A near atomic resolution structure of a Melanocarpus albomyces laccase.

We have solved a crystal structure from Melanocarpus albomyces laccase expressed in the filamentous fungus Trichoderma reesei (rMaL) at 1.3A resolution by using synchrotron radiation at 100K. At the moment, this is the highest resolution that has been attained for any multicopper oxidase.

Measuring H-bonding in supramolecular complexes by gas phase ion-molecule reactions.

H/D and guest-exchange ion-molecule reactions have been used as a new tool to elucidate the operation of multiple hydrogen bonding in gas-phase complexes formed between phosphonate cavitands and ethyl-substituted ammonium ions.

On prediction of optical properties of two- and multiphase nanocomposites for nanomedicine.

The theory of optical properties of nanoparticles is considered with the aid of dispersion relations, which are based on the Kramers-Kronig analysis. It is shown that one can utilize rather general dispersion relations, which hold for liquid matrices that contain nanoparticles. Wiener bounds incorporating the Kramers-Kronig analysis are utilized in assessment of the complex permittivity of a nanoparticle.

Icosahedral Au(72): a predicted chiral and spherically aromatic golden fullerene.

Quantum chemical calculations demonstrate the spherical aromaticity and high thermodynamic stability of Au(72), a predicted I-symmetric golden fullerene.

Differentiation of diastereomeric cyclic beta-amino acids by varying the neutral reagent in ion/molecule reactions studied by electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry.

Stereochemical differentiation of diasteromeric pairs of cis- and trans-2-aminocyclohexane-, -2-amino-4-cyclohexene-, and -2-aminocyclopentanecarboxylic acids was investigated with host-guest complexes where tetraethyl resorcarene was the host molecule. Diastereoselectivity was evaluated by ion/molecule reactions and collision-induced dissociation with electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI-FTICRMS). The effect of varying the neutral reagent (n-propylamine, i-propylamine, diethylamine, and triethylamine) in ion/molecule reactions was evaluated.

DFT tests for group 8 transition metal carbonyl complexes.

The applicability of several popular density functionals in predicting the geometrical parameters and energetics of transition metal carbonyl complexes of iron, ruthenium and osmium has been studied. The methods tested include pure GGA functionals (BLYP, BP86, OPBE, HCTH, PBE, VSXC) and hybrid GGA functionals (B3PW91, B3LYP, PBE1PBE, MPW1K, B97-2, B1B95, PBE1KCIS). The effect of changing the metal basis set from Huzinaga's all-electron basis to SDD scECP basis was also studied.

Characterization and crystallization of a recombinant IgE Fab fragment in complex with the bovine beta-lactoglobulin allergen.

A D1 Fab fragment containing the allergen-binding variable domains of the IgE antibody was characterized by ESI FT-ICR mass spectrometry and crystallized with bovine beta-lactoglobulin (BLG) using the hanging-drop vapour-diffusion method at 293 K. X-ray data suitable for structure determination were collected to 2.8 A resolution using synchrotron radiation.

Humic substances modify accumulation but not biotransformation of pyrene in salmon yolk-sac fry.

Humic substances may influence the bioavailability of polycyclic aromatic hydrocarbons (PAHs) in aquatic environment. Relatively little is known how humic substances affect the biotransformation of PAHs in aquatic animals. Here we report how two different types of humic substances affected the accumulation of pyrene, a four-ringed PAH, to yolk-sac fry of landlocked salmon (Salmo salar m.

Seasonal rhythms of body temperature in the free-ranging raccoon dog (Nyctereutes procyonoides) with special emphasis on winter sleep.

The raccoon dog (Nyctereutes procyonoides) is the only canid with passive overwintering in areas with cold winters, but the depth and rhythmicity of wintertime hypothermia in the wild raccoon dog are unknown. To study the seasonal rhythms of body temperature (T(b)), seven free-ranging animals were captured and implanted with intra-abdominal T(b) loggers and radio-tracked during years 2004-2006. The average size of the home ranges was 306+/-26 ha, and the average 24 h T(b) was 38.

Polarization self-modulation of the nonstationary speckle field in a photorefractive crystal.

We have observed the nonstationary polarization modulation of a speckle pattern transmitted through a photorefractive crystal under the alternating electric field of a square-wave form. A simple model based on Gaussian-beam propagation in the crystal with the diffusion type of nonlinearity is proposed to explain the main features of the experiment. Application of the phenomenon to noncontact and highly sensitive measurements of a rough surface movement is suggested.

Effects of temperature and oxygen concentration in sediment toxicity testing.

Joint effects of temperature and oxygen concentrations for the results of sediment toxicity tests were studied at 10 and 20 degrees C with 40% and 80% dissolved oxygen (DO) saturation. Growth, feeding rate, and reproduction of Lumbriculus variegatus (Oligochaete) and growth, emergence, and survival of Chironomus riparius (Diptera) were tested in a polluted and in a reference sediment. Both the feeding of L.

Indications of hepatic and cardiac toxicity caused by subchronic Tricholoma flavovirens consumption.

The yellow tricholoma (Tricholoma flavovirens or Tricholoma equestre) is a wild mushroom species that was previously considered edible and tasty. Recently, it caused several cases of delayed rhabdomyolysis in humans and elevated serum creatine kinase (CK) activities in laboratory mice (Mus musculus) in a dose-response study. The present study continued to examine the effects of prolonged T.

Evaluation of reproductive safety of beta-sitosterol on the American mink (Neovison vison).

beta-Sitosterol is a weakly estrogenic phytosterol used extensively in functional foods to lower elevated serum cholesterol concentrations due to its inhibitory action on intestinal cholesterol absorption. It caused previously decreased sex steroid concentrations in fish and lowered sperm counts in rats. In the American mink (Neovison vison), litter size increased slightly due to dietary beta-sitosterol supplement.

Sensitivity of managed boreal forests in Finland to climate change, with implications for adaptive management.

This study investigated the sensitivity of managed boreal forests to climate change, with consequent needs to adapt the management to climate change. Model simulations representing the Finnish territory between 60 and 70 degrees N showed that climate change may substantially change the dynamics of managed boreal forests in northern Europe. This is especially probable at the northern and southern edges of this forest zone.

Bioaccumulation and biotransformation of polycyclic aromatic hydrocarbons during sediment tests with oligochaetes (Lumbriculus variegatus).

In some kinetic studies with aquatic invertebrates, the bioaccumulation of polyaromatic hydrocarbons (PAHs) has been observed to peak at the beginning of the test. This has been explained by the depletion of PAHs from pore water due to limited desorption during the bioaccumulation test or, alternatively, by the activation of biotransformation mechanisms in the organisms. In the present study, we exposed the aquatic oligochaetes, Lumbriculus variegatus, to creosote oil-contaminated sediments to examine the bioaccumulation of PAHs and to clarify the importance of contaminant depletion and biotransformation for it.

Molecular interactions between a recombinant IgE antibody and the beta-lactoglobulin allergen.

Allergies are caused by the immune reaction to commonly harmless proteins, allergens. This reaction is typified by immunoglobulin E (IgE) antibodies. We report the crystal structure of an IgE Fab fragment in complex with beta-lactoglobulin (BLG), one of the major allergens of bovine milk.

Irreversible thermal denaturation of Trichoderma reesei endo-1,4-beta-xylanase II and its three disulfide mutants characterized by differential scanning calorimetry.

Kinetic as well as energetic aspects of the thermal denaturation of Trichoderma reesei endo-1,4-beta-xylanase II (TRX II) and its three thermostable disulfide mutants were characterized by means of differential scanning calorimetry (DSC) in different solution conditions. The calorimetric transitions were strongly scan-rate dependent, characteristic for an irreversible, kinetically controlled protein denaturation. The DSC-determined T*-values (the temperature at which the denaturation rate constant equals 1min(-1)), and the activation free energies for the transitions are consistent with the apparent transition temperatures of TRX II determined earlier by mass spectrometry.

Molecular dynamics studies on the thermostability of family 11 xylanases.

Twelve members of the family 11 xylanases, including both mesophilic and thermophilic proteins, were studied using molecular dynamics (MD). Simulations of xylanases were carried out in an explicit water environment at four different temperatures, 300, 400, 500 and 600 K. A difference in thermotolerance between mesophilic and thermophilic xylanases became clear: thermophilic xylanases endured heat in higher simulation temperatures better than mesophilic ones.

Reciprocal diversification in a complex plant-herbivore-parasitoid food web.

Background: Plants, plant-feeding insects, and insect parasitoids form some of the most complex and species-rich food webs. According to the classic escape-and-radiate (EAR) hypothesis, these hyperdiverse communities result from coevolutionary arms races consisting of successive cycles of enemy escape, radiation, and colonization by new enemy lineages. It has also been suggested that "enemy-free space" provided by novel host plants could promote host shifts by herbivores, and that parasitoids could similarly drive diversification of gall form in insects that induce galls on plants.

Oxidation of a laccase mediator ABTS as studied by ESI-FTICR mass spectrometry.

The oxidation reaction of a laccase mediator ABTS (2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) was studied by electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI-FTICRMS). Oxidation products of ABTS were measured after reaction times that varied from a few minutes up to several days and both positive and negative ionization modes were employed. Exact mass measurements and collision-induced dissociation (CID) experiments were used to characterize the structures of the ions formed.

Spatial span in very prematurely born adolescents.

The working memory functions and processing speed of 35 adolescents born preterm (< or = 32 weeks of gestation) and those of 31 control adolescents were assessed at the age of 16 years. All study participants were free from major disabilities. There were no statistically significant differences in verbal IQ between the study groups.

Fish cardiac sodium channels are tetrodotoxin sensitive.

Aim: Sodium current (I(Na)) of the mammalian heart is resistant to tetrodotoxin (TTX) due to low TTX affinity of the cardiac sodium channel (Na(v)) isoform Na(v)1.5. To test applicability of this finding to other vertebrates, TTX sensitivity of the fish cardiac I(Na) and its molecular identity were examined.

School performance of adolescents born preterm: neuropsychological and background correlates.

In this longitudinal study the development of preterm and control children was followed from infancy until adolescence. School performance at the age of 16 in subjects born very preterm with a gestational age (GA) of View Article and Find Full Text PDF

Food deprivation in the common vole (Microtus arvalis) and the tundra vole (Microtus oeconomus).

Arvicolinae voles are small herbivores relying on constant food availability with weak adaptations to tolerate prolonged food deprivation. The present study performed a comparative analysis on the responses to 4-18 h of food deprivation in the common vole (Microtus arvalis) and the tundra vole (Microtus oeconomus). Both species exhibited rapid decreases in the plasma and liver carbohydrate concentrations during phase I of fasting and the decline in the liver glycogen level was more pronounced in the tundra vole.

Icosahedral and ring-shaped allotropes of arsenic.

We predict the existence of two novel families of arsenic nanostructures: icosahedral cages and ring-shaped chains. Quantum chemical calculations on the cages, rings, and the experimentally known allotropes of arsenic suggest the nanostructures to be thermodynamically stable. The icosahedral cages are modifications of the gray allotrope of arsenic, while the ring-shaped chains are structurally related to the red allotrope of phosphorus.