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1.
Environ Sci Technol ; 55(5): 2991-3000, 2021 Mar 02.
Artigo em Inglês | MEDLINE | ID: mdl-33587851

RESUMO

Food contamination is a major worldwide risk for human health. Dynamic plant uptake of pollutants from contaminated environments is the preferred pathway into the human and animal food chain. Mechanistic models represent a fundamental tool for risk assessment and the development of mitigation strategies. However, difficulty in obtaining comprehensive observations in the soil-plant continuum hinders their calibration, undermining their generalizability and raising doubts about their widespread applicability. To address these issues, a Bayesian probabilistic framework is used, for the first time, to calibrate and assess the predictive uncertainty of a mechanistic soil-plant model against comprehensive observations from an experiment on the translocation of carbamazepine in green pea plants. Results demonstrate that the model can reproduce the dynamics of water flow and solute reactive transport in the soil-plant domain accurately and with limited uncertainty. The role of different physicochemical processes in bioaccumulation of carbamazepine in fruits is investigated through Global Sensitivity Analysis, which shows how soil hydraulic properties and soil solute sorption regulate transpiration streams and bioavailability of carbamazepine. Overall, the analysis demonstrates the usefulness of mechanistic models and proposes a comprehensive numerical framework for their assessment and use.

2.
Sci Total Environ ; 746: 141134, 2020 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-32768780

RESUMO

Pharmaceuticals may enter soils due to the application of treated wastewater or biosolids. Their leakage from soils towards the groundwater, and their uptake by plants is largely controlled by sorption and degradation of those compounds in soils. Standard laboratory batch degradation and sorption experiments were performed using soil samples obtained from the top horizons of seven different soil types and 6 pharmaceuticals (carbamazepine, irbesartan, fexofenadine, clindamycin and sulfamethoxazole), which were applied either as single-solute solutions or as mixtures (not for sorption). The highest dissipation half-lives were observed for citalopram (average DT50,S for a single compound of 152 ±â€¯53.5 days) followed by carbamazepine (106.0 ±â€¯17.5 days), irbesartan (24.4 ±â€¯3.5 days), fexofenadine (23.5 ±â€¯20.9 days), clindamycin (10.8 ±â€¯4.2 days) and sulfamethoxazole (9.6 ±â€¯2.0 days). The simultaneous application of all compounds increased the half-lives (DT50,M) of all compounds (particularly carbamazepine, citalopram, fexofenadine and irbesartan), which is likely explained by the negative impact of antibiotics (sulfamethoxazole and clindamycin) on soil microbial community. However, this trend was not consistent in all soils. In several cases, the DT50,S values were even higher than the DT50,M values. Principal component analyses showed that while knowledge of basic soil properties determines grouping of soils according sorption behavior, knowledge of the microbial community structure could be used to group soils according to the dissipation behavior of tested compounds in these soils. The derived multiple linear regression models for estimating dissipation half-lives (DT50,S) for citalopram, clindamycin, fexofenadine, irbesartan and sulfamethoxazole always included at least one microbial factor (either amount of phosphorus in microbial biomass or microbial biomarkers derived from phospholipid fatty acids) that deceased half-lives (i.e., enhanced dissipations). Equations for citalopram, clindamycin, fexofenadine and sulfamethoxazole included the Freundlich sorption coefficient, which likely increased half-lives (i.e., prolonged dissipations).


Assuntos
Microbiota , Poluentes do Solo/análise , Adsorção , Solo , Sulfametoxazol , Águas Residuárias/análise
3.
J Contam Hydrol ; 234: 103680, 2020 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-32682147

RESUMO

Sorption of pharmaceuticals, which can occur in soils, may differ when present in a soil solution as a single compound or in a solution with other pharmaceuticals. Therefore, the sorption isotherms described by the Freundlich equations were evaluated for 6 compounds, which were applied in solutions of a single pharmaceutical, two pharmaceuticals or all pharmaceuticals to seven soils. Study mainly focused on a behavior of fexofenadine and irbesartan that occurred in soils in 3 forms (cationic, zwitter-ionic or neutral, anionic). Sorption of both compounds slightly increased (in some soils) when applied together, largely increased when applied with carbamazepine (neutral), and extremely increased when applied in solutions with citalopram (strongly sorbed cation), which could be explained by a cooperative multilayer sorption on soil constituents. On the other hand, sorption of both compounds moderately decreased when applied with clindamycin (cation and neutral) or sulfamethoxazole (neutral or anion). The magnitude of an increase or decrease in the Freundlich sorption coefficient (KF) for a particular compound depended on soil conditions, a form of compound's molecule and its interaction with molecules of other compounds. Despite sorption being influenced by other compound(s) in solution, the KF coefficients evaluated for a particular compound under the different conditions were mostly correlated with the same soil properties: KF,CAR with an organic carbon content, KF,CIT and KF,CLI with a base cation saturation, KF,SUL with hydrolytic acidity, and KF,FEX and KF,IRB with sorption complex saturation.

4.
J Environ Manage ; 250: 109407, 2019 Nov 15.
Artigo em Inglês | MEDLINE | ID: mdl-31472377

RESUMO

Sewage sludge from wastewater treatment plants, which may contain various contaminants including pharmaceuticals, is often used as a soil amendment. These contaminants may subsequently be taken up by plants. In the present study we examined uptake of select pharmaceuticals from sewage sludge applied to soils by spinach plants. Seven soils were amended with sewage sludge from two wastewater treatment plants (A and B). Concentrations of compounds in plant tissues (roots and leaves) of spinach planted 45 days in these soils under greenhouse conditions were evaluated after harvest. The largest bioaccumulation in the roots and leaves was observed for sertraline (bioaccumulation factors (BAF) of 3.3-37.9 and 1-13.4, respectively), tramadol (1.3-10.0 and 4.8-30.0), and carbamazepine (2.2-17.2 and 6.1-48.8) and its metabolite carbamazepine 10,11-epoxide (not-quantified to 7.3 and 9.3-96.7). Elevated bioaccumulation in spinach roots was also identified for telmisartan (3.0-20.3) and miconazole (4.3-15.1), and leaves for metoprolol acid (not-quantified to 24.3). BAF values resulting from application of sludge B were similar to or moderately higher than BAFs from sludge A. The BAF values of carbamazepine and carbamazepine 10,11-epoxide in all tissues were negatively correlated with soil cation exchange capacity (CEC). This negative correlation between BAF and CEC was also observed for tramadol (A-roots and B-leaves), citalopram (B-roots), and telmisartan (B-roots) or between BAF and clay content for metoprolol acid (A-leaves and B-roots), tramadol (B-roots and A-leaves) and venlafaxine (B-roots). However, in the case of some other compounds (i.e. sertraline, amitriptyline, mirtazapine, metoprolol), uptake and the subsequent translocation and transformation from 3 soils of a higher pH and base cation saturation (Stagnic Chernozem Siltic, Haplic Chernozem and Greyic Phaeozem) significantly differed from 4 soils with a lower pH and base cation saturation (Haplic Luvisol, Haplic Cambisol, Dystric Cambisol and Arenosol Epieutric). Such observations proved strong compound dependent influences of soil conditions on various compounds bioaccumulations in plants and necessity of studying these processes always in diverse soils.


Assuntos
Poluentes do Solo , Solo , Esgotos , Spinacia oleracea , Águas Residuárias
5.
Environ Sci Pollut Res Int ; 26(10): 9876-9891, 2019 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-30734257

RESUMO

Soils can be contaminated by pharmaceuticals. The aim of this study was to evaluate the impact of soil conditions (influencing sorption and persistence of pharmaceuticals in soils) and plant type on the root uptake of selected pharmaceuticals and their transformation in plant-soil systems. Four plants (lamb's lettuce, spinach, arugula, radish) planted in 3 soils were irrigated for 20 days (26) with water contaminated by one of 3 pharmaceuticals (carbamazepine, atenolol, sulfamethoxazole) or their mixture. The concentrations of pharmaceuticals and their metabolites in soils and plant tissues were evaluated after the harvest. Sulfamethoxazole and atenolol dissipated rapidly from soils. The larger concentrations of both compounds and an atenolol metabolite were found in roots than in leaves. Sulfamethoxazole metabolites were below the limits of quantifications. Carbamazepine was stable in soils, easily uptaken, accumulated, and metabolized in plant leaves. The efficiency of radish and arugula (both family Brassicaceae) in metabolizing was very low contrary to the high and moderate efficiencies of lamb's lettuce and spinach, respectively. Compounds' transformations mostly masked the soil impact on their accumulation in plant tissues. The negative relationships were found between the carbamazepine sorption coefficients and its concentrations in roots of radish, lamb's lettuce, and spinach.


Assuntos
Atenolol/metabolismo , Carbamazepina/metabolismo , Plantas/metabolismo , Poluentes do Solo/metabolismo , Sulfametoxazol/metabolismo , Carbamazepina/análise , Folhas de Planta/metabolismo , Raphanus/metabolismo , Solo , Poluentes do Solo/análise
6.
Chemosphere ; 195: 615-623, 2018 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-29287270

RESUMO

The sorption of 3 pharmaceuticals, which may exist in 4 different forms depending on the solution pH (irbesartan in cationic, neutral and anionic, fexofenadine in cationic, zwitter-ionic and anionic, and citalopram cationic and neutral), in seven different soils was studied. The measured sorption isotherms were described by Freundlich equations, and the sorption coefficients, KF (for the fixed n exponent for each compound), were related to the soil properties to derive relationships for estimating the sorption coefficients from the soil properties (i.e., pedotransfer rules). The largest sorption was obtained for citalopram (average KF value for n = 1 was 1838 cm3 g-1) followed by fexofenadine (KF = 35.1 cm3/n µg1-1/n g-1, n = 1.19) and irbesartan (KF = 3.96 cm3/n µg1-1/n g-1, n = 1.10). The behavior of citalopram (CIT) in soils was different than the behaviors of irbesartan (IRB) and fexofenadine (FEX). Different trends were documented according to the correlation coefficients between the KF values for different compounds (RIRB,FEX = 0.895, p-value<0.01; RIRB,CIT = -0.835, p-value<0.05; RFEX,CIT = -0.759, p-value<0.05) and by the reverse relationships between the KF values and soil properties in the pedotransfer functions. While the KF value for citalopram was positively related to base cation saturation (BCS) or sorption complex saturation (SCS) and negatively correlated to the organic carbon content (Cox), the KF values of irbesartan and fexofenadine were negatively related to BCS, SCS or the clay content and positively related to Cox. The best estimates were obtained by combining BCS and Cox for citalopram (R2 = 93.4), SCS and Cox for irbesartan (R2 = 96.3), and clay content and Cox for fexofenadine (R2 = 82.9).


Assuntos
Compostos de Bifenilo/metabolismo , Citalopram/metabolismo , Poluentes do Solo/análise , Poluentes do Solo/metabolismo , Terfenadina/análogos & derivados , Tetrazóis/metabolismo , Adsorção/fisiologia , Agricultura , Silicatos de Alumínio/química , Compostos de Bifenilo/análise , Citalopram/análise , Argila , Irbesartana , Solo/química , Terfenadina/análise , Terfenadina/metabolismo , Tetrazóis/análise , Águas Residuárias/análise , Águas Residuárias/química
7.
Environ Pollut ; 218: 574-585, 2016 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-27514306

RESUMO

Pharmaceuticals are a large group of substances that have been recognized as environmental contaminants in recent years. Research on the pharmaceutical fate in soils is currently limited or missing. In this study, three pharmaceuticals (atenolol (ATE), carbamazepine (CAR), and metoprolol (MET)) were introduced to soils and exposed for 61 day under aerobic conditions. Thirteen different soils were used in the study to increase the understanding of pharmaceutical behaviour in the soil matrix. Ten metabolites were detected and tentatively identified. Some of them, such as atenolol acid (AAC), carbamazepine 10,11-epoxide (EPC), 10,11-dihydrocarbamazepine (DHC), trans-10,11-Dihydro-10,11-dihydroxy carbamazepine (RTC), and metoprolol acid (MAC), were consequently confirmed using commercial reference standards. It was concluded that the aerobic conditions of the experiment determined the pharmaceutical degradation pathway of studied compounds in the soils. The different amounts/rates and degradation of the transformation products can be attributed to differences in the soil properties. ATE degraded relatively quickly compared with CAR, whereas MET degradation in the soils was unclear. The persistence of CAR and its metabolites, in combination with low CAR sorption, enable the transportation of CAR and its metabolites within soils and into the ground water. Thus, CAR may cause adverse effects on the environment and humans.


Assuntos
Atenolol/análise , Carbamazepina/análise , Metoprolol/análise , Poluentes do Solo/análise , Solo/química , Atenolol/metabolismo , Carbamazepina/análogos & derivados , Carbamazepina/metabolismo , Água Subterrânea/química , Humanos , Metoprolol/metabolismo , Poluentes do Solo/metabolismo
8.
Environ Pollut ; 218: 563-573, 2016 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-27460901

RESUMO

Soils may be contaminated by human or veterinary pharmaceuticals. Their behaviour in soil environment is largely controlled by sorption of different compounds in a soil solution onto soil constituents. Here we studied the sorption affinities of 4 pharmaceuticals (atenolol, trimethoprim, carbamazepine and sulfamethoxazole) applied in solute mixtures to soils taken from different horizons of 3 soil types (Greyic Phaeozem on loess, Haplic Luvisol on loess and Haplic Cambisol on gneiss). In the case of the carbamazepine (neutral form) and sulfamethoxazole (partly negatively charged and neutral), sorption affinity of compounds decreased with soil depth, i.e. decreased with soil organic matter content. On the other hand, in the case of atenolol (positively charged) and trimethoprim (partly positively charged and neutral) compound sorption affinity was not depth dependent. Compound sorption affinities in the four-solute systems were compared with those experimentally assessed in topsoils, and were estimated using the pedotransfer rules proposed in our previous study for single-solute systems. While sorption affinities of trimethoprim and carbamazepine in topsoils decreased slightly, sorption affinity of sulfamethoxazole increased. Decreases in sorption of the two compounds could be attributed to their competition between each other and competition with atenolol. Differences between carbamazepine and atenolol behaviour in the one- and four-solute systems could also be explained by the slightly different soil properties in this and our previous study. A great increase of sulfamethoxazole sorption in the Greyic Phaeozem and Haplic Luvisol was observed, which was attributed to elimination of repulsion between negatively charged molecules and particle surfaces due to cation sorption (atenolol and trimethoprim) on soil particles. Thus, our results proved not only an antagonistic but also a synergic affect of differently charged organic molecules on their sorption to soil constituents.


Assuntos
Preparações Farmacêuticas/análise , Poluentes do Solo/análise , Solo/química , Adsorção , Atenolol/análise , Carbamazepina/análise , Íons , Sulfametoxazol/análise , Trimetoprima/análise
9.
Sci Total Environ ; 544: 369-81, 2016 Feb 15.
Artigo em Inglês | MEDLINE | ID: mdl-26657382

RESUMO

The presence of human and veterinary pharmaceuticals in the environment is recognized as a potential threat. Pharmaceuticals have the potential to contaminate soils and consequently surface and groundwater. Knowledge of contaminant behavior (e.g., sorption onto soil particles and degradation) is essential when assessing contaminant migration in the soil and groundwater environment. We evaluated the dissipation half-lives of 7 pharmaceuticals in 13 soils. The data were evaluated relative to the soil properties and the Freundlich sorption coefficients reported in our previous study. Of the tested pharmaceuticals, carbamazepine had the greatest persistence (which was mostly stable), followed by clarithromycin, trimethoprim, metoprolol, clindamycin, sulfamethoxazole and atenolol. Pharmaceutical persistence in soils was mostly dependent on the soil-type conditions. In general, lower average dissipation half-lives and variability (i.e., trimethoprim, sulfamethoxazole, clindamycin, metoprolol and atenolol) were found in soils of better quality (well-developed structure, high nutrition content etc.), and thus, probably better microbial conditions (i.e., Chernozems), than in lower quality soil (Cambisols). The impact of the compound sorption affinity onto soil particles on their dissipation rate was mostly negligible. Although there was a positive correlation between compound dissipation half-life and Freundlich sorption coefficient for clindamycin (R=0.604, p<0.05) and sulfamethoxazole (R=0.822, p<0.01), the half-life of sulfamethoxazole also decreased under better soil-type conditions. Based on the calculated dissipation and sorption data, carbamazepine would be expected to have the greatest potential to migrate in the soil water environment, followed by sulfamethoxazole, trimethoprim and metoprolol. The transport of clindamycin, clarithromycin and atenolol through the vadose zone seems less probable.


Assuntos
Modelos Químicos , Poluentes do Solo/análise , Solo/química , Biodegradação Ambiental , Carbamazepina/análise , Meia-Vida , Sulfametoxazol/análise , Trimetoprima/análise
10.
Appl Spectrosc ; 69(12): 1425-31, 2015 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-26555184

RESUMO

From a wide range of techniques appropriate to relate spectra measurements with soil properties, partial least squares (PLS) regression and support vector machines (SVM) are most commonly used. This is due to their predictive power and the availability of software tools. Both represent exclusively statistically based approaches and, as such, benefit from multiple responses of soil material in the spectrum. However, physical-based approaches that focus only on a single spectral feature, such as simple linear regression using selected continuum-removed spectra values as a predictor variable, often provide accurate estimates. Furthermore, if this approach extends to multiple cases by taking into account three basic absorption feature parameters (area, width, and depth) of all occurring features as predictors and subjecting them to best subset selection, one can achieve even higher prediction accuracy compared with PLS regression. Here, we attempt to further extend this approach by adding two additional absorption feature parameters (left and right side area), as they can be important diagnostic markers, too. As a result, we achieved higher prediction accuracy compared with PLS regression and SVM for exchangeable soil pH, slightly higher or comparable for dithionite-citrate and ammonium oxalate extractable Fe and Mn forms, but slightly worse for oxidizable carbon content. Therefore, we suggest incorporating the multiple linear regression approach based on absorption feature parameters into existing working practices.


Assuntos
Solo/química , Espectroscopia de Luz Próxima ao Infravermelho/métodos , Absorção Fisico-Química , Calibragem , Análise dos Mínimos Quadrados , Modelos Lineares , Máquina de Vetores de Suporte
11.
PLoS One ; 10(2): e0117457, 2015.
Artigo em Inglês | MEDLINE | ID: mdl-25692671

RESUMO

In order to monitor Potentially Toxic Elements (PTEs) in anthropogenic soils on brown coal mining dumpsites, a large number of samples and cumbersome, time-consuming laboratory measurements are required. Due to its rapidity, convenience and accuracy, reflectance spectroscopy within the Visible-Near Infrared (Vis-NIR) region has been used to predict soil constituents. This study evaluated the suitability of Vis-NIR (350-2500 nm) reflectance spectroscopy for predicting PTEs concentration, using samples collected on large brown coal mining dumpsites in the Czech Republic. Partial Least Square Regression (PLSR) and Support Vector Machine Regression (SVMR) with cross-validation were used to relate PTEs data to the reflectance spectral data by applying different preprocessing strategies. According to the criteria of minimal Root Mean Square Error of Prediction of Cross Validation (RMSEPcv) and maximal coefficient of determination (R2cv) and Residual Prediction Deviation (RPD), the SVMR models with the first derivative pretreatment provided the most accurate prediction for As (R2cv) = 0.89, RMSEPcv = 1.89, RPD = 2.63). Less accurate, but acceptable prediction for screening purposes for Cd and Cu (0.66 ˂ R2cv) ˂ 0.81, RMSEPcv = 0.0.8 and 4.08 respectively, 2.0 ˂ RPD ˂ 2.5) were obtained. The PLSR model for predicting Mn (R2cv) = 0.44, RMSEPcv = 116.43, RPD = 1.45) presented an inadequate model. Overall, SVMR models for the Vis-NIR spectra could be used indirectly for an accurate assessment of PTEs' concentrations.


Assuntos
Minas de Carvão , Solo/química , Monitoramento Ambiental , Poluição Ambiental/análise , Máquina de Vetores de Suporte
12.
Sci Total Environ ; 511: 435-43, 2015 Apr 01.
Artigo em Inglês | MEDLINE | ID: mdl-25569579

RESUMO

Transport of human and veterinary pharmaceuticals in soils and consequent ground-water contamination are influenced by many factors, including compound sorption on soil particles. Here we evaluate the sorption isotherms for 7 pharmaceuticals on 13 soils, described by Freundlich equations, and assess the impact of soil properties on various pharmaceuticals' sorption on soils. Sorption of ionizable pharmaceuticals was, in many cases, highly affected by soil pH. The sorption coefficient of sulfamethoxazole was negatively correlated to soil pH, and thus positively related to hydrolytic acidity and exchangeable acidity. Sorption coefficients for clindamycin and clarithromycin were positively related to soil pH and thus negatively related to hydrolytic acidity and exchangeable acidity, and positively related to base cation saturation. The sorption coefficients for the remaining pharmaceuticals (trimethoprim, metoprolol, atenolol, and carbamazepine) were also positively correlated with the base cation saturation and cation exchange capacity. Positive correlations between sorption coefficients and clay content were found for clindamycin, clarithromycin, atenolol, and metoprolol. Positive correlations between sorption coefficients and organic carbon content were obtained for trimethoprim and carbamazepine. Pedotransfer rules for predicting sorption coefficients of various pharmaceuticals included hydrolytic acidity (sulfamethoxazole), organic carbon content (trimethoprimand carbamazepine), base cation saturation (atenolol and metoprolol), exchangeable acidity and clay content (clindamycin), and soil active pH and clay content (clarithromycin). Pedotransfer rules, predicting the Freundlich sorption coefficients, could be applied for prediction of pharmaceutical mobility in soils with similar soil properties. Predicted sorption coefficients together with pharmaceutical half-lives and other imputes (e.g., soil-hydraulic, geological, hydro-geological, climatic) may be used for assessing potential ground-water contamination.


Assuntos
Absorção Fisico-Química , Preparações Farmacêuticas/química , Poluentes do Solo/química , Solo/química , Modelos Químicos , Preparações Farmacêuticas/análise , Poluentes do Solo/análise
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