Serial Elastic Elements in the Damselfly Wing: Mobile Vein Joints Contain Resilin

 Two main types of joints occur in the damselfly wing: mobile and immobile. Some longitudinal veins (RP2^–, RP3&4^–, and MP^–) are elastically joined with cross veins, whereas other longitudinal veins (IR1⁺, IR2⁺, MA⁺, CuA'⁺) are firmly joined with cross veins. In this study we mapped the distribution of serial elastic elements in the wing. The occurrence of resilin, a rubberlike protein, in mobile joints suggests that the automatic twisting mechanism of the leading edge by aerodynamic force works not by flexibility but by the elasticity of these joints. First, it should result in elastic energy storage in the distal areas of the wing. Second, serial elastic elements of wing presumably act as dampers of an aerodynamic force, which are responsible for gradual twisting of the leading edge. Received: 16 March 1999 / Accepted in revised form: 26 August 1999     

The effect of nitroaromatics' composition on their toxicity in vivo: novel, efficient non-additive 1D QSAR analysis

Novel 1D QSAR approach that allows analysis of non-additive effects of molecular fragments on toxicity has been proposed. Twenty-eight nitroaromatic compounds including some well-known explosives have been chosen for this study. The 50% lethal dose concentration for rats (LD50) was used as the estimation of toxicity in vivo to develop 1D QSAR models on the framework of Simplex representation of molecular structure. The results of 1D QSAR analysis show that even the information about the composition of molecules provides the main trends of toxicity changes. The necessity of consideration of substituents' mutual impacts for the development of adequate QSAR models of nitroaromatics' toxicity was demonstrated. Statistic characteristics for all the developed partial least squares QSAR models, except the additive ones are quite satisfactory (R2=0.81-0.92; Q2=0.64-0.83; R2 test=0.84-0.87). A successful performance of such models is due to their non-additivity i.e. possibility of taking into account the mutual influence of substituents in benzene ring which plays the governing role for toxicity change and could be mediated through the different C-H fragments of the ring. The correspondence between observed and predicted by these models toxicity values is good. This allowing combine advantages of such approaches and develop adequate consensus model that can be used as a toxicity virtual screening tool.     

One-electron standard reduction potentials of nitroaromatic and cyclic nitramine explosives

Extensive studies have been conducted in the past decades to predict the environmental abiotic and biotic redox fate of nitroaromatic and nitramine explosives. However, surprisingly little information is available on one-electron standard reduction potentials (E^o(R-NO₂/R-NO₂⁻)). The E^o(R-NO₂/R-NO₂⁻) is an essential thermodynamic parameter for predicting the rate and extent of reductive transformation for energetic residues. In this study, experimental (linear free energy relationships) and theoretical (ab initio calculation) approaches were employed to determine E^o(R-NO₂/R-NO₂⁻) for nitroaromatic, (caged) cyclic nitramine, and nitroimino explosives that are found in military installations or are emerging contaminants. The results indicate a close agreement between experimental and theoretical E^o(R-NO₂/R-NO₂⁻) and suggest a key trend: E^o(R-NO₂/R-NO₂⁻) value decreases from di- and tri-nitroaromatic (e.g., 2,4-dinitroanisole) to nitramine (e.g., RDX) to nitroimino compound (e.g., nitroguanidine). The observed trend in E^o(R-NO₂/R-NO₂⁻) agrees with reported rate trends for reductive degradation, suggesting a thermodynamic control on the reduction rate under anoxic/suboxic conditions.     

The ontogeny of elements: distinct ontogenetic patterns in the radular tooth mineralization of gastropods

The Science of Nature - Among the termite-associated fauna, rove beetles of the subfamily Aleocharinae are distinguished by exhibiting the majority of convergent evolutions to this lifestyle. This...     

Application of quantum-chemical approximations to environmental problems: Prediction of physical and chemical properties of TNT and related species

This paper presents accurate predictions of ecologically important properties of nitroaromatic compounds and their derivatives, including vapor pressure, Henry's law constants, water solubility, octanol/water partition coefficients, heats of formation and ionization potentials. The proposed technique of calculations was based on quantum-chemical methods. The relationship between the chemical structure and mentioned physico-chemical parameters of such widespread military produced contaminants as trinitrotoluene and its derivatives was considered. We revealed that the DFT level of theory combined with the COSMO-RS technique is able to predict the studied parameters with an accuracy that results in error bars of less then one logarithmic unit.     

Integument and defence in larva and prepupa of a sawfly living on a semi-aquatic plant

The larvae of the sawfly Rhadinoceraea micans live and feed on a semi-aquatic plant, Iris pseudacorus, and their integument is strongly hydrophobic. The hydrophobicity is part of a chemical defence strategy, easy bleeding, also known from congeners. The prepupae burrow into the soil where they form a cocoon in which they pupate, thus implying different micro-environmental conditions. The cuticle structure and wetting defensive effectiveness of R. micans were compared between larvae and prepupae. The two stages were similarly well defended against attacking ants by the bleeding of a deterrent hemolymph, whereas they were dissimilar in the cuticle surface that presented sculptures and wax crystals at the larval stage only. The integument of prepupae was less structured, and hydrophilic. Larvae of R. micans exhibit, among sawflies, an exceptional cuticle structuring and we assume that they occupy this particular niche of a semi-aquatic environment to avoid encounters with ground-dwelling predators whereas prepupae may benefit from the chemical defence acquired at larval stage.     

Evaluation of the dependence of aqueous solubility of nitro compounds on temperature and salinity: a COSMO-RS simulation

The solubility in pure and saline water at various temperatures was calculated for selected nitro compounds (nitrobenzene, 1,3,5-trinitrobenzene, 2-nitrotoluene, 3-nitrotoluene, 4-nitrotoluene, 2,4-dinitrotoluene, 2,6-dinitrotoluene, 2,3-dinitrotoluene, 3,4-dinitrotoluene, 2,4,6-trinitrotoluene) using the Conductor-like Screening model for Real Solvents (COSMO-RS). The results obtained were compared with experimental values. The COSMO-RS predictions have shown high accuracy in reproducing the trends of aqueous solubilities for both temperature and salinity. The proposed methodology was then applied to predict the aqueous solubilities of 19 nitro compounds in the temperature range of 5-50 °C in saline solutions. The salting-out parameters of the Setschenow equation were also calculated. The predicted salting-out parameters were overestimated when compared to the measured values, but these parameters can still be used for qualitative estimation of the trends.