Notes

Unlocking the electronic genome of halogenobenzenes
The drive to develop new organic materials for use in optoelectronic devices has created the need to understand the fundamental role functionalization plays concerning the electronic properties of conjugated molecules. Here density functional theory (DFT) is used to investigate how the HOMO-LUMO gaps of halogenobenzenes are affected as a function of substituent size, position, electronegativity, ionization potential, and polarizability. A detailed molecular orbital analysis is also provided. It is shown that the molecular static polarizability and ionization potential of the bound halogens are the primary physical descriptors governing the HOMO-LUMO gap within halogenobenzenes. Two secondary descriptors controlling the HOMO-LUMO gap in these materials are the aromaticity of the halogen substituted benzene rings (as monitored via the harmonic oscillator method of aromaticity index [HOMA]) and the reduced population of the halogen atomic orbitals in the frontier MOs (%XHOMO or %XLUMO). The molecular polarizability and aromaticity, as well as %XHOMO and %XLUMO, are shown to be a function of halogen electronegativity and size, as well as number and position on the ring.

It is ultimately demonstrated that halogenobenzenes which are most polarizable and are either least aromatic and/or exhibit the smallest %XLUMO (or largest %XHOMO) values, have the smallest The Photocatalytic Effects of Modified Hydrothermal Nanotitania Extraction on the Skin and Behavior of Sprague-Dawley Rats.Campus, Jalan Sultan Mahmud, 20400 Kuala Terengganu, Terengganu, Malaysia.Saveetha Institute of Medical and Technical Sciences, Chennai, India.BACKGROUND: Potential antibacterial substances, such as titanium dioxide (TiO2), are being extensively studied throughout the research world. A modified hydrothermal nanotitania extraction was shown to inhibit Staphylococcus aureus growth in the laboratory. However, 6-butyl-n-hydroxynaphthimide trifluoromethanesulfonic acid in Electrophilic Aromatic Substitution of the extract on rats is unknown. In this study, we observed the effects of a modified hydrothermal nanotitania extraction on the skin and behavior of Sprague-Dawley rats.

METHODS: Sprague-Dawley (Rattus norvegicus) rats were used as the experimental animals. The skin around the dorsum of the tested animals was shaved and pasted with 0 mg and 0 mg of the nanotitania extraction. The color and condition of the pasted area and the behavior of the animals were observed.RESULTS: 0 mg nanotitania extraction application on the dorsum of the rat produced no skin color changes at day 1, day 3, day 5, or day 7 postapplication. There were no changes in their behavior up to day 7 with no skin rashes or skin scratches seen or fur changes. However, 0 mg of nanotitania extraction resulted in redness and less fur regrowth at day 7.CONCLUSIONS: A 0 mg modified nanotitania extraction was observed to have no effect on the skin of Sprague-Dawley rats.

The relative importance of different carbon structures in biochars to carbamazepine and bisphenol A sorption.Faculty of Resources and Environment, Anhui Agricultural University, Hefei, Humboldt-University at Berlin, Arboretum, Späthstr. 80/81, 12437, Berlin, Biochar, a carbon-rich material, has attracted immense attention owing to its applications in soil remediation. However, the mechanisms by which heterogeneous carbon structures of biochars immobilize organic contaminants are not yet fully understood. In this study, the noncondensed aromatic components in biochars were selectively removed through bleaching. Different techniques, such as 13C nuclear magnetic resonance, were applied to characterize the biochar compositions, and thus the role of the different carbon structures in organic contaminant sorption was discussed. The aromatic carbon structures in biochars were gradually developed and evolved from noncondensed to condensed structure with increasing pyrolytic temperatures from 300 to 700 °C.

Based on elemental analysis, the carbon removed by bleaching decreased from 43% to 52% with increasing temperatures. After the surface area normalization of the apparent sorption, bleaching increased the sorption of carbamazepine and bisphenol A on biochars produced at 500 °C, but not for those produced at 300 and 700 °C. Bleaching removed noncondensed aromatics and enriched condensed aromatics, which resulted in increased sorption. However, bleaching also resulted in the blockage of micropores in biochars with abundant condensed aromatics, causing decreased sorption. The apparent sorption was determined by the balancing of these two Chemical Composition and Behavioral Effects of Five Plant Essential Oils on the Green Pea Aphid Acyrthosiphon pisum (Harris) (Homoptera: Aphididae).Narbonne Road PB 22687, 31326, Castanet Tolosan Cedex, France.Carthage, Jarzouna Bizerte, 7021, Carthage, Tunisia.

Carthage, IPEST, PB 51, La Marsa, 2070, Tunisia.Technopol, PB 901, 2050, Hammam-Lif, Tunisia.Reactivity, UMR CNRS 5623, Paul-Sabatier University, 118 Narbonne Road, F-31062, Essential oils (EOs) from Schinus molle, Helichrysum gymnocephalum, Cedrelopsis grevei and Melaleuca viridiflora, four aromatic and medicinal plants, are commonly used in folk medicine.
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