Are Models Too Simple? Arguments for Increased Parameterization

The idea that models should be as simple as possible is often accepted without question. However, too much simplification and parsimony may degrade a model's utility. Models are often constructed to make predictions; yet, they are commonly parameterized with a focus on calibration, regardless of whether (1) the calibration data can constrain simulated predictions or (2) the number and type of calibration parameters are commensurate with the hydraulic property details on which key predictions may depend. Parameterization estimated through the calibration process is commonly limited by the necessity that the number of calibration parameters be smaller than the number of observations. This limitation largely stems from historical restrictions in calibration and computing capability; we argue here that better methods and computing capabilities are now available and should become more widely used. To make this case, two approaches to model calibration are contrasted: (1) a traditional approach based on a small number of homogeneous parameter zones defined by the modeler a priori and (2) regularized inversion, which includes many more parameters than the traditional approach. We discuss some advantages of regularized inversion, focusing on the increased insight that can be gained from calibration data. We present these issues using reasoning that we believe has a common sense appeal to modelers; knowledge of mathematics is not required to follow our arguments. We present equations in an Appendix, however, to illustrate the fundamental differences between traditional model calibration and a regularized inversion approach.     

Contrasting time trends of organic contaminants in Antarctic pelagic and benthic food webs

We demonstrate that pelagic Antarctic seabirds show significant decreases in concentrations of some persistent organic pollutants. Trends in Adélie penguins and Southern fulmars fit in a general pattern revealed by a broad literature review. Downward trends are also visible in pelagic fish, contrasting sharply with steady or increasing concentrations in Antarctic benthic organisms. Transfer of contaminants between Antarctic pelagic and benthic food webs is associated with seasonal sea-ice dynamics which may influence the balance between the final receptors of contaminants under different climatic conditions. This complicates the predictability of future trends of emerging compounds in the Antarctic ecosystem, such as of the brominated compounds that we detected in Antarctic petrels. The discrepancy in trends between pelagic and benthic organisms shows that Antarctic biota are still final receptors of globally released organic contaminants and it remains questionable whether the total environmental burden of contaminants in the Antarctic ecosystem is declining.     

The emergence of life from iron monosulphide bubbles at a submarine hydrothermal redox and pH front

Here we argue that life emerged on Earth from a redox and pH front at c. 4.2 Ga. This front occurred where hot (c. 150 degrees C), extremely reduced, alkaline, bisulphide-bearing, submarine seepage waters interfaced with the acid, warm (c. 90 degrees C), iron-hearing Hadean ocean. The low pH of the ocean was imparted by the ten bars of CO2 considered to dominate the Hadean atmosphere/hydrosphere. Disequilibrium between the two solutions was maintained by the spontaneous precipitation of a colloidal FeS membrane. Iron monosulphide bubbles comprising this membrane were inflated by the hydrothermal solution upon sulphide mounds at the seepage sites. Our hypothesis is that the FeS membrane, laced with nickel, acted as a semipermeable catalytic boundary between the two fluids, encouraging synthesis of organic anions by hydrogenation and carboxylation of hydrothermal organic primers. The ocean provided carbonate, phosphate, iron, nickel and protons; the hydrothermal solution was the source of ammonia, acetate, HS-, H2 and tungsten, as well as minor concentrations of organic sulphides and perhaps cyanide and acetaldehyde. The mean redox potential (delta Eh) across the membrane, with the energy to drive synthesis, would have approximated to 300 millivolts. The generation of organic anions would have led to an increase in osmotic pressure within the FeS bubbles. Thus osmotic pressure could take over from hydraulic pressure as the driving force for distension, budding and reproduction of the bubbles. Condensation of the organic molecules to polymers, particularly organic sulphides, was driven by pyrophosphate hydrolysis. Regeneration of pyrophosphate from the monophosphate in the membrane was facilitated by protons contributed from the Hadean ocean. This was the first use by a metabolizing system of protonmotive force (driven by natural delta pH) which also would have amounted to c. 300 millivolts. Protonmotive force is the universal energy transduction mechanism of life. Taken together with the redox potential across the membrane, the total electrochemical and chemical energy available for protometabolism amounted to a continuous supply at more than half a volt. The role of the iron sulphide membrane in keeping the two solutions separated was appropriated by the newly synthesized organic sulphide polymers. This organic take-over of the membrane material led to the miniaturization of the metabolizing system. Information systems to govern replication could have developed penecontemporaneously in this same milieu. But iron, sulphur and phosphate, inorganic components of earliest life, continued to be involved in metabolism.     

Evaluation of non-specific immune functions in dab,Limanda limanda L., following short-term exposure to sediments contaminated with polyaromatic hydrocarbons and/or polychlorinated biphenyls

Experimental exposure tanks were set up containing 'clean' marine sediment spiked with set doses of polyaromatic hydrocarbons (PAH), or polychlorinated biphenyls (PCB), or both. Reference tanks contained only 'clean' sediment. Female dab Limanda limanda L., exposed to these sediments for 7 days showed no differences in serum total protein concentration, serum lysozyme activity or body growth. Their kidney leucocytes were assayed for extracellular production of reactive oxygen species of the phagocytic respiratory burst. No significant differences in superoxide anion (O2-) production were found between fish exposed to the 'spiked' sediments and those on the 'clean' reference sediment. The production of hydrogen peroxide (H2O2) was, however, reduced in the fish held on the PAH and PAH/PCB spiked sediments. H2O2 levels for fish exposed to PCBs alone, did not differ significantly from those of control fish. Our results suggest that the decrease in H2O2 production was due to exposure to PAHs, rather than to PCBs.     

Effect of cadmium, copper and mercury on antioxidant enzyme activities and lipid peroxidation in the gills of the hydrothermal vent mussel Bathymodiolus azoricus

Metals are known to influence lipid peroxidation and oxidative status of marine organisms. Hydrothermal vent mussels Bathymodiolus azoricus live in deep-sea environments with anomalous conditions, including high metal concentrations. Although B. azoricus are aerobic organisms they possess abundant methano and thioautotrophic symbiotic bacteria in the gills. The enzymatic defences (superoxide dismutase (SOD), catalase (CAT), total glutathione peroxidase (Total GPx) and selenium-dependent glutathione peroxidase (Se-GPx)) and lipid peroxidation were determined in the gills of B. azoricus exposed to Cd (0.9 microM), Cu (0.4 microM) and Hg (0.1 microM) with different times of exposure. The experiments were performed in pressurized containers at 9+/-1 degrees C and 85 bars. Results show that vent mussels possess antioxidant enzymatic protection in the gills. Cd and Cu had an inhibitory effect in the enzymatic defence system, contrarily to Hg. These enzymatic systems are not completely understood in the B. azoricus, since reactive oxygen species might be produced through other processes than natural redox cycling, due to hydrogen sulphide and oxygen content present. Also the symbiotic bacteria may play an important contribution in the antioxidant protection of the gills.     

Routes of TBT uptake in the clam Ruditapes decussatus. I. Water and sediments as vectors of TBT uptake

This study assesses the relative importance of water and sediments as vectors of TBT uptake in the sediment-dwelling suspension feeder, Ruditapes decussatus. Accumulation of TBT was determined in R. decussatus exposed for 60 days to moderately high but environmentally realistic levels of TBT in water (100 ng Snl(-1)) and sediments (0.8 microg Sn g(-1) dw), separately or in combination, using constant-flow systems. The results indicate that this species accumulates TBT predominantly from water. Although some accumulation from sediments does occur, the processing of large amounts of water needed to sustain the filter-feeding habits of this species is a prime determinant of TBT uptake. The route of exposures reflected in tissue distributions of TBT in R. decussatus. However, gills are the most important site for accumulation of TBT from water, irrespective of whether contaminated sediments are present or not.     

Routes of TBT uptake in the clam Ruditapes decussatus. II. Food as vector of TBT uptake

Marine bivalves are exposed to contaminants via the aqueous phase, sediments and food. Nevertheless, the relative importance of these phases as uptake vectors of contaminants in these marine organisms has not been well studied. Phytoplankton concentrate contaminants from seawater and given their position at the base of most marine food webs, these algal cells may play critical roles in the transfer of contaminants to higher trophic levels. This study assesses the relative importance of microalgae as a vector of tributylin (TBT) uptake in the infaunal, suspension-feeding bivalve Ruditapes decussatus. Accumulation of TBT via the algal diet was determined by experimental exposure of R. decussatus to 14C-TBT labelled phytoplankton Isochrisis galbana, for a period up to 60 days. The digestive tract of these clams initially accumulates TBT preferentially from food. After a few weeks of exposure, internal remobilization results in a more widespread partitioning of TBT amongst tissues.