Avaliação dos parâmetros de solubilidade de Hildebrand/Hansen na seleção de solventes para a extração de pesticidas organoclorados do solo

Villa, Ricardo Dalla; Oliveira, Adriana Paiva de; Nogueira, Raquel Fernandes Pupo

doi:10.1590/s0100-40422011000900004

Cited by 6 publications

(3 citation statements)

References 17 publications

(22 reference statements)

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…Hansen solubility parameters of 195 compounds were obtained from the literature ,− (Table S1, Supporting Information). From this data set, 133 compounds were used as a training set to develop the models, and the remaining 62 became the testing set.…”

Section: Resultsmentioning

confidence: 99%

Using COSMO-RS to Predict Hansen Solubility Parameters

Wojeicchowski

Ferreira

Okura

et al. 2022

Ind. Eng. Chem. Res.

View full text Add to dashboard Cite

Hansen solubility parameters (HSP) provide essential information on the nature of solvents, being a useful tool in their selection for product and process design. In this work, linear models were developed to estimate HSP based on the use of COSMO-RS (conductor-like screening model for realistic solvents) descriptors. Hansen solubility parameters for 195 compounds were obtained from the literature and classified into two categories: training set (133 compounds) and testing set (62 compounds). Then a factorial regression was carried out to predict dispersion, hydrogen-bonding interaction, and polar contribution of HSP (δD, δH, and δP, respectively) based on σ-moments and energy COSMO-RS descriptors. The description of the dispersion contribution was the least successful due to the low variability of the experimental data, despite the database containing compounds of a widely different chemical nature. The models obtained proved to be more than simple mathematical equations since a physical meaning is achieved when COSMO-RS descriptors are used. The models developed were then applied to the test database. An excellent performance was observed, with δH showing the highest R 2 (0.90), and the MAE obtained were 0.98, 1.74, and 1.44 MPa1/2 for δD, δH, and δP, respectively, which are lower than those found in previous works. Finally, HSP data for caffeine, nicotine, paracetamol, and d-camphor were estimated. The results were close to the literature data and those predictive by the HSPiP software. Moreover, it was shown that δP and δH drive the molecules’ polarity, impacting their log K ow (a quantitative measure of polarity). This work shows that COSMO-RS descriptors are a tool to predict HSP through linear models, opening new doors in the screening, design, and selection of solvents to be used in chemical processes.

show abstract

Section: Resultsmentioning

confidence: 99%

Using COSMO-RS to Predict Hansen Solubility Parameters

Wojeicchowski

Ferreira

Okura

et al. 2022

Ind. Eng. Chem. Res.

View full text Add to dashboard Cite

show abstract

“…This was attributed to its rampant use in sanitary campaigns to combat malaria. The continuous quantification of OCPs in the soil is essential for monitoring contamination sites and tracking the illegal use of these compounds (Villa, Oliveira, & Nogueira, 2011). The presence of pesticide residues and their metabolites in milk poses a risk to consumer health.…”

Section: Introductionmentioning

confidence: 99%

Levels of organochlorine contaminants in natural bovine milk marketed in Mojuí dos Campos and Belterra, Brazil

Rêgo,

Cardoso,

Sacramento

et al. 2023

Acta Sci. Anim. Sci.

View full text Add to dashboard Cite

Analyzing the organochlorine pesticide (OCP) content in milk is relevantbecause it helps evaluate the quality of milk that reaches the consumer's table and also helps identify the geographical areas where there is a high possibility of contamination. Accordingly,thispilot project was aimed at determining the extent of contamination by OCP residues and their metabolites in fresh cow's milk in Mojuí dos Campos and Belterra, Pará, using solid-phase extraction (SPE) and gas chromatography coupled with electron capture detection (GC-ECD). The OCPs evaluated in this study weredichlorodiphenyltrichloroethane (DDT) and its metabolites (dichlorodiphenyldichloroethylene (DDE) and dichlorodiphenyldichloroethane (DDD)), hexachlorocyclohexane (HCH) (α, β, γ, and δ), endosulfanα and β, andendosulfansulfate. None of the thirty bovine milk samples analyzedshowed any contamination with OCPs.TheOCP content was within the limit of quantification of the method. The results of this study add to the existing knowledge on the quality ofbovine milk produced in these locations. However, further researchon other environmental matricesis required to confirm the results obtained in this study.

show abstract

“…apresentam uma grande variedade química de princípios ativos utilizados em sua composição, sendo esses classificados como carbamatos, piretróides, organoclorados, organofosforados, dinitroanilinas, anilinas, entre outros. 1 Desses, os inseticidas se mostram como sendo o grupo mais representativo dos poluentes ambientais, pois possuem uso intensificado na agricultura devido ao número crescente de pragas. 2 Assim, a exposição humana aos inseticidas decorrem da ingestão, inalação ou absorção cutânea, sendo essas últimas vias de intoxicação mais comuns entre os trabalhadores responsáveis por sua aplicação no campo, manufatura ou formulação desses produtos na indústria química.…”

Section: Introductionunclassified

Desenvolvimento De Metodologias Analíticas Para Determinação De Clorpirifós Em Amostras Aquosas Empregando a Microextração Líquido-Líquido Dispersiva Seguida Por HPLC-Uv

Oliveira¹,

Honório²,

Matos³

et al. 2019

Quím. Nova

View full text Add to dashboard Cite

Recebido em 15/05/2019; aceito em 27/08/2019; publicado na web em 04/12/2019 DEVELOPMENT OF ANALYTICAL METHODOLOGIES FOR THE DETERMINATION OF CHLORPYRYPHES IN AQUEOUS SAMPLES EMPLOYING THE DISPERSIVE LIQUID MICROEXTRACTION FOLLOWED BY HPLC-UV. The miniaturized extraction techniques use less aggressive methods to the environment, since they generate less waste and spend a minimum of organic solvents, besides having a good selectivity and specificity in the extractions. In this context, liquid-liquid dispersive microextraction (DLLME) has been highlighting. Thus, the present article describes an optimization of the DLLME using low environmental impact extractor solvent to determine the chlorpyrifos insecticide in water. The analytical curves presented values for the correlation coefficient (r) higher than 0.999. The limits of detection and quantification were 0.24 and 0.80 μg L-1 , respectively. There were recoveries between 93 and 97 %, with relative standard deviation (RSD) varying between 1.00 and 3.61%. The developed methods presented accurate and reliable results, are simple and safe, characteristics important for the implementation of a methodology as a routine analysis, and were applied in the determination of chlorpyrifos in water samples from five points along the Rio Dourados, near the city of Fátima do Sul.

show abstract

Avaliação dos parâmetros de solubilidade de Hildebrand/Hansen na seleção de solventes para a extração de pesticidas organoclorados do solo

Cited by 6 publications

References 17 publications

Using COSMO-RS to Predict Hansen Solubility Parameters

Using COSMO-RS to Predict Hansen Solubility Parameters

Levels of organochlorine contaminants in natural bovine milk marketed in Mojuí dos Campos and Belterra, Brazil

Desenvolvimento De Metodologias Analíticas Para Determinação De Clorpirifós Em Amostras Aquosas Empregando a Microextração Líquido-Líquido Dispersiva Seguida Por HPLC-Uv

Contact Info

Product

Resources

About