Os poluentes orgânicos emergentes (POE) são compostos químicos presentes numa variedade de produtos comerciais como medicamentos, produtos de higiene, agrotóxicos, surfactantes, dentre outros, podendo ser encontrados em matrizes ambientais e biológicas. Esses poluentes não são usualmente monitorados ou ainda não possuem legislação regulatória correspondente, mas apresentam risco à saúde humana e ao meio ambiente. Dentre esses POE, podemos destacar o nonilfenol etoxilado, um surfactante não-iônico utilizado no desengraxe alcalino da indústria de galvanoplastia. Esse surfactante possui uma recalcitrância e toxidade que aumenta com a diminuição do número de grupos etoxilados, processo que ocorre quando ele é biodegradado. Alguns dos produtos da biodegradação são o nonilfenol com 4, 3, 2 ou 1 grau de etoxilação e nonilfenol, este considerado disruptor endócrino imitando o hormônio natural 17β-estradiol. Tratamentos convencionais de efluentes e água não são eficientes para degradação completa desses compostos. O emprego de processos mais eficientes, como processos oxidativos e oxidativos avançados tais como a Eletrólise (E), Fotólise direta (F), Fotocatálise heterogênea (FH) e a fotoeletrooxidação (FEO), tecnologias limpas que utilizam o elétron e o fóton como reagentes, têm sido proposto como opção para a degradação desses compostos, evitando assim a contaminação dos recursos hídricos. Este trabalho foi realizado com uma solução baseada na composição de um efluente industrial contendo nonilfenol etoxilado com 4 graus de etoxilação. Os ensaios de FEO foram realizados em triplicata, variando-se a densidade de corrente, potência de lâmpada e o tempo de tratamento. Além disso, foram realizados, para efeito de comparação e elucidação de mecanismos, ensaios de eletrólise, fotólise direta e fotocatálise heterogêna. As amostras coletadas antes e após os processos oxidativos foram caracterizadas por diferentes métodos analíticos e por toxicidade. Verificou-se que no tempo de tratamento de 240 minutos as diferentes configurações de FEO não foram suficientemente eficazes na degradação de todo o poluente que se encontra na solução inicial, entretanto, a configuração FEO3 não gerou metabólitos mais tóxicos, não apresentou diferença de germinação e de crescimento de raiz, não apresentando também citotoxicidade e genotoxicidade em alface e em cebola, apresentando toxicidade apenas em peixes em uma concentração de 70,71%, o que pode ser evitado com o aumentando do tempo de tratamento, à vista disso, o processo de FEO torna-se uma opção na degradação do nonilfenol etoxilado e de outros POE, evitando assim que esses atinjam os recursos hídricos. / The emerging organic pollutants (POE) are chemical compounds present in a variety of commercial products such as medicines, toiletries, pesticides, surfactants, among others, can be found in environmental and biological matrices. These pollutants are usually not monitored or have no corresponding regulatory legislation, but present risk to human health and the environment. POE Among these, we highlight the nonylphenol ethoxylate, one non-ionic surfactant used in degreasing alkaline electroplating industry. This surfactant has a recalcitrance and toxicity increases with the decrease of the number of ethoxylate groups, a process which occurs when it is biodegraded. Some of the products of biodegradation are nonylphenol with 4, 3, 2 or 1 degree of ethoxylation of nonylphenol and this considered endocrine disruptor mimicking the natural hormone 17β -estradiol. Conventional treatment of sewage and water are not efficient for complete degradation of these compounds. The use of more efficient processes, such as oxidation and advanced oxidation processes such as direct photolysis (F), Electrolysis (E), heterogeneous photocatalysis (FH) and photoelectrooxidation (FEO), clean technologies that utilize the electron and photon reagents have been proposed as an option to the degradation of such compounds, thereby avoiding the contamination of water resources. This work was carried out with a solution based on the composition of an industrial effluent containing nonylphenol ethoxylate with 4 degrees of ethoxylation. FEO assays were performed in triplicate, by varying the current density lamp power and treatment time. In addition, we performed, for comparison and elucidation of mechanisms, testing electrolysis, photolysis and photocatalysis heterogenous. The samples collected before and after the oxidative processes were characterized by different analytical methods and toxicity. It was found that treatment time of 240 minutes, the FEO different configurations were not efficient enough to degrade any pollutants that is in the initial solution, however, the configuration FEO3 not more toxic metabolites generated no significant difference in seed germination and root growth, no significant cytotoxicity and genotoxicity also in lettuce and onion, showing toxicity on fish only at a concentration of 70.71 %, which can be avoided by increasing treatment time, the sight, the process of FEO becomes an option in the degradation of nonylphenol ethoxylate and other POE, thus preventing it reaches the water.

Os poluentes orgânicos emergentes (POE) são compostos químicos presentes numa variedade de produtos comerciais como medicamentos, produtos de higiene, agrotóxicos, surfactantes, dentre outros, podendo ser encontrados em matrizes ambientais e biológicas. Esses poluentes não são usualmente monitorados ou ainda não possuem legislação regulatória correspondente, mas apresentam risco à saúde humana e ao meio ambiente. Dentre esses POE, podemos destacar o nonilfenol etoxilado, um surfactante não-iônico utilizado no desengraxe alcalino da indústria de galvanoplastia. Esse surfactante possui uma recalcitrância e toxidade que aumenta com a diminuição do número de grupos etoxilados, processo que ocorre quando ele é biodegradado. Alguns dos produtos da biodegradação são o nonilfenol com 4, 3, 2 ou 1 grau de etoxilação e nonilfenol, este considerado disruptor endócrino imitando o hormônio natural 17β-estradiol. Tratamentos convencionais de efluentes e água não são eficientes para degradação completa desses compostos. O emprego de processos mais eficientes, como processos oxidativos e oxidativos avançados tais como a Eletrólise (E), Fotólise direta (F), Fotocatálise heterogênea (FH) e a fotoeletrooxidação (FEO), tecnologias limpas que utilizam o elétron e o fóton como reagentes, têm sido proposto como opção para a degradação desses compostos, evitando assim a contaminação dos recursos hídricos. Este trabalho foi realizado com uma solução baseada na composição de um efluente industrial contendo nonilfenol etoxilado com 4 graus de etoxilação. Os ensaios de FEO foram realizados em triplicata, variando-se a densidade de corrente, potência de lâmpada e o tempo de tratamento. Além disso, foram realizados, para efeito de comparação e elucidação de mecanismos, ensaios de eletrólise, fotólise direta e fotocatálise heterogêna. As amostras coletadas antes e após os processos oxidativos foram caracterizadas por diferentes métodos analíticos e por toxicidade. Verificou-se que no tempo de tratamento de 240 minutos as diferentes configurações de FEO não foram suficientemente eficazes na degradação de todo o poluente que se encontra na solução inicial, entretanto, a configuração FEO3 não gerou metabólitos mais tóxicos, não apresentou diferença de germinação e de crescimento de raiz, não apresentando também citotoxicidade e genotoxicidade em alface e em cebola, apresentando toxicidade apenas em peixes em uma concentração de 70,71%, o que pode ser evitado com o aumentando do tempo de tratamento, à vista disso, o processo de FEO torna-se uma opção na degradação do nonilfenol etoxilado e de outros POE, evitando assim que esses atinjam os recursos hídricos. / The emerging organic pollutants (POE) are chemical compounds present in a variety of commercial products such as medicines, toiletries, pesticides, surfactants, among others, can be found in environmental and biological matrices. These pollutants are usually not monitored or have no corresponding regulatory legislation, but present risk to human health and the environment. POE Among these, we highlight the nonylphenol ethoxylate, one non-ionic surfactant used in degreasing alkaline electroplating industry. This surfactant has a recalcitrance and toxicity increases with the decrease of the number of ethoxylate groups, a process which occurs when it is biodegraded. Some of the products of biodegradation are nonylphenol with 4, 3, 2 or 1 degree of ethoxylation of nonylphenol and this considered endocrine disruptor mimicking the natural hormone 17β -estradiol. Conventional treatment of sewage and water are not efficient for complete degradation of these compounds. The use of more efficient processes, such as oxidation and advanced oxidation processes such as direct photolysis (F), Electrolysis (E), heterogeneous photocatalysis (FH) and photoelectrooxidation (FEO), clean technologies that utilize the electron and photon reagents have been proposed as an option to the degradation of such compounds, thereby avoiding the contamination of water resources. This work was carried out with a solution based on the composition of an industrial effluent containing nonylphenol ethoxylate with 4 degrees of ethoxylation. FEO assays were performed in triplicate, by varying the current density lamp power and treatment time. In addition, we performed, for comparison and elucidation of mechanisms, testing electrolysis, photolysis and photocatalysis heterogenous. The samples collected before and after the oxidative processes were characterized by different analytical methods and toxicity. It was found that treatment time of 240 minutes, the FEO different configurations were not efficient enough to degrade any pollutants that is in the initial solution, however, the configuration FEO3 not more toxic metabolites generated no significant difference in seed germination and root growth, no significant cytotoxicity and genotoxicity also in lettuce and onion, showing toxicity on fish only at a concentration of 70.71 %, which can be avoided by increasing treatment time, the sight, the process of FEO becomes an option in the degradation of nonylphenol ethoxylate and other POE, thus preventing it reaches the water.

Water-in-oil (w/o) microemulsion systems, stabilised by either an anionic surfactant or a cationic surfactant were studied. The anionic system consisted of ethoxylated nonylphenol phosphate esters (Atpol), Shellsol oil and an alcohol. These microemulsions tolerated an increase in ionic strength of the water phase up to a point: Beyond this point no microemulsion could be obtained. However, adding amine salts, e.g. diethanolamine nitrite, improved the emulsification of the aqueous phase. Increasing the alcohol (cosurfactant) chain length up to octanol also increased the uptake of the aqueous phase. Thus octanol yielded the best results in terms of emulsifying large volumes of the water-phase, particularly at high salt concentrations. A key objective was to prepare stable microemulsions with high nitrite content. The maximum microemulsion nitrite contents (expressed as NaNO2equivalent by mass) achieved were: -- About 10% when a 30% NaNO2solution was emulsified -- 23% when neat diethyl ethanolamine nitrite (DEEAN) was solubilized, and -- 23% for mixtures of diethanolamine nitrite (DEtOHAN) and NaNO2 in water. The cationic microemulsion system was based on the double-chain cationic surfactant, didodecyldimethyl ammonium chloride (DDAC). In this case the solubilization of the following acetate salts were investigated: ammonium, sodium, magnesium, zinc and manganese. As with the Atpol system, it was found that increasing the ionic strength is detrimental to microemulsification of the aqueous phase. In the DDAC system, an increase in the alcohol chain length beyond butanol led to reduced aqueous phase uptake. Thus the natures and concentrations of the surfactant and the cosurfactant as well as the ionic strength of the aqueous phase determine the stability and the emulsification of large volumes of aqueous phase. In general there is an optimum ionic strength at which the salt content of the microemulsion formulation is maximised. / Dissertation (MSc (Chemistry))--University of Pretoria, 2007. / Chemistry / unrestricted

Os poluentes orgânicos emergentes (POE) são compostos químicos presentes numa variedade de produtos comerciais como medicamentos, produtos de higiene, agrotóxicos, surfactantes, dentre outros, podendo ser encontrados em matrizes ambientais e biológicas. Esses poluentes não são usualmente monitorados ou ainda não possuem legislação regulatória correspondente, mas apresentam risco à saúde humana e ao meio ambiente. Dentre esses POE, podemos destacar o nonilfenol etoxilado, um surfactante não-iônico utilizado no desengraxe alcalino da indústria de galvanoplastia. Esse surfactante possui uma recalcitrância e toxidade que aumenta com a diminuição do número de grupos etoxilados, processo que ocorre quando ele é biodegradado. Alguns dos produtos da biodegradação são o nonilfenol com 4, 3, 2 ou 1 grau de etoxilação e nonilfenol, este considerado disruptor endócrino imitando o hormônio natural 17β-estradiol. Tratamentos convencionais de efluentes e água não são eficientes para degradação completa desses compostos. O emprego de processos mais eficientes, como processos oxidativos e oxidativos avançados tais como a Eletrólise (E), Fotólise direta (F), Fotocatálise heterogênea (FH) e a fotoeletrooxidação (FEO), tecnologias limpas que utilizam o elétron e o fóton como reagentes, têm sido proposto como opção para a degradação desses compostos, evitando assim a contaminação dos recursos hídricos. Este trabalho foi realizado com uma solução baseada na composição de um efluente industrial contendo nonilfenol etoxilado com 4 graus de etoxilação. Os ensaios de FEO foram realizados em triplicata, variando-se a densidade de corrente, potência de lâmpada e o tempo de tratamento. Além disso, foram realizados, para efeito de comparação e elucidação de mecanismos, ensaios de eletrólise, fotólise direta e fotocatálise heterogêna. As amostras coletadas antes e após os processos oxidativos foram caracterizadas por diferentes métodos analíticos e por toxicidade. Verificou-se que no tempo de tratamento de 240 minutos as diferentes configurações de FEO não foram suficientemente eficazes na degradação de todo o poluente que se encontra na solução inicial, entretanto, a configuração FEO3 não gerou metabólitos mais tóxicos, não apresentou diferença de germinação e de crescimento de raiz, não apresentando também citotoxicidade e genotoxicidade em alface e em cebola, apresentando toxicidade apenas em peixes em uma concentração de 70,71%, o que pode ser evitado com o aumentando do tempo de tratamento, à vista disso, o processo de FEO torna-se uma opção na degradação do nonilfenol etoxilado e de outros POE, evitando assim que esses atinjam os recursos hídricos. / The emerging organic pollutants (POE) are chemical compounds present in a variety of commercial products such as medicines, toiletries, pesticides, surfactants, among others, can be found in environmental and biological matrices. These pollutants are usually not monitored or have no corresponding regulatory legislation, but present risk to human health and the environment. POE Among these, we highlight the nonylphenol ethoxylate, one non-ionic surfactant used in degreasing alkaline electroplating industry. This surfactant has a recalcitrance and toxicity increases with the decrease of the number of ethoxylate groups, a process which occurs when it is biodegraded. Some of the products of biodegradation are nonylphenol with 4, 3, 2 or 1 degree of ethoxylation of nonylphenol and this considered endocrine disruptor mimicking the natural hormone 17β -estradiol. Conventional treatment of sewage and water are not efficient for complete degradation of these compounds. The use of more efficient processes, such as oxidation and advanced oxidation processes such as direct photolysis (F), Electrolysis (E), heterogeneous photocatalysis (FH) and photoelectrooxidation (FEO), clean technologies that utilize the electron and photon reagents have been proposed as an option to the degradation of such compounds, thereby avoiding the contamination of water resources. This work was carried out with a solution based on the composition of an industrial effluent containing nonylphenol ethoxylate with 4 degrees of ethoxylation. FEO assays were performed in triplicate, by varying the current density lamp power and treatment time. In addition, we performed, for comparison and elucidation of mechanisms, testing electrolysis, photolysis and photocatalysis heterogenous. The samples collected before and after the oxidative processes were characterized by different analytical methods and toxicity. It was found that treatment time of 240 minutes, the FEO different configurations were not efficient enough to degrade any pollutants that is in the initial solution, however, the configuration FEO3 not more toxic metabolites generated no significant difference in seed germination and root growth, no significant cytotoxicity and genotoxicity also in lettuce and onion, showing toxicity on fish only at a concentration of 70.71 %, which can be avoided by increasing treatment time, the sight, the process of FEO becomes an option in the degradation of nonylphenol ethoxylate and other POE, thus preventing it reaches the water.

Alkylphenol ethoxylates (APEs) are widely used in industrial and household products as surfactants. APEs degrade into more toxic ethoxylates, such as 4-nonylphenol (NP), which has been shown to be an endocrine disruptor and enhance the growth of tumor cells. Nonylphenol is wider spread in Pacific estuaries than originally thought. Organisms in Morro Bay, California contain some of the highest concentrations of NP reported, while containing few other contaminants. As a benthic mud-dwelling fish, the arrow goby (Clevelandia ios) may be exposed to high levels of NP due to high contaminant sequestration rates in anaerobic mud. While ecotoxicology suggests that nonylphenol is in high concentration within C. ios tissues along with tissue level biological abnormalities, the molecular effects of nonylphenol on these fish have yet to be investigated. Utilizing proteomic techniques including two-dimensional gel electrophoresis and subsequent identification via MALDI-TOF/TOF mass spectrometry, there is evidence for change in expression of proteins involved in energy metabolism, biotransformation, regulation and cellular structure.

Endocrine disrupting chemicals (EDCs) are compounds that can interfere with hormone signaling pathways and are now recognized as pervasive in estuarine and marine waters. One prevalent EDC in California’s coastal waters is the xenoestrogen 4-nonylphenol (4-NP), which has been shown to impair reproduction, development, growth, and in some cases immune function of marine invertebrates. To further investigate effects of 4-NP on marine invertebrate immune function we measured total hemocyte counts (THC), relative transcript abundance of immune-relevant genes, and lysozyme activity in Pacific oysters (Crassostrea gigas) following bacterial infection. To quantify these effects we exposed oysters to dissolved phase 4-NP at high (100 μg l-1), low (2 μg l-1), or control (100 μl ethanol) concentrations for 7 days, and then experimentally infected (via injection into the adductor muscle) the oysters with the marine bacterium Vibrio campbellii. 4-NP significantly altered the effects of bacterial infection had on THC. Oysters exposed to both high and low 4-NP did not experience a bacteria-induced increase in THC, as seen in control oysters. We also determined that V. campbellii infection induced differential expression of a subset of immune-related genes tested (Cg-bigdef2, Cg-bpi1, Cg-lys1, Cg-timp) in some, but not all, tissues; 4-NP exposure altered expression patterns in two of these genes (Cg-bpi1 and Cg-tgase). Exposure to 4-NP alone also caused differential expression in some genes (Cg-bpi1, Cg-galectin1, Cg-clec2). Lastly, low levels of 4-NP significantly increased lysozyme activity 24 h post-infection. These results suggest that exposure to 4-NP can alter both cellular and humoral immune responses to bacterial infection in C. gigas.

This diploma thesis is focused on the issue of nonylphenol, degradation product of surfactants. Nonylphenol however most often arises in wastewater treatment plants predominantly during the microbial degradation of nonylphenol ethoxylates used in industry. It is a substance highly bioaccumulative, toxic predominantly to aquatic organisms. Furthermore, it belongs among hormone disruptors. The detailed research was prepared, on the basis which experimental part of diploma thesis was solved. Nonylphenol was determined in samples of the wastewater. The solid phase extraction (SPE) was used for the isolation of the analyte and purification of the extract. The final determination was performed on the gas chromatography with tandem mass spectrometry with time of flight analyzer (TOF). All steps of the preanalytical and the analytical procedure were optimized.

Dans le cadre de l'élimination de composés réfractaires contenu dans une matrice complexe, les procédés d'oxydation avancée s'avèrent être une technologie de choix. Cette étude est donc consacrée à la sonolyse et à la photolyse de deux xénobiotiques organiques, le naphthol blue black (un colorant hydrophile, noté NBB) et le nonylphénol (un détergent, hydrophobe et volatil, noté NP), seuls ou en compétition. L'efficacité de la technique ultrasonore de haute fréquence (278 kHz) a été testée sur les molécules cibles et leur mélange. La décoloration du NBB est effective après 180 min de traitement et s'accompagne d'une minéralisation de 23% alors que le NP se dégrade après 120 min. L'effet des paramètres a été étudié, tels que la puissance ultrasonore, la concentration du substrat, le pH, les ions inorganiques (bicarbonates et phosphates) et la compétition. Ainsi dans le mélange, la présence du NBB n'a pas d'influence sur la disparition sur NP tandis que la décoloration du NBB est affectée par la présence du NP. Cependant, la présence des ions bicarbonates dans le mélange permet par l'intermédiaire des radicaux carbonates de contrebalancer l'effet inhibiteur du NP. L'utilisation de la photolyse directe a fait l'objet de la deuxième partie de ce travail, ce qui a permis de faire une étude comparative des deux techniques. Il a été montré que la sonochimie, fort de sa capacité à produire abondamment les radicaux HO•, est plus adaptée au traitement des effluents relativement plus concentrés. De plus, la sonochimie permet de mettre en valeur les ions inorganiques, constituants naturels de l'eau pour minimiser l'effet inhibiteur de la matrice. Ensuite, l'efficacité de certains Procédés d'Oxydation Avancée (POA) sur l'élimination des xénobiotiques sus-mentionnés a été testée et les résultats obtenus ont donné lieu à l'ordre suivant : UV < UV/H2O2 < Fe2+/H2O2 < UV/Fe2+/H2O2. / Within the framework of the destruction of refractory organics contained in a complex aqueous matrix, the advanced oxidation processes appear to be a first class technology. So this survey is dedicated to the sonolysis and the photolysis of two organics, namely the naphthol blue black (an acid azo-dye, hydrophilic, noted NBB) and the nonylphenol (a detergent, hydrophobic et volatile, noted NP), single or in competition. High frequency (278 kHz) ultrasound is found to be efficient. NBB decolorization is effective within 180 min and its mineralization reaches 23% while NP is degraded for 120 min. Different parameters were studied, such as ultrasound power, substrate concentration, pH, inorganic ions (bicarbonate and phosphate), and competition. In the NBB/NP mixture, NBB has no influence on the NP degradation whereas NP has a strong effect on the NBB decolorization. Nevertheless, the presence of bicarbonate ions in the mixture reduces the negative effect of NP, thanks to the formation of carbonates radicals. Direct photolysis is the topic of the second part of this study, so as to make a comparison of these two oxidative techniques. It was emphasizes that sonolysis is most adapted for the treatment of more concentrated pollutant, because of the intense production of HO• radicals. Moreover sonolysis is relevant when inorganic ions are present in the mixture, in order to minimize the competition between organics. Then the efficiency of different AOP was tested for the two target pollutants; results can be organized according the following: UV < UV/H2O2 < Fe2+/H2O2 < UV/Fe2+/H2O2.

Osmoregulation is an essential process to maintain water and ionic balance and when euryhaline fish move between freshwater and seawater environments as part of their life cycle this presents additional osmoregulatory challenges. Migrating fish can be exposed in both environments to pollutants such as endocrine disrupting chemicals (EDCs) that include natural hormones (e.g. 17β-estradiol; E2), synthetic hormones (e.g. 17α-ethinylestradiol; EE2), and industrial chemicals (e.g. nonylphenol). The focus of this thesis was to study the effects of different categories of EDCs on the osmoregulatory functions of euryhaline fish such as three-spined sticklebacks (Gasterosteus aculeatus) and rainbow trout (Oncorhynchus mykiss). Osmoregulatory variables (such as osmolality, water and ionic content) were compared in plasma and tissues (white muscle and carcass) of rainbow trout. This validated the use of specific tissue parameters as a surrogate of plasma responses to various osmoregulatory challenges. Waterborne exposure to 17α-ethinylestradiol revealed differential sensitivity of vitellogenesis in the three-spined sticklebacks (no induction) and rainbow trout, but had a significant effect on calcium homeostasis in both species. Intraperitoneal implants of 17β-estradiol reduced CaCO3 production and apparent water absorption in the intestine and increased in tissue calcium stores of seawater-acclimated trout, but fish were able to compensate and showed no overall osmoregulatory disturbance. Waterborne exposure to nonylphenol in freshwater trout was also investigated, but no effects on osmoregulation were found up to 2 ng/l. Overall, estrogens can affect osmoregulation differentially in euryhaline fish species, and sometimes at EDC levels lower than the threshold for reproductive effects (i.e. vitellogenin induction).

In many countries around the world, municipal sewage and industrial wastewaters are typically treated, or sometimes only partially treated, prior to their discharge into surface waters. A major anionic surfactant, Linear Alkyl benzene Sulfonate (LAS), and a degraded product of a non-ionic surfactant, Nonylphenol (NP), are frequently found in municipal wastewaters. When wastewater containing such surfactants and their degraded products is used for irrigation, it can have an effect on the sorption/desorption and movement of pesticides in soils. Therefore, a lysimeter study was conducted, in summer 2004, to assess the effect of LAS and NP on the movement of agricultural herbicides through a sandy loam soil. The degradation of the herbicides was studied in lysimeters over a ninety-day period. Irrigation water with a concentration of 12 mg L -1 of LAS and NP was used to assess their effect on the leaching of atrazine, metolachlor, and metribuzin. Moreover, a laboratory sorption experiment was undertaken to estimate the partition coefficients (kd) of the three herbicides with water containing the same concentrations of LAS and NP. Irrigation water containing low concentrations of surfactants (LAS and NP) did not increase leaching of the three herbicides. Therefore, these results would reduce the concerns regarding pesticide leaching through sandy soil brought on by LAS and NP in wastewaters for irrigation, which is becoming more important due to increasing water scarcity in the dry climate regions of the world. / Beside the lysimeter study, mathematical models can be used effectively and economically in a very short period of time for simulating herbicide concentrations into soil. PESTFADE, a one dimensional transient flow model, was used, in this study, to simulate the fate of the three herbicides in sandy soils. Another model, Artificial Neural Network (ANN), was also used over mathematical modeling due to its faster execution period and less input parameter requirements, for predicting the concentrations of the three herbicides in a sandy loam soil. The predicted concentrations, from both models were compared with the experimental results from the lysimeter study. Although slight overestimations and underestimations were observed, both models simulated herbicide concentrations in the soil profile satisfactorily.