Reaction of decabromodiphenyl ether with organo-modified clay-templated zero-valent iron in water-tetrahydrofuran solution: Nano- to micrometric scale effects.

Smectite clay-templated nanoscale zero-valent iron (CZVI) was modified with tetramethylammonium (TMA), trimethylphenylammonium (TMPA) and hexadecyltrimethylammonium (HDTMA) to achieve organoclay-templated ZVI (OCZVI). The reactivity of various OCZVIs was evaluated on the basis of degradation of decabromodiphenyl ether (DBDE) in tetrahydrofuran (THF)-water binary solution. Characterization of OCZVI interlayer at nanometric scale indicated that the clay particles had the domains with three basal spacings in the THF/water solution. In the 50 % THF solution TMPA modification promoted the formation of the domains with a basal spacing at 1.56 nm, which could promote the degradation of DBDE. At the micrometric scale, in the 90 % THF solution TMA and TMPA modification tended to enhance the aggregation of OCZVI particles, while the HDTMA modification reduced the aggregation, and high percentage of modification yielded viscous gel structures. The relatively rapid sedimentation processes in 90 % THF solution (compared to that in 50 % THF solution) and formation gel structures could reduce the access of DBDE to the interlayer reactive nZVIs, and lead to the significant reduction in reaction rate. These results provide important insights to the organo-modification on clays which could alter their orientations and dispersion in organic-water binary solution to achieve the desired reactivity on confined clay surfaces.

Bacterial community assembly and antibiotic resistance genes in soils exposed to antibiotics at environmentally relevant concentrations.

Understanding how bacterial community assembly and antibiotic resistance genes (ARGs) respond to antibiotic exposure is essential to deciphering the ecological risk of anthropogenic antibiotic pollution in soils. In this study, three loam soils with different land management (unmanured golf course, dairy-manured pasture, and swine-manured cornfield) were spiked with a mixture of 11 antibiotics at the initial concentration of 100 and 1000 µg kg-1 for each antibiotic and incubated over 132 days, mimicking a scenario of pulse disturbance and recovery in soils, with unspiked soil samples as the control treatment. The Infer Community Assembly Mechanisms by Phylogenetic-bin-based null model (iCAMP) analysis demonstrated that drift and dispersal limitation contributed to 57%-65% and 16%-25%, and homogeneous selection 12%-16% of soil bacterial community assembly. Interestingly, antibiotic exposure to 1000 µg kg-1 level significantly increased the contribution of drift to community assembly, largely due to the positive response from Acidobacteria-6 in the golf course and pasture soils and from Chthoniobacteraceae in the cornfield soil to the antibiotic exposure. However, ARG abundance and diversity in the three soils exhibited antibiotics-independent temporal fluctuations, but were associated with the changes in soil bacterial communities over time. This study provides the first insight into the relative contributions of different bacterial community assembly processes in soils upon antibiotic exposure at environmentally relevant concentrations.

Alcohol-induced changes in mesostriatal resting-state functional connectivity are linked to sensation seeking in young adults.

BACKGROUND: Studies in animals and humans suggest that greater levels of sensation seeking and alcohol use are related to individual differences in drug-induced dopamine release. However, it remains unclear whether drug-induced alterations in the functional synchrony between mesostriatal regions are related to sensation seeking and alcohol use. METHODS: In this within-subject masked-design study, 21-year-old participants (n = 34) underwent functional magnetic resonance imaging to measure ventral tegmental area (VTA) resting-state functional connectivity to the striatum after receiving alcohol (target blood alcohol concentration 0.08 g/dL) or placebo. Participants also completed the UPPS-P Impulsive Behavior Scale to assess sensation seeking, the Young Adult Alcohol Consequences Questionnaire, and self-reported patterns of alcohol and drug use. RESULTS: Voxel-wise analyses within the striatum demonstrated that during the alcohol condition (compared with placebo) young adults had less connectivity between the VTA and bilateral caudate (p < 0.05 corrected). However, young adults exhibiting smaller alcohol-induced decreases or increases in VTA-left caudate connectivity reported greater sensation seeking. CONCLUSION: These findings provide novel information about how acute alcohol impacts resting-state connectivity, an effect that may be driven by the complex pre and postsynaptic effects of alcohol on various neurotransmitters including dopamine. Further, alcohol-induced differences in VTA connectivity represent a plausible mechanistic substrate underlying sensation seeking.

Differences in rates of impairment in adults who use methamphetamine using two sets of demographically corrected norms.

Neuropsychologists can expect to meet with increasing rates of patients who use methamphetamine (MA), as MA use is on the rise, often comorbid with other substance use disorders, and frequently accompanied by changes in cognitive functioning. To detect impairment, neuropsychologists must apply the appropriate normative data according to important demographic factors such as age, sex, and education. This study involved 241 adults with and without MA dependence who were administered the Neuropsychological Assessment Battery. Given the high rates of polysubstance use among adults who use MA, we included adults with mono-dependence and poly-dependence on MA and at least one other substance. We compared the rates of adults with and without previous MA dependence classified as impaired on neurocognitive testing when using norms corrected for age, education, and sex versus norms corrected only for age. Norms corrected for age, education, and sex resulted in less frequent identification of impairment compared to norms corrected only for age, but both sets of norms appeared sufficient and similar enough to warrant their use with this population. It may be appropriate to explore the possible implications of discrepancies between education-corrected and non-education corrected sets of scores when assessing impairment in individuals who use MA.

Tetracycline accumulation in biofilms enhances the selection pressure on Escherichia coli for expression of antibiotic resistance.

Microorganisms are present as either biofilm or planktonic species in natural and engineered environments. Little is known about the selection pressure emanating from exposure to sub-minimal inhibitory concentration of antibiotics on planktonic vs. biofilm bacteria. In this study, an E. coli bioreporter was used to develop biofilms on glass and high-density polyethylene (HDPE) surfaces, and compared with the corresponding planktonic bacteria in antibiotic resistance expression when exposed to a range of µg/L levels of tetracycline. The antibiotic resistance-associated fluorescence emissions from biofilm E. coli reached up to 1.6 times more than those from planktonic bacteria. The intensively developed biofilms on glass surfaces caused the embedded bacteria to experience higher selection pressure and express more antibiotic resistance than those on HDPE surfaces. The temporal pattern of fluorescence emissions from biofilm E. coli was consistent with the biofilm-developing processes during the experimental period. The increased expression of antibiotic resistance from biofilm bacteria could be attributed to the high affinity of tetracycline with extracellular polymeric substances (EPS). The enhanced accumulation of tetracycline in biofilms could exert higher selection pressure on the embedded bacteria. These results suggest that in many natural and engineered systems the higher antibiotic resistance in biofilm bacteria could be attributed partially to the retention antibiotics by the EPS in biofilms.

Characterization of Plant Accumulation of Pharmaceuticals from Soils with Their Concentration in Soil Pore Water.

Predicting plant uptake of pharmaceuticals from soils is very challenging because many pharmaceuticals are ionizable compounds, which experience highly variable sorption/desorption and transformation processes in soils. This study aimed to elucidate how the equilibrium between sorbed and dissolved phases influences radish uptake of 15 pharmaceuticals from three soils with different properties. After 30 days of uptake, the accumulation of acetaminophen, carbamazepine, lamotrigine, carbadox, trimethoprim, and triclosan in radish ranked as Riddles > Capac > Spinks soil. In contrast, radish accumulation of caffeine, lincomycin, monensin, tylosin, sulfadiazine, and sulfamethoxazole exhibited the opposite order of Riddles < Capac < Spinks soil. Oxytetracycline and estrone demonstrated similar accumulation in radish grown in the three soils. Accumulation of pharmaceuticals in radish demonstrated no apparent relation with their concentration in soils. However, we identified strong positive correlation between pharmaceutical accumulation in radish and their corresponding concentration in soil pore water. These results reveal that pharmaceutical in soil pore water is the dominant fraction bioavailable to plant uptake. Relatively constant root concentration factors (RCFs) on the basis of pharmaceutical concentration in soil pore water, compared to the highly variable RCFs derived from soils, suggest that pore water-based RCF is superior for describing pharmaceutical accumulation in plants grown in soils. We recommend that pharmaceuticals in soil pore water should be evaluated and included in modeling their uptake by plants.

Cognition during active methamphetamine use versus remission.

OBJECTIVE: To evaluate whether cognitive performance in adults with active methamphetamine use (MA-ACT) differs from cognitive performance in adults in remission from MA use disorder (MA-REM) and adults without a history of substance use disorder (CTLs). METHOD: MA-ACT (n = 36), MA-REM (n = 48), and CTLs (n = 62) completed the Neuropsychological Assessment Battery (NAB). RESULTS: The MA-ACT group did not perform significantly worse than CTLs on any NAB Index. The MA-REM group performed significantly (p < 0.050) worse than CTLs on the NAB Memory Index. The MA-ACT group performed significantly better than CTLs and the MA-REM group on the Executive Functions Index. CONCLUSIONS: Some cognitive deficits are apparent during remission from MA use, but not during active use; this may result in clinical challenges for adults attempting to maintain recovery and continue with treatment.

Convex restrictions in physical design.

In a physical design problem, the designer chooses values of some physical parameters, within limits, to optimize the resulting field. We focus on the specific case in which each physical design parameter is the ratio of two field variables. This form occurs for photonic design with real scalar fields, diffusion-type systems, and others. We show that such problems can be reduced to a convex optimization problem, and therefore efficiently solved globally, given the sign of an optimal field at every point. This observation suggests a heuristic, in which the signs of the field are iteratively updated. This heuristic appears to have good practical performance on diffusion-type problems (including thermal design and resistive circuit design) and some control problems, while exhibiting moderate performance on photonic design problems. We also show in many practical cases there exist globally optimal designs whose design parameters are maximized or minimized at each point in the domain, i.e., that there is a discrete globally optimal structure.

CATMoS: Collaborative Acute Toxicity Modeling Suite.

BACKGROUND: Humans are exposed to tens of thousands of chemical substances that need to be assessed for their potential toxicity. Acute systemic toxicity testing serves as the basis for regulatory hazard classification, labeling, and risk management. However, it is cost- and time-prohibitive to evaluate all new and existing chemicals using traditional rodent acute toxicity tests. In silico models built using existing data facilitate rapid acute toxicity predictions without using animals. OBJECTIVES: The U.S. Interagency Coordinating Committee on the Validation of Alternative Methods (ICCVAM) Acute Toxicity Workgroup organized an international collaboration to develop in silico models for predicting acute oral toxicity based on five different end points: Lethal Dose 50 (LD50 value, U.S. Environmental Protection Agency hazard (four) categories, Globally Harmonized System for Classification and Labeling hazard (five) categories, very toxic chemicals [LD50 (LD50≤50mg/kg)], and nontoxic chemicals (LD50>2,000mg/kg). METHODS: An acute oral toxicity data inventory for 11,992 chemicals was compiled, split into training and evaluation sets, and made available to 35 participating international research groups that submitted a total of 139 predictive models. Predictions that fell within the applicability domains of the submitted models were evaluated using external validation sets. These were then combined into consensus models to leverage strengths of individual approaches. RESULTS: The resulting consensus predictions, which leverage the collective strengths of each individual model, form the Collaborative Acute Toxicity Modeling Suite (CATMoS). CATMoS demonstrated high performance in terms of accuracy and robustness when compared with in vivo results. DISCUSSION: CATMoS is being evaluated by regulatory agencies for its utility and applicability as a potential replacement for in vivo rat acute oral toxicity studies. CATMoS predictions for more than 800,000 chemicals have been made available via the National Toxicology Program's Integrated Chemical Environment tools and data sets (ice.ntp.niehs.nih.gov). The models are also implemented in a free, standalone, open-source tool, OPERA, which allows predictions of new and untested chemicals to be made. https://doi.org/10.1289/EHP8495.

Heuristic methods and performance bounds for photonic design.

In the photonic design problem, a scientist or engineer chooses the physical parameters of a device to best match some desired device behavior. Many instances of the photonic design problem can be naturally stated as a mathematical optimization problem that is computationally difficult to solve globally. Because of this, several heuristic methods have been developed to approximately solve such problems. These methods often produce very good designs, and, in many practical applications, easily outperform 'traditional' designs that rely on human intuition. Yet, because these heuristic methods do not guarantee that the approximate solution found is globally optimal, the question remains of just how much better a designer might hope to do. This question is addressed by performance bounds or impossibility results, which determine a performance level that no design can achieve. We focus on algorithmic performance bounds, which involve substantial computation to determine. We illustrate a variety of both heuristic methods and performance bounds on two examples. In these examples (and many others not reported here) the performance bounds show that the heuristic designs are nearly optimal, and can be considered globally optimal in practice. This review serves to clearly set up the photonic design problem and unify existing approaches for calculating performance bounds, while also providing some natural generalizations and properties.

Pareto Optimal Projection Search (POPS): Automated Radiation Therapy Treatment Planning by Direct Search of the Pareto Surface.

OBJECTIVE: Radiation therapy treatment planning is a time-consuming, iterative process with potentially high inter-planner variability. Fully automated treatment planning processes could reduce a planner's active treatment planning time and remove inter-planner variability, with the potential to tremendously improve patient turnover and quality of care. In developing fully automated algorithms for treatment planning, we have two main objectives: to produce plans that are 1) Pareto optimal and 2) clinically acceptable. Here, we propose the Pareto optimal projection search (POPS) algorithm, which provides a general framework for directly searching the Pareto front. METHODS: Our POPS algorithm is a novel automated planning method that combines two main search processes: 1) gradient-free search in the decision variable space and 2) projection of decision variables to the Pareto front using the bisection method. We demonstrate the performance of POPS by comparing with clinical treatment plans. As one possible quantitative measure of treatment plan quality, we construct a clinical acceptability scoring function (SF) modified from the previously developed general evaluation metric (GEM). RESULTS: On a dataset of 21 prostate cases collected as part of clinical workflow, our proposed POPS algorithm produces Pareto optimal plans that are clinically acceptable in regards to dose conformity, dose homogeneity, and sparing of organs-at-risk. CONCLUSION: Our proposed POPS algorithm provides a general framework for fully automated treatment planning that achieves clinically acceptable dosimetric quality without requiring active planning from human planners. SIGNIFICANCE: Our fully automated POPS algorithm addresses many key limitations of other automated planning approaches, and we anticipate that it will substantially improve treatment planning workflow.

A coupled UV photolysis-biodegradation process for the treatment of decabrominated diphenyl ethers in an aerobic novel bioslurry reactor.

The commercial flame retardant is an emerging contaminant (EC) commonly found in soils and sediments. A coupled UV-photolysis-biodegradation process was used to decompose decabromodiphenyl ether (BDE-209) in clay slurries. A novel bioslurry bioreactor (NBB) was employed in which BDE-209 degradation was maximized by the simultaneous application of LED UVA irradiation and biodegradation by a mixed bacterial culture. The rate of BDE-209 degradation decreased in the order: coupled UV photolysis-biodegradation (1.31 × 10-2 day-1) > UV photolysis alone (1.10 × 10-2 day-1) > biodegradation alone (1.00 × 10-2 day-1). Degradation intermediates detected included hydroxylated polybrominated diphenylethers, partially debrominated PBDE congeners and polybrominated dibenzofuran. The UV-resistant bacterial strains isolated that could utilize BDE-209 as a sole carbon source included Stenotrophomonas sp., Pseudomonas sp., and Microbacterium sp. These strains encoded important functional genes such as dioxygenase and reductive dehalogenases. Continuous UV irradiation during the NBB process affected various biochemical oxidative reactions during PBDEs biodegradation. Simultaneous photolysis and biodegradation in the NBB system described reduces operational time, energy, expense, and maintenance-demands required for the remediation of BDE-209 when compared to sequential UV-biodegradation process or to biodegradation alone.

Natural organic matter does not diminish the mammalian bioavailability of 2,3,7,8-tetrachlorodibenzo-p-dioxin.

2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) is a toxic and persistent organic pollutant found in soils and sediments. It has been linked to several adverse health outcomes in humans and wildlife, including suppression of the immune system. TCDD is strongly sorbed to soils/sediments due to its extremely low water solubility. Presently, the bioavailability of soil/sediment-sorbed TCDD to mammals is not completely understood. Our previous studies demonstrated that TCDD adsorbed to representative inorganic geosorbents (i.e. porous silica and smectite clay) exhibited the same bioavailability to mice as TCDD dissolved in corn oil, whereas sequestration by activated carbons eliminated TCDD bioavailability. In this study, we evaluated the effects of amorphous natural organic matter (NOM), primarily in the form of aquatic humic and fulvic acids, on the mouse bioavailability of TCDD. An aqueous suspension of TCDD mixed with NOM was administered to mice via oral gavage. The relative bioavailability of TCDD was assessed by two sensitive aryl hydrocarbon receptor-mediated responses in mice: 1) hepatic induction of cyp1A1 mRNA; and 2) suppression of immunoglobulin M (IgM) antibody-forming cell (AFC) response which is an indicator of immunotoxicity. Hepatic induction of cyp1A1 mRNA and suppression of IgM AFC induced by TCDD were similar in the NOM-sorbed form and dissolved in corn oil, revealing no loss of bioavailability when associated with NOM. Hence, NOM-associated TCDD is as capable of suppressing humoral immunity in mice as TCDD dissolved in corn oil, indicating that NOM-sorbed TCDD is likely to fully retain its bioavailability to mammals and, by inference, humans.

Uptake of cephalexin by lettuce, celery, and radish from water.

The introduction of pharmaceuticals into agricultural lands from the application of biosolids and animal manure, and irrigation with treated wastewater has led to concern for animal and human health after the ingestion of pharmaceutical-tainted agricultural products. In this study, the uptake and accumulation of cephalexin, a commonly prescribed antibiotic, was compared in three common vegetables (lettuce, celery, and radish) grown in nutrient solution for 144 h. During the uptake experiments, cephalexin concentration in the nutrient solution decreased in the order of radish > celery > lettuce, while the accumulation of cephalexin in vegetable roots followed the rank of lettuce > celery > radish. The accumulation of cephalexin was below the limit of detection in radish roots. No accumulation of cephalexin was observed in the shoots of all three vegetables. The behaviors of cephalexin in vivo were further elucidated using in vitro measurements of cephalexin sorption by vegetable roots and transformation in plant enzyme extracts. The affinity of cephalexin to lettuce > celery > radish roots, and the respective sorption coefficients of 687, 303, and 161 mL g-1, coupled to the transformation of cephalexin in root enzyme extracts with estimated reaction rate constants of 0.020, 0.027 and 0.024 hr-1 for lettuce, celery and radish, could help elucidate the accumulation observed in the in vivo experiments. Overall, sorption by plant roots (affinity) and reaction with plant enzymes could collectively influence the uptake and accumulation of cephalexin in vegetables.

Synthesis and evaluation of Fe3O4-impregnated activated carbon for dioxin removal.

Polychlorinated dibenzo-p-dioxins and -furans (PCDD/PCDFs) are highly toxic organic pollutants in soils and sediments which persist over timescales that extend from decades to centuries. There is a growing need to develop effective technologies for remediating PCDD/Fs-contaminated soils and sediments to protect human and ecosystem health. The use of sorbent amendments to sequester PCDD/Fs has emerged as one promising technology. A synthesis method is described here to create a magnetic activated carbon composite (AC-Fe3O4) for dioxin removal and sampling that could be recovered from soils using magnetic separation. Six AC-Fe3O4 composites were evaluated (five granular ACs (GACs) and one fine-textured powder AC(PAC)) for their magnetization and ability to sequester dibenzo-p-dioxin (DD). Both GAC/PAC and GAC/PAC-Fe3O4 composites effectively removed DD from aqueous solution. The sorption affinity of DD for GAC-Fe3O4 was slightly reduced compared to GAC alone, which is attributed to the blocking of sorption sites. The magnetization of a GAC-Fe3O4 composite reached 5.38 emu/g based on SQUID results, allowing the adsorbent to be easily separated from aqueous solution using an external magnetic field. Similarly, a fine-textured PAC-Fe3O4 composite was synthesized with a magnetization of 9.3 emu/g.

Impact of biochar amendment on the uptake, fate and bioavailability of pharmaceuticals in soil-radish systems.

Crops grown in soils receiving wastewaters, biosolids, or manures can accumulate pharmaceuticals in edible parts, raising concerns over potential human exposure to multiple pharmaceuticals. Nonetheless, viable mitigation options for minimizing plant uptake of pharmaceuticals are limited. This study evaluated how biochar amendment could influence the uptake of 15 pharmaceuticals by radish (Raphanus sativus) grown in a sandy loam at two amendment rates (0.1 and 1% w/w). Comparing with that in the unamended soil, the accumulation of acetaminophen, carbamazepine, sulfadiazine, sulfamethoxazole, lamotrigine, carbadox, trimethoprim, oxytetracycline, tylosin, estrone, and triclosan in radish grown in the soil amended with 1.0% of biochar was significantly decreased by 33.3-83.0%. However, the concentration of lincomycin in radish was increased by 36.7-48.2% in the soil amended with 1% biochar. While the soil amended with 1.0% of biochar had increased sorption of all 15 pharmaceuticals, the persistence of 7 pharmaceuticals in the soil were prolonged, including caffeine, sulfadiazine, sulfamethoxazole, lincomycin, estrone, 17 ß-estradiol and triclosan. The reduced plant uptake of pharmaceuticals was mainly due to their lowered concentrations in pore water by the presence of biochar. Overall, the estimated daily intake data suggest that biochar amendment could potentially decrease total human exposure to a mixture of pharmaceuticals.

Towards a post-conflict tourism recovery framework.

While there is an increasingly extant literature on tourism crises and disasters, a lacunae exists regarding robust conceptual and theoretical frameworks for reviving tourism in a post-conflict context. Holistic frameworks that build tourism resilience in post-conflict destinations is still considered an emerging area in crisis management research. This paper aims to address this gap. An in-depth critique of research across leading peer-reviewed tourism journals, involving 102 individual papers; 63 on crises and disasters, and 39 on tourism recovery frameworks, was undertaken to develop a post-conflict tourism recovery framework. The framework proposed synthesizes complex relationships for post-conflict destinations operating "on the edge of chaos", and enables consideration of key factors that influence their capacity to be resilient, adapt, and recover.