Theoretical Study of the Inclusion Processes of the Phenylurea Herbicide Metobromuron in β-cyclodextrin

Leila, Nouar; Sakina, Haiahem; Bouhadiba, Abdelaziz; Fatiha, Madi; Djebloune, Largate Leila

doi:10.3923/jbs.2011.1.9

Cited by 6 publications

(3 citation statements)

References 14 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For information on the herbicidal properties of the title compound, see: Leila et al (2011). For related crystal structures, see: Black et al (2010); Kostyanovsky et al (2010 Table 1 Hydrogen-bond geometry (Å , ).…”

Section: Related Literaturementioning

confidence: 99%

See 1 more Smart Citation

Crystal structure of metobromuron

et al. 2015

View full text Add to dashboard Cite

The title compound [systematic name: 3-(4-bromophenyl)-1-methoxy-1-methylurea], C9H11BrN2O2, is a phenylurea herbicide. The dihedral angle between the plane of the urea group and that of the bromophenyl ring is 39.13 (10)°. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds and weak C—H⋯π interactions link adjacent molecules, forming chains along the a-axis direction. In addition, short intermolecular Br⋯Br contacts [3.648 (4) Å] are present, resulting in a two-dimensional network extending parallel to (101).

show abstract

Section: Related Literaturementioning

confidence: 99%

“…Metobromuron: 3-(4-bromophenyl)-1-methoxy-1-methylurea, is a phenylurea herbicide and has been used for the control of broadleaf weeds in cereal and vegetable crops, acting through the inhibition of photosynthesis (Leila et al, 2011).…”

Section: S1 Commentmentioning

confidence: 99%

Crystal structure of metobromuron

et al. 2015

View full text Add to dashboard Cite

show abstract

“…In liquid phase measurements, calixarenes are tuned for inclusion of ionic species and cyclodextrines for catalyzing hydrophobic reactants (16). The supramolecular cavities in these sensitive coatings offer considerable interactions towards different analytes (17) but a more detailed understanding of incorporation behavior can be visualized as three dimensional structures of the host-guest complexes by chemical modeling based on force field calculations (18)(19)(20). These modeling packages also allow us to predict the interaction energies for the inclusion of analytes.…”

Section: Introductionmentioning

confidence: 99%

From Molecular Hollows to Imprinting Strategies – Mass-Sensitive Devices in Host-Guest Chemistry

Latif¹,

Dickert²

2012

Insciences J.

View full text Add to dashboard Cite

Abstract:Chemically sensitive coatings via supra-molecular chemistry are preferably combined with mass-sensitive devices. Thus, the quartz-crystal-balance (QCM) and the surface acoustic wave (SAW) oscillator allow monitoring inclusion phenomena from nanogram down to the sub-femto-gram range. A deeper insight into the inclusion process of analytes by e.g. cyclodextrines, calixarenes and paracyclophanes is obtained by modelling procedures, which offer to predict the sensitivity and selectivity of sensor coatings. The robustness of the materials is further enhanced by cross-linking which leads to functionalized polymers. This strategy is further developed by templating, in most cases identical to analytes, the polymer materials enable us to perform both gas-and liquid-phase measurements due to their inertness. The flexibility of imprinting technique allows us to produce more selective and optimized recognition sites for the detection of aromatic, halogenated, polycyclic hydrocarbons and even complex mixtures e.g. oil degradation, composting are also accessible to monitor at isomeric level.

show abstract