An environmental 1H NMR metabolomic study of the exposure of the marine mussel Mytilus edulis to atrazine, lindane, hypoxia and starvation

High-resolution 750 MHz 1H NMR spectra of control human blood plasma have been measured and assigned by the concerted use of a range of spin-echo, two-dimensional J-resolved, and homonuclear and heteronuclear (1H-13C) correlation methods. The increased spectral dispersion and sensitivity at 750 MHz enable the assignment of numerous 1H and 13C resonances from many molecular species that cannot be detected at lower frequencies. This work presents the most comprehensive assignment of the 1H NMR spectra of blood plasma yet achieved and includes the assignment of signals from 43 low M(r) metabolites, including many with complex or strongly coupled spin systems. New assignments are also provided from the 1H and 13C NMR signals from several important macromolecular species in whole blood plasma, i.e., very-low-density, low-density, and high-density lipoproteins, albumin, and alpha 1-acid glycoprotein. The temperature dependence of the one-dimensional and spin-echo 750 MHz 1H NMR spectra of plasma was investigated over the range 292-310 K. The 1H NMR signals from the fatty acyl side chains of the lipoproteins increased substantially with temperature (hence also molecular mobility), with a disproportionate increase from lipids in low-density lipoprotein. Two-dimensional 1H-13C heteronuclear multiple quantum coherence spectroscopy at 292 and 310 K allowed both the direct detection of cholesterol and choline species bound in high-density lipoprotein and the assignment of their signals and confirmed the assignment of most of the lipoprotein resonances.

A portion of all herbicides applied to forests, croplands, road sides, and gardens are inevitably lost to water bodies either directly through runoff or indirectly by leaching through groundwater into ephemeral streams and lakes. Once in the aquatic environment, herbicides may cause stress within aquatic communities and radically alter community structure. Atrazine is one of the most effective and inexpensive herbicides in the world and is consequently used more frequently than any other herbicide. Atrazine is frequently detected in aquatic waters, and has been known to affect reproduction of aquatic flora and fauna, which in turn impacts on the community structure as a whole. This paper presents a summary of the reported direct and indirect impacts of atrazine on aquatic organisms and community structure. The information can be used for developing improved management guidelines and legislation. It is concluded that a single universal maximum limit on the atrazine application in catchments, as suggested by many regulatory authorities, does not provide adequate protection of the aquatic environment. Rather, it is advocated that flexible limits on the application of atrazine be developed in line with the potential risk of contamination to surface and subsurface water and fragility of the aquatic environment.