Microhydration of sorbitan monostearate (Span 60) investigated using hybrid QM/MM calculations in the gas phase

Shinsuphan, Nikorn; Krongsuk, Sriprajak; Namuangruk, Supawadee

doi:10.1016/j.susc.2021.121977

Cited by 1 publication

(1 citation statement)

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“…1-Ethyl-2-pyrrolodine is an aprotic solvent, which is used worldwide due to its water solubility and solvent power, and it is used for different applications, including pesticides, the pharmaceutical industry, and cosmetic products . Span-60 is a nonionic surfactant used as an emulsifier and a stabilizer agent in medicine, cosmetic, food, pesticide, coating, plastic, and textiles industries . 2,6-Dimethylaniline is used as a chemical intermediate in the manufacture of pesticides .…”

Section: Resultsmentioning

confidence: 99%

Unveiling Coformulants in Plant Protection Products by LC-HRMS Using a Polyhydroxy Methacrylate Stationary Phase

Martín-García,

Romero-González,

Vidal

et al. 2023

J. Agric. Food Chem.

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A polyhydroxy methacrylate-based stationary reversed phase was used for the determination of coformulants in 20 plant protection products (PPPs). These samples were analyzed by liquid chromatography coupled to Q-Orbitrap high-resolution mass spectrometry (LC-Q-Orbitrap-HRMS) in full-scan MS and data-dependent acquisition (ddMS2) modes. A total of 92 coformulants were tentatively identified in these formulations by nontargeted and unknown analyses. Twelve out of them were quantified by analytical standards. The most concentrated coformulant was the anionic surfactant dodecylbenzenesulfonic acid, whose highest content was obtained in the Score 25 sample (6.87%, w/v). Furthermore, triethylene glycol monomethyl ether, 4-s-butyl-2,6-di-tert-butylphenol, 1-ethyl-2-pyrrolidone, sorbitan monostearate, 2,6-dimethylaniline, palmitamide, and N-lauryldiethanolamine were quantified for the first time in these products. Hence, the polyhydroxy methacrylate-based stationary phase increased the identification of new coformulants in PPPs, being complementary to conventional C18. This strategy could be applied in future studies to estimate potential coformulant residues from PPPs applied to crops.

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Section: Resultsmentioning

confidence: 99%