, 2017 and 2018. PhACs were quantified by high performance liquid chromatography coupled to tandem mass spectrometry after the quick, easy, cheap, effective, rugged and safe (QuEChERS) method (clams) or solid-phase extraction (water samples). The most representative PhACs in the effluents and receiving waters (regardless of the tidal dilution effect) were diclofenac, carbamazepine and caffeine (on average ≤ 2 µg/L) and only caffeine exhibited significant inter-annual differences, with higher values in 2017. In turn, the most bioaccumulated PhACs in clams were caffeine (0.54-27 ng/g wet weight, significantly higher in 2016) and acetaminophen (0.37-3.7 ng/g wet weight, significant lower in 2016). A multivariate principal component analysis showed (i) PhAC bioaccumulation primarily depended on biotic factors (clams length and weight), (ii) PhAC physicochemical properties Log Kow, pKa and water solubility interplaying with water abiotic variables were more relevant for explaining data variability in water than the physical dilution/tidal mixing, (iii) this process, reflected by the salinity gradient, had a tertiary role in data variation, responsible for spatial discrimination of marine waters. This study provides a better understanding of PhACs bioaccumulation by clams Ruditapes decussatus in real environmental conditions, under the influence of urban treated effluent dispersal in Ria Formosa coastal lagoon, a major producer of bivalves, ultimately disentangling key factors of PhAC bioaccumulation.

Atenolol removal by nanofiltration: a case-specific mass transfer correlation.

Concentration polarization is a phenomenon inherent to membrane separation operations and as a precursor of membrane fouling is frequently related to the decrease in the performance of these operations. In the present work, a case-specific mass transfer correlation was developed to assess the concentration polarization when nanofiltration, in different operating conditions, was applied to treat a pharmaceutical wastewater containing atenolol. NF runs with two membranes, two atenolol concentrations and three feed circulating velocities were conducted, and the corresponding experimental mass transfer coefficients were determined using film theory to describe the concentration polarization phenomenon. Higher velocities led to higher mass transfer coefficients and, consequently, lower concentration polarization. These mass transfer coefficients were correlated with the circulating velocity (Re), the solute diffusivity (Sc) and the membrane permeability (LP +) (the membrane is a permeable interface with effect on the concentration profiles developed from the interface towards the bulk feed), yielding the following correlation Sh = 1.98 × 104Re0.5Sc0.33LP +0.32. The good agreement between the calculated and the experimental results makes this correlation a valuable tool for water practitioners to predict and control the concentration polarization during atenolol-rich wastewater treatment by nanofiltration, thereby increasing its productivity and selectivity.

Energy performance indicators of wastewater treatment: a field study with 17 Portuguese plants.

The energy costs usually represent the second largest part of the running costs of a wastewater treatment plant (WWTP). It is therefore crucial to increase the energy efficiency of these infrastructures and to implement energy management systems, where quantitative performance metrics, such as performance indicators (PIs), play a key role. This paper presents energy PIs which cover the unit energy consumption, production, net use from external sources and costs, and the results used to validate them and derive their reference values. The results of a field study with 17 Portuguese WWTPs (5-year period) were consistent with the results obtained through an international literature survey on the two key parcels of the energy balance--consumption and production. The unit energy consumption showed an overall inverse relation with the volume treated, and the reference values reflect this relation for trickling filters and for activated sludge systems (conventional, with coagulation/filtration (C/F) and with nitrification and C/F). The reference values of electrical energy production were derived from the methane generation potential (converted to electrical energy) and literature data, whereas those of energy net use were obtained by the difference between the energy consumption and production.

A tool for a comprehensive assessment of treated wastewater quality.

The main goal of a wastewater treatment plant (WWTP) is to comply with the treated wastewater (TWW) quality requirements. However, the assessment of this compliance is a rather complex process for WWTPs in the EU Member States, since it requires the integration of a large volume of data and several criteria according to EU Directives 91/271/EEC and 2000/60/EC. A tool for a comprehensive assessment of TWW quality in this context is herein presented. The tool's novelty relies on an integrated analysis of performance indicators (PIs) and new performance indices (PXs). PIs integrate the several compliance criteria into a single framework, supported by flowcharts for a straightforward assessment of TWW compliance by practitioners. PXs are obtained by applying a performance function to the concentration values analysed in the TWW for discharge or reuse. PXs are dimensionless and the scale adopted (0-300) defines three performance levels: unsatisfactory, acceptable and good performance. The reference values proposed for these levels and for the PIs were based on the EU legislation. The PXs complement the information provided by the PIs. While the latter assess the plant effectiveness in a given year (i.e. the TWW compliance with the requirements), PXs tackle the plant reliability, i.e. they allow to easily compare the performance of different parameters over the time and to identify when the performance did satisfy or fail the pre-established objectives and the distance that remains to achieve these targets. The tool was tested in 17 WWTPs and the most representative results are herein illustrated.

Measurement of the Mapping between Intracranial EEG and fMRI Recordings in the Human Brain.

There are considerable gaps in our understanding of the relationship between human brain activity measured at different temporal and spatial scales. Here, electrocorticography (ECoG) measures were used to predict functional MRI changes in the sensorimotor cortex in two brain states: at rest and during motor performance. The specificity of this relationship to spatial co-localisation of the two signals was also investigated. We acquired simultaneous ECoG-fMRI in the sensorimotor cortex of three patients with epilepsy. During motor activity, high gamma power was the only frequency band where the electrophysiological response was co-localised with fMRI measures across all subjects. The best model of fMRI changes across states was its principal components, a parsimonious description of the entire ECoG spectrogram. This model performed much better than any others that were based either on the classical frequency bands or on summary measures of cross-spectral changes. The region-specific fMRI signal is reflected in spatially and spectrally distributed EEG activity.

Connectivity-based neurofeedback: dynamic causal modeling for real-time fMRI.

Neurofeedback based on real-time fMRI is an emerging technique that can be used to train voluntary control of brain activity. Such brain training has been shown to lead to behavioral effects that are specific to the functional role of the targeted brain area. However, real-time fMRI-based neurofeedback so far was limited to mainly training localized brain activity within a region of interest. Here, we overcome this limitation by presenting near real-time dynamic causal modeling in order to provide feedback information based on connectivity between brain areas rather than activity within a single brain area. Using a visual-spatial attention paradigm, we show that participants can voluntarily control a feedback signal that is based on the Bayesian model comparison between two predefined model alternatives, i.e. the connectivity between left visual cortex and left parietal cortex vs. the connectivity between right visual cortex and right parietal cortex. Our new approach thus allows for training voluntary control over specific functional brain networks. Because most mental functions and most neurological disorders are associated with network activity rather than with activity in a single brain region, this novel approach is an important methodological innovation in order to more directly target functionally relevant brain networks.

How does the adsorption of microcystins and anatoxin-a on nanofiltration membranes depend on their co-existence and on the water background matrix.

This work intends to study the adsorption of the cyanotoxins microcystin-LR (MC-LR) and anatoxin-a (ATX-a) on a nanofiltration membrane (150 Da molar mass cut-off and an isoelectric point of 5-6 in the presence of calcium ions), in particular, to understand the toxins' adsorption behaviour with the solution chemistry, namely with the background natural organic matter (NOM), the water pH and the co-existence of MC-LR and ATX-a. The results demonstrate that MC-LR adsorption increases with the water recovery due to MC-LR feed concentration increase. MC-LR adsorption is governed by hydrophobic interactions established between the membrane and the negatively charged MC-LR molecules, and between the MC-LR molecules. The increase of hydrophilic, positively charged low molar mass NOM and of hydrophobic, negatively charged high molar mass NOM does not impact MC-LR adsorption at pH 8. ATX-a adsorption onto the membrane is governed by electrostatic attractions with the membrane and NOM molecules. Background NOM minimises the ATX-a adsorption at pH 7 and enhances it at pH 4, i.e. NOM seems to act as a carrier for ATX-a adsorption onto the membrane. When ATX-a and MC-LR co-exist, adsorption is higher for ATX-a than for MC-LR at pH 4 and 7, and is higher at pH 4 for both cyanotoxins, consistent with the NOM interference.

Engineered pine nut shell derived activated carbons for improved removal of recalcitrant pharmaceuticals in urban wastewater treatment.

Novel powdered activated carbons (PACs) from pine cones and pine nut shells (PNSs) were tested for the competitive adsorption of pharmaceutical compounds (PhCs) in spiked (100 µg/L) secondary effluent and mixed liquor from an urban wastewater treatment plant. Steam activated PNS77, with hierarchical pore structure and 1463 m2/g of BET area, outperformed the commercial benchmark (WP220, mineral origin) for PhCs and dissolved organic matter (DOM) control. PNS77 attained the highest adsorption capacity and rate in synthetic and real wastewaters. Competitive adsorption isotherms revealed the detrimental effect of direct site competing DOM on PhC removal. The PhCs' adsorbability increased with their hydrophobicity, regardless of the water matrix. Kinetic data allowed inferring that indirect competition due to pore constriction/blockage appeared to occur only in mixed liquor. Adsorption isotherm data modelling for ng/L range revealed 80 % removal of carbamazepine and diclofenac would be achieved dosing 8-15 mg/L PNS77 to secondary effluent, while for mixed liquor the dose must be doubled to balance the increased competition. Hydrophilic sulfamethoxazole required a higher dose (34-44 mg/L), lower in the mixed liquor. PNS77 hierarchical pore network and basic surface chemistry minimized DOM direct site competition, requiring lower doses in practical applications for wastewater treatment.

Hybrid Process of Adsorption/Coagulation/Ceramic MF for Removing Pesticides in Drinking Water Treatment-Inline vs. Contact Tank PAC Dosing.

Two pilot trials of powdered activated carbon (PAC)/(coagulation)/ceramic microfiltration were conducted to compare continuous 10-12 mg/L PAC inline dosing with 8-10 mg/L dosing to a 2 h-contact tank. Two low turbidity/low natural organic matter (NOM, total organic carbon <2 mg C/L) surface waters spiked with 7.2-10.3 µg/L total-pesticides were tested and the dosing options were compared towards operational performance, average removal of pesticides and NOM and costs. Removal differences between the two PAC dosing options depended on pesticides' amenability to adsorption and NOM characteristics (254 nm absorbance, A254). Waters containing low A254-absorbing NOM and only pesticides amenable to adsorption showed very high removals (all pesticides ≥93%) and no significant differences between the two PAC dosing options. Waters containing higher A254-absorbing NOM and high loads of pesticides less amenable to adsorption (dimethoate, bentazone) required higher inline PAC dose. Those or more severe conditions may require PAC doses higher than tested to comply with the Drinking Water Directive limits for pesticides. Cost analysis showed PAC inline dosing is more cost-effective than PAC dosing to the contact tank when identical PAC dose is sufficient or when the doses are low, even if 50% higher for inline dosing, and the plant is small.

Adsorption/Coagulation/Ceramic Microfiltration for Treating Challenging Waters for Drinking Water Production.

Pressurized powdered activated carbon/coagulation/ceramic microfiltration (PAC/Alum/MF) was investigated at pilot scale for treating low turbidity and low natural organic matter (NOM) surface waters spiked with organic microcontaminants. A total of 11 trials with clarified or non-clarified waters spiked with pesticides, pharmaceutical compounds, or microcystins were conducted to assess the removal of microcontaminants, NOM (as 254 nm absorbance, A254, and dissolved organic carbon, DOC), trihalomethane formation potential (THMFP), aerobic endospores as protozoan (oo)cysts indicators, bacteriophages as viruses indicators, and regular drinking water quality parameters. PAC/(Alum)/MF achieved 75% to complete removal of total microcontaminants with 4-18 mg/L of a mesoporous PAC and 2 h contact time, with a reliable particle separation (turbidity < 0.03 NTU) and low aluminium residuals. Microcontaminants showed different amenabilities to PAC adsorption, depending on their charge, hydrophobicity (Log Kow), polar surface area and aromatic rings count. Compounds less amenable to adsorption showed higher vulnerability to NOM competition (higher A254 waters), greatly benefiting from DOC-normalized PAC dose increase. PAC/Alum/MF also attained 29-47% NOM median removal, decreasing THMFP by 26%. PAC complemented NOM removal by coagulation (+15-19%), though with no substantial improvement towards THMFP and membrane fouling. Furthermore, PAC/Alum/MF was a full barrier against aerobic endospores, and PAC dosing was crucial for ≥1.1-log reduction in bacteriophages.

An Update on Wastewater Multi-Resistant Bacteria: Identification of Clinical Pathogens Such as Escherichia coli O25b:H4-B2-ST131-Producing CTX-M-15 ESBL and KPC-3 Carbapenemase-Producing Klebsiella oxytoca.

Wastewater treatment plants (WWTPs) are significant reservoirs of bacterial resistance. This work aims to identify the determinants of resistance produced by Gram-negative bacteria in the influent and effluent of two WWTPs in Portugal. A total of 96 wastewater samples were obtained between 2016 and 2019. The numbers of total aerobic and fecal contamination bacteria were evaluated, and genomic features were searched by polymerase chain reaction (PCR) and Next-Generation Sequencing (NGS). Enterobacteriaceae corresponded to 78.6% (n = 161) of the 205 isolates identified by 16sRNA. The most frequent isolates were Escherichia spp. (57.1%, n = 117), followed by Aeromonas spp. (16.1%, n = 33) and Klebsiella spp. (12.7%, n = 26). The remaining 29 isolates (14.1%) were distributed across 10 different genera. Among the 183 resistant genes detected, 54 isolates produced extended spectrum ß-lactamases (ESBL), of which blaCTX-M-15 was predominant (37 isolates; 68.5%). A KPC-3 carbapenemase-producing K. oxytoca was identified (n = 1), with blaKPC-3 included in a transposon Tn4401 isoform b. A higher number of virulence genes (VG) (19 genes) was found in the E. coli 5301 (O25b-ST131-B2) isolate compared with a commensal E. coli 5281 (O25b-ST410-A) (six genes). Both shared five VG [Enterobactin; Aerobactin, CFA/1 (clade α); Type1 (clade γ1); Type IV]. In conclusion, this work highlights the role of relevant clinical bacteria in WWTPs, such as KPC-3-producing K. oxytoca, and, for the first time, a CTX-M-15-producing Ochromobactrum intermedium, a human opportunistic pathogen, and a SED-1-producing Citrobacter farmeri, an uncommon CTX-M-type extended-spectrum beta-lactamase.

Solar Light-Induced Methylene Blue Removal over TiO2/AC Composites and Photocatalytic Regeneration.

TiO2-containing photocatalysts, which combine TiO2 with carbon-based materials, are promising materials for wastewater treatment due to synergistic photodegradation and adsorption phenomena. In this work, TiO2/AC composites were produced by the in situ immobilization of TiO2 nanoparticles over activated carbon (AC) derived from spent coffee grains, using different TiO2/AC proportions. The TiO2/AC composites were tested as adsorbents (dark) and as photocatalysts in a combined adsorption+photocatalytic process (solar irradiation) for methylene blue (MB) removal from ultrapure water, and from a secondary effluent (SecEf) of an urban wastewater treatment plant. All the materials were characterized by XRD (X-ray powder diffraction), N2 adsorption-desorption isotherms at -196 °C, SEM (scanning electron microscopy), UV-Vis diffuse reflectance, FTIR (Fourier-transform infrared spectroscopy), TPD (temperature programmed desorption), XPS (X-ray photoelectron spectroscopy) and TGA (thermogravimetric analysis). The TiAC60 (60% C) composite presented the lowest band gap (1.84 eV), while, for TiAC29 (29% C), the value was close to that of bare TiO2 (3.18 vs. 3.17 eV). Regardless of the material, the solar irradiation improved the percentage of MB discolouration when compared to adsorption in dark conditions. In the case of simultaneous adsorption+photocatalytic assays performed in ultrapure water, TiAC29 presented the fastest MB removal. Nevertheless, both TiAC29 and TiAC60 led to excellent MB removal percentages (96.1-98.1%). UV-induced photoregeneration was a promising strategy to recover the adsorption capacity of the materials, especially for TiAC60 and AC (>95%). When the assays were performed in SecEf, all the materials promoted discolouration percentages close to those obtained in ultrapure water. The bulk water parameters revealed that TiAC60 allowed the removal of a higher amount of MB, associated with the overall improvement of the SecEf quality.

Assessing the applicability of a new carob waste-derived powdered activated carbon to control pharmaceutical compounds in wastewater treatment.

This paper assesses the applicability of a new carob waste-derived powdered activated carbon (PAC) obtained by steam activation for pharmaceutical compounds (PhCs) removal in urban wastewater treatment plants (WWTPs) with activated sludge (AS) secondary treatment. The new carob-derived PAC presents chemical and textural properties similar to a high-performing commercial PAC produced from vegetable source by physical activation. The adsorption isotherms of three target PhCs, carbamazepine, diclofenac and sulfamethoxazole, spiked (at around 100 µg/L) in mixed liquor (ML) and in clarified-ML from the AS-bioreactor of a WWTP show: (i) minor reduction of PAC capacity with real MLs compared to clarified MLs; (ii) the higher the PhC hydrophobicity, the higher the PAC adsorption capacity in both water matrices; (iii) hydrophobic interactions probably overweight electrostatic interactions between the PhCs and the slightly positively charged PAC in these real water matrices with background organics and inorganics. The PhC adsorption results with ML and clarified-ML are used to calibrate the IAST-based tracer model (TRM) and predict the new PAC performance when added to AS-bioreactor vs. in post-secondary treatment, at the PhC naturally-occurring trace concentrations. The modelling projections show (i) one needs higher PAC doses than those reported in the literature, particularly in post-treatment, and (ii) the benefits of PAC dosing to the bioreactor, with only a slightly higher PAC dose being needed when compared to its post-secondary dosing and minimising the capital investment.

Concentration Polarization in Ultrafiltration/Nanofiltration for the Recovery of Polyphenols from Winery Wastewaters.

Concentration polarization is intrinsically associated with the selective character of membranes and often means flux decline and which causes a subsequent decrease of ultrafiltration and nanofiltration performance. More important is the fact that it acts as a precursor of membrane fouling and creates severe fouling problems in the longer times range. The quantification of its dependence on the operating parameters of cross-flow velocities and transmembrane pressures makes recourse to the film theory to introduce mass-transfer coefficients that generally are calculated by dimensionless correlations of the Sherwood number as a function of the Reynolds and Schmidt numbers. In the present work, the mass-transfer coefficients are obtained through the fitting of experimental results by the pressure variation method. The ultrafiltration/nanofiltration of the winery wastewaters from the racking operation is carried out with the membranes ETNA 01PP (Alfa Laval) and NF 270 (Dow Filmtec) under a wide range of cross-flow velocities and transmembrane pressures up to 15 bar.

Associations between polygenic risk scores for four psychiatric illnesses and brain structure using multivariate pattern recognition.

Psychiatric illnesses are complex and polygenic. They are associated with widespread alterations in the brain, which are partly influenced by genetic factors. There have been some attempts to relate polygenic risk scores (PRS) - a measure of the overall genetic risk an individual carries for a disorder - to brain structure using univariate methods. However, PRS are likely associated with distributed and covarying effects across the brain. We therefore used multivariate machine learning in this proof-of-principle study to investigate associations between brain structure and PRS for four psychiatric disorders; attention deficit-hyperactivity disorder (ADHD), autism, bipolar disorder and schizophrenia. The sample included 213 individuals comprising patients with depression (69), bipolar disorder (33), and healthy controls (111). The five psychiatric PRSs were calculated based on summary data from the Psychiatric Genomics Consortium. T1-weighted magnetic resonance images were obtained and voxel-based morphometry was implemented in SPM12. Multivariate relevance vector regression was implemented in the Pattern Recognition for Neuroimaging Toolbox (PRoNTo). Across the whole sample, a multivariate pattern of grey matter significantly predicted the PRS for autism (r = 0.20, pFDR = 0.03; MSE = 4.20 × 10-5, pFDR = 0.02). For the schizophrenia PRS, the MSE was significant (MSE = 1.30 × 10-5, pFDR = 0.02) although the correlation was not (r = 0.15, pFDR = 0.06). These results lend support to the hypothesis that polygenic liability for autism and schizophrenia is associated with widespread changes in grey matter concentrations. These associations were seen in individuals not affected by these disorders, indicating that this is not driven by the expression of the disease, but by the genetic risk captured by the PRSs.

Classification and characterisation of brain network changes in chronic back pain: A multicenter study.

Background. Chronic pain is a common, often disabling condition thought to involve a combination of peripheral and central neurobiological factors. However, the extent and nature of changes in the brain is poorly understood. Methods. We investigated brain network architecture using resting-state fMRI data in chronic back pain patients in the UK and Japan (41 patients, 56 controls), as well as open data from USA. We applied machine learning and deep learning (conditional variational autoencoder architecture) methods to explore classification of patients/controls based on network connectivity. We then studied the network topology of the data, and developed a multislice modularity method to look for consensus evidence of modular reorganisation in chronic back pain. Results. Machine learning and deep learning allowed reliable classification of patients in a third, independent open data set with an accuracy of 63%, with 68% in cross validation of all data. We identified robust evidence of network hub disruption in chronic pain, most consistently with respect to clustering coefficient and betweenness centrality. We found a consensus pattern of modular reorganisation involving extensive, bilateral regions of sensorimotor cortex, and characterised primarily by negative reorganisation - a tendency for sensorimotor cortex nodes to be less inclined to form pairwise modular links with other brain nodes. Furthermore, these regions were found to display increased connectivity with the pregenual anterior cingulate cortex, a region known to be involved in endogenous pain control. In contrast, intraparietal sulcus displayed a propensity towards positive modular reorganisation, suggesting that it might have a role in forming modules associated with the chronic pain state. Conclusion. The results provide evidence of consistent and characteristic brain network changes in chronic pain, characterised primarily by extensive reorganisation of the network architecture of the sensorimotor cortex.

Neurotoxic and hepatotoxic cyanotoxins removal by nanofiltration.

This study investigates the influence of chemical feed characteristics on nanofiltration performance for cyanotoxins removal, namely the neurotoxic anatoxin-a (alkaloid of 166 g/mol, positively charged) and the hepatotoxic microcystins (cyclic peptides of approximately 1,000 g/mol, negatively charged). Results indicate that NF membranes are an effective barrier against anatoxin-a and microcystins in drinking water. Anatoxin-a and especially microcystins were almost completely removed, regardless of the variations in feed water quality (natural organic matter and competitive toxin), the water recovery rate and the pH values. Anatoxin-a removal was governed by electrostatic interactions and steric hindrance, whereas for microcystins the latter was the main mechanism. In turn, fluxes were significantly impacted by background organics and, especially, inorganics (pH, calcium).

Integration of dissolved gas flotation and nanofiltration for M. aeruginosa and associated microcystins removal.

The removal of Microcystis aeruginosa and associated microcystins was investigated by a dissolved gas flotation (preceded by coagulation/flocculation)-nanofiltration (NF) sequence. The experiments were conducted with a freshwater spiked with M. aeruginosa cell aggregates to simulate a naturally occurring bloom. Two types of gases were used in the flotation pre-treatment, air (DAF) and a mixture of CO(2)/air. Very good results in terms of NF fluxes, overall removal efficiencies and final water quality were achieved with both sequences. However, the CO(2)/air mixture presented no benefit to the overall sequence, both in terms of toxin release to water during flotation and lower natural organic matter removal by NF, which was due to an overall negative effect of the acid pH. NF was able to completely remove cyanobacteria (100% removal efficiency of chlorophyll a) and microcystins (always under the quantification limit), regardless of the pre-treatment used and the water recovery rate (up to 84%). Therefore, DAF-NF sequence is a safe barrier against M. aeruginosa and microcystins in drinking water. In addition, it ensures an excellent control of particles, disinfection by-products formation, and other micropollutants that may be present in raw water.

The ionic strength effect on microcystin and natural organic matter surrogate adsorption onto PAC.

This work aims to contribute to a better understanding of the ionic strength effect on microcystin and natural organic matter (NOM) surrogate adsorption by analyzing the importance of adsorbate molecular size, and surface concentration. Adsorption kinetics and/or isotherms were performed on PAC Norit SA-UF for four microcystin variants (MC-LR, MC-LY, MC-LW, MC-LF), and three NOM surrogates (salicylic acid (SA), tannic acid (TA), Aldrich humic acid (AHA)) at different solution ionic strengths. Results showed that the ionic strength effect depends upon the adsorbate surface concentration, cation charge (mono or divalent), and adsorbate molecular size. Potassium seemed not to affect the MC-LR adsorption, while calcium enhanced MC-LR kinetics and adsorption capacity. K+ and, particularly, Ca2+ improved the adsorption kinetics of the other microcystin variants. For identical surface concentration and ionic strength, the impact of K+ and Ca2+ on NOM surrogates depended on the adsorbate molecular size: K+ effect was only observed for AHA, whereas Ca2+ caused no effect on SA adsorption, slightly enhanced TA adsorption, and greatly enhanced AHA adsorption. MC-LR isotherms with two salt concentrations (KCl or CaCl2) indicated that, for the studied range of equilibrium surface concentration (5.3-18.7 mg/g), an enhanced adsorption regime prevails, and no transition regime was observed.

Can Emotional and Behavioral Dysregulation in Youth Be Decoded from Functional Neuroimaging?

INTRODUCTION: High comorbidity among pediatric disorders characterized by behavioral and emotional dysregulation poses problems for diagnosis and treatment, and suggests that these disorders may be better conceptualized as dimensions of abnormal behaviors. Furthermore, identifying neuroimaging biomarkers related to dimensional measures of behavior may provide targets to guide individualized treatment. We aimed to use functional neuroimaging and pattern regression techniques to determine whether patterns of brain activity could accurately decode individual-level severity on a dimensional scale measuring behavioural and emotional dysregulation at two different time points. METHODS: A sample of fifty-seven youth (mean age: 14.5 years; 32 males) was selected from a multi-site study of youth with parent-reported behavioral and emotional dysregulation. Participants performed a block-design reward paradigm during functional Magnetic Resonance Imaging (fMRI). Pattern regression analyses consisted of Relevance Vector Regression (RVR) and two cross-validation strategies implemented in the Pattern Recognition for Neuroimaging toolbox (PRoNTo). Medication was treated as a binary confounding variable. Decoded and actual clinical scores were compared using Pearson's correlation coefficient (r) and mean squared error (MSE) to evaluate the models. Permutation test was applied to estimate significance levels. RESULTS: Relevance Vector Regression identified patterns of neural activity associated with symptoms of behavioral and emotional dysregulation at the initial study screen and close to the fMRI scanning session. The correlation and the mean squared error between actual and decoded symptoms were significant at the initial study screen and close to the fMRI scanning session. However, after controlling for potential medication effects, results remained significant only for decoding symptoms at the initial study screen. Neural regions with the highest contribution to the pattern regression model included cerebellum, sensory-motor and fronto-limbic areas. CONCLUSIONS: The combination of pattern regression models and neuroimaging can help to determine the severity of behavioral and emotional dysregulation in youth at different time points.