Salting-out phenomenon and 1-octanol/water partition coefficient of metalaxyl pesticide

Continuous-flow microfluidic method for octanol-water partition coefficient measurement

“…In addition, Sandermann et al [1] has developed a relationship between K OW and partition coefficient K TG/PC (TG: trioleylglycerol; PC; phosphatidylcholine) for more than 20 xenobiotics in order to predict their affinity to biotic layers. Because of the prime importance of K OW in structureproperty relationships of organic molecules, several methods for its experimental determination are proposed in literature including reversed-phase high-performance liquid chromatography (RP-HPLC) [4,[11][12][13], titration techniques [14], microemulsion electrokinetic chromatography [15], solid-phase microextraction method [16], flow injection analysis [17] and finally, shake flask methods [2,18]. In addition, K OW can be estimated using fragmental method and group contribution method [19].…”

“…A traditional approach for the evaluation of lipophilicity is the determination of the partition of these species between two immiscible liquid phases, octanol and water [3][4][5]. The fate of pollutants and their partition in different compartments air-water-soil-biotic lipids obeys to a complex balance depending on various parameters among which: (i) their lipophilicity expressed by the partition coefficient of the solute between two immiscible liquid phases such as octanol and water K OW , (ii) their aqueous solubility S, (iii) their adsorption coefficient or partition coefficient between soil and water K oc , (iv) their Setschenow constant K salt,solute s and finally, (v) the Henry's constant K H which affects the transfer of compounds between water and air [2,[6][7][8].…”

“…Determination of partition coefficient of organic species is a widespread approach in order to predict their transport and accumulation in biological [1] and environmental [2] media. Such parameter allows determining their lipophilicity, i.e.i.e.…”

Chiral recognition of metalaxyl enantiomers by human serum albumin: evidence from molecular modeling and photophysical approach

“…17 After the administration of the amlodipine enantiomers and racemic amlodipine to healthy male volunteers, relative pharmacokinetic parameters were announced for the amlodipine enantiomers, but slightly upper plasma concentrations were perceived for the (S)-enantiomer. 25 Paolini et al 26 also suggested that a cocarcinogenic potential of metalaxyl could be sufficient to arouse critical DNA damage either directly, by way of oxygen radical overgeneration, or indirectly, via increased activation of ubiquitous precarcinogens. 19 As such, stereoselective phenomena may affect the pharmacodynamic and toxicological action of ligand enantiomers; hence, protein binding studies are a vital part in the biodistribution of chiral ligands, and the appraisal of protein-ligand association is even more intriguing.…”

“…21,24 Furthermore, this compound can induce skin irritation, accumulate in the liver, muscles, or fat, and cause tumors of thyroid glands suprarenal and liver. 25 Paolini et al 26 also suggested that a cocarcinogenic potential of metalaxyl could be sufficient to arouse critical DNA damage either directly, by way of oxygen radical overgeneration, or indirectly, via increased activation of ubiquitous precarcinogens.…”