Adsorption of NO, NO and HO in divalent cation faujasite type zeolites: a density functional theory screening approach.

Emissions of diesel exhaust gas in confined work environments are a major health and safety concern, because of exposition to nitrogen oxides (NO). Removal of these pollutants from exhaust gas calls for engineering of an optimum sorbent for the selective trapping of NO and NO in the presence of water. To this end, periodic density functional theory calculations along with a recent dispersion correction scheme, namely the Tkatchenko-Scheffler scheme coupled with iterative Hirshfeld partitioning TS/HI, were performed to investigate the interactions between NO, NO, HO and a series of divalent cation (Be, Mg, Ca, Sr, Ba, Fe, Cu, Zn, Pd, and Pt) faujasites.

Nucleic Acids under Stress: Understanding and Simulating Nucleobase Fragmentation Pathways.

The effects of radiations on nucleic acids and their constituents is widely studied across several research fields using different experimental and theoretical protocols. While a large number of studies were performed in this context, many fundamental physical and chemical effects are still being investigated, particularly involving the effect of the biological environment. As an example, the interpretation of experimental nucleic acid bases mass spectra, and hence inferring their reactivity in complex environment still poses great challenge.

investigations of some compounds as potential anti-inflammatory inhibitors of 5-LO and LTA4H enzymes.

The present study aimed to experimentally identify the essential oil of Algerian L. and to model the interaction of some known anti-inflammatory molecules with two key enzymes involved in inflammation, 5-Lypoxygenase (5-LO) and leukotriene A4 hydrolase (LTA4H). Gas chromatography/gas chromatography-mass spectrometry (GC/GC-MS) revealed that 92.

EROD activity in peripheral blood lymphocytes and 1-hydroxypyrene in urine and milk as biomarkers of PAH exposure in dairy ruminants.

Presently, few biomarker-based approaches are available for the evaluation of environmental exposure to persistent organic pollutants in dairy ruminants. In this study, goats (Capra hircus) were orally administered a mixture of pyrene, phenanthrene, and benzo[a]pyrene daily over a 40-d period (1 or 50 mg/d). Milk and urine 1-hydroxypyrene levels, ethoxyresorufin-O-deethylase (EROD) activity in peripheral blood lymphocytes (PBL) as well as urinary levels of 2- and 3-hydroxyphenanthrene were determined at 10-d intervals.

Transfer kinetics to egg yolk and modeling residue recovered in yolk of readily metabolized molecules: polycyclic aromatic hydrocarbons orally administered to laying hens.

The kinetic of transfer into egg yolk of Persistent Organic Pollutants with contrasting properties regarding biotransformation and bioaccumulation was investigated. Twenty-four Hy line hens, aged 26weeks, were orally administered, during 1 or 3 consecutive days, 6mg of a mixture of three PAHs (phenanthrene, pyrene, benzo[a]pyrene) in equal amounts (w:w) or 3mg of lindane per kg body weight daily. Each day, contaminants were administered 1h after oviposition in one gelatin capsule.

Relative bioavailability of soil-bound polycyclic aromatic hydrocarbons in goats.

This study aimed at determining the relative bioavailability (RB) of three soil-bound PAH model compounds (phenanthrene [PHE], pyrene [PYR] and benzo[a]pyrene [BaP]) in four lactating goats. RB was estimated by comparing the urinary or milk excretion of the major mono-hydroxylated metabolites of PAHs after ingestion of PAH spiked-soil and -oil feeds. A series of three increasing doses were orally administered in order to estimate the dose response of the two different matrices.

Bioavailability of polycyclic aromatic hydrocarbons (PAHs) from soil and hay matrices in lactating goats.

This experiment was aimed at determining the bioavailability of three polycyclic aromatic hydrocarbons (PAHs) in goats: phenanthrene, pyrene, and benzo[a]pyrene. A Latin square design procedure was carried out involving three alpine lactating goats and three PAH-contaminated matrices (soil, hay, and oil as a control). Milk and urine samples were collected to assess PAH and hydroxy-PAH excretion kinetics and to compare the carry-over rates for the different matrices.

1-Hydroxypyrene in milk and urine as a bioindicator of polycyclic aromatic hydrocarbon exposure of ruminants.

Urinary 1-hydroxypyrene (1-OH-pyrene) is now largely considered to be a valuable biomarker of exposure of man and animals to pyrene and other polycyclic aromatic hydrocarbons (PAHs). However, from a practical and agronomic standpoint, the question remains whether such biomarking capability still holds when 1-OH-pyrene is analyzed in milk produced by ruminants. To assess this hypothesis, four goats were daily submitted to three different amounts of pyrene oral ingestion, together with phenanthrene and benzo(a)pyrene (1, 7, and 49 mg/day during 1 week each).