Environmental Chemicals Desk Reference

Montgomery, John H.; Crompton, T. R.

doi:10.1201/9781315169026

Cited by 5 publications

(1 citation statement)

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“…Hexachlorocyclohexane (HCH), a compound that was previously used as a component of some types of pesticides, is the most abundant organochlorine compound remaining in the atmosphere and is also found in water. [4][5][6][7][8] Although the use of HCH was prohibited for a long time ago, it still can be found in the environment due to its high chemical stability. It should be noted that HCH derivatives are still used in several countries when their use is more beneficial than the demerit resulting from by the contamination of the environment.…”

Section: Introductionmentioning

confidence: 99%

Determination of Hexachlorocyclohexane by Gas Chromatography Combined with Femtosecond Laser Ionization Mass Spectrometry

Yang

Imasaka

2016

J. Am. Soc. Mass Spectrom.

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Structural isomers and enantiomers of hexachlorocyclohexane (HCH) were separated using a chiral column by gas chromatography and quantitatively determined by multiphoton ionization mass spectrometry using an ultraviolet femtosecond laser (200 and 267 nm) as the ionization source. The order of elution of the enantiomers (i.e., (+)-α-HCH and (-)-α-HCH) was predicted from stabilization energies calculated for the complexes using permethylated γ-cyclodextrin as the stationary phase of the column, and the results were compared with the experimental data. The molecular ions observed for HCH were weak, even though they can be ionized through a process of resonance enhanced two-photon ionization at 200 nm. This unfavorable result can be attributed to the dissociation of the molecular ion, as predicted from quantum chemical calculations. Graphical Abstract ᅟ.

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Section: Introductionmentioning

confidence: 99%

Determination of Hexachlorocyclohexane by Gas Chromatography Combined with Femtosecond Laser Ionization Mass Spectrometry

Yang

Imasaka

2016

J. Am. Soc. Mass Spectrom.

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The effect of aryl hydrocarbon receptor ligands on gentamicin-induced nephrotoxicity in rats

Mokhtar

Khidr

Shaban

et al. 2020

Environ Sci Pollut Res

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Martini 3 Coarse-Grained Model for Type III Deep Eutectic Solvents: Thermodynamic, Structural, and Extraction Properties

Vainikka

Thallmair

Souza

et al. 2021

ACS Sustainable Chem. Eng.

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Deep eutectic solvents (DESs) are a more environmentally friendly, cost-effective, and recyclable alternative for ionic liquids. Since the number of possible deep eutectic solvents is very large, there are needs for effective methods to predict the physicochemical nature of possible new deep eutectic solvents that are not met by the currently available models. Here, we have built coarse-grained models for a few well-known and actively studied deep eutectic solvents using the recently published Martini 3 force field. Molecular dynamics simulations demonstrate that our models predict the properties of these particular DESs with an acceptable accuracy, and they are capable of capturing known liquid−liquid extraction processes as well as morphological shape changes of surfactant aggregates. Our coarse-grained approach is novel in the study of DESs, opening new possibilities for rapid screening of new DESs and their properties.

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Environmental Chemicals Desk Reference

Cited by 5 publications

References 0 publications

Determination of Hexachlorocyclohexane by Gas Chromatography Combined with Femtosecond Laser Ionization Mass Spectrometry

Determination of Hexachlorocyclohexane by Gas Chromatography Combined with Femtosecond Laser Ionization Mass Spectrometry

The effect of aryl hydrocarbon receptor ligands on gentamicin-induced nephrotoxicity in rats

Martini 3 Coarse-Grained Model for Type III Deep Eutectic Solvents: Thermodynamic, Structural, and Extraction Properties

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