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Articles 1 - 9 of 9
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A Kinetic Analysis Of The Conformational Flexibility Of Steroid Hormones, Steven P. Bradbury, Julian Ivanov, Ovanes Mekenyan, Gerritt Schüürmann
A Kinetic Analysis Of The Conformational Flexibility Of Steroid Hormones, Steven P. Bradbury, Julian Ivanov, Ovanes Mekenyan, Gerritt Schüürmann
Steven P. Bradbury
For a set of 10 androgen steroids and estradiol (E2), the kinetic feasibility of conformation flexibility of the cyclic moieties was studied under the constraint of maintaining the B/C trans and C/D trans ring fusion of the natural and biologically active enantiomer. To this end, the conformational energy surface was quantified using the semiempirical quantum chemical AM1 model. The computational analysis included the location of Conformational transition states with associated barriers, and intrinsic reaction coordinate (IRC) calculations to characterize the trajectories of the rotations and the relationships of the transition states to neighbouring chair and twist conformations. Conformational transformations were …
Association Of Exercise Identity With Measures Of Exercise Commitment, Dean F. Anderson, Charles M. Cychosz, Warren D. Franke
Association Of Exercise Identity With Measures Of Exercise Commitment, Dean F. Anderson, Charles M. Cychosz, Warren D. Franke
Warren D Franke
Role-identities are integral parts of the concept of self. Sociological traditions suggest that they serve to give meaning and importance to past behavior as well as providing direction for future behavior. This investigation examined the relationship of Exercise Identity with: age of subject, three measures of exercise commitment, and three physiological indicators of fitness. Data were collected from 448 of the 531 (84%) law enforcement personnel of a state department of public safety during annual physical exams at the university fitness clinic. Ninety-eight percent of the subjects self-identified as Caucasian and 96% were male (mean age = 39, range 21-63). …
Neurological Effects On Startle Response And Escape From Predation By Medaka Exposed To Organic Chemicals, Steven P. Bradbury, Richard W. Carlson, Robert A. Drummond, Dean E. Hammermeister
Neurological Effects On Startle Response And Escape From Predation By Medaka Exposed To Organic Chemicals, Steven P. Bradbury, Richard W. Carlson, Robert A. Drummond, Dean E. Hammermeister
Steven P. Bradbury
Simultaneous electrophysiological and behavioral studies were performed on 21–32 day old juvenile medaka (Oryzias latipes) exposed at sublethal concentrations to organic chemicals representing various modes of action. Non-invasive recordings were made of the electrical impulses generated within giant neuronal Mauthner cells, associated interneurons and motoneurons, and axial musculature, all of which initiate the startle or ‘escape’ response in fish. Timing in ms between these electrical sequelae was measured for each fish before and after 24 and 48 h exposure to a chemical. Carbaryl and phenol affected Mauthner cell to motoneuron transmission while chlorpyrifos, carbaryl, phenol and 2,4-dinitrophenol (DNP) showed neuromuscular …
A Comparative Study Of Molecular Similarity, Statistical, And Neural Methods For Predicting Toxic Modes Of Action, Steven P. Bradbury, Subhash C. Basak, Gregory D. Grunwald, George E. Host, Gerald J. Niemi
A Comparative Study Of Molecular Similarity, Statistical, And Neural Methods For Predicting Toxic Modes Of Action, Steven P. Bradbury, Subhash C. Basak, Gregory D. Grunwald, George E. Host, Gerald J. Niemi
Steven P. Bradbury
Quantitative structure–activity relationship (QSAR) models are routinely used in predicting toxicologic and ecotoxicologic effects of untested chemicals. One critical factor in QSAR-based risk assessment is the proper assignment of a chemical to a mode of action and associated QSAR. In this paper, we used molecular similarity, neural networks, and discriminant analysis methods to predict acute toxic modes of action for a set of 283 chemicals. The majority of these molecules had been previously determined through toxicodynamic studies in fish to be narcotics (two classes), electrophiles/proelectrophiles, uncouplers of oxidative phosphorylation, acetylcholinesterase inhibitors, and neurotoxicants. Nonempirical parameters, such as topological indices and …
A Comparison Of Iron Absorption In Adults And Infants Consuming Identical Infant Formulas, Richard F. Hurrell, Lena Davidsson, Manju B. Reddy, Peter Kastenmayer, James D. Cook
A Comparison Of Iron Absorption In Adults And Infants Consuming Identical Infant Formulas, Richard F. Hurrell, Lena Davidsson, Manju B. Reddy, Peter Kastenmayer, James D. Cook
Manju B. Reddy
Fe absorption was estimated in adults and infants from the erythrocyte incorporation of Fe isotopes added to infant formula. Fe absorption was measured in adults using radioisotopes, and in infants with a stable-isotope technique. In adults, the geometric mean Fe absorption from a ready-to-feed soya formula with its native phytic acid content was 2.4%. This increased to 6.0 % (P < 0.05) after almost complete dephytinization. In infants, mean Fe absorption values were 3.9 and 8.7% respectively from the same products (P(O.05). In adults, mean Fe absorption from a spray-dried soya formula containing 110 mg ascorbic acid was 4.1 %, increasing to 5.3 % (P < 0.05) when ascorbic acid was doubled to 220 mgfl. In infants, mean Fe absorption values were 5.7 and 9.5 % (P < 0.05) from the same products. Mean Fe absorption from a milk-based formula was 6.5 % in adults compared with 6.7 % in infants. All meals in the adult and infant studies were fed using an identical meal size of 217 g. Increasing the meal size threefold in adults did not change fractional Fe absorption. Mean Fe absorption values for each meal were lower in adults than in infants, but the relative inhibitory effect of phytic acid and the enhancing effect of ascorbic acid were similar. We conclude that Fe absorption studies in adults can be used to assess the influence of enhancers and inhibitors of Fe absorption in infant formulas fed to infants. Further studies, however, are required to extend these findings to weaning foods and complete meals.
Leaf Fluctuating Assymetry Increases With Hybridization And Elevation In Tree-Line Birches, Brian J. Wilsey, Erkki Haukioja, Julia Koricheva, Matti Sulkinoja
Leaf Fluctuating Assymetry Increases With Hybridization And Elevation In Tree-Line Birches, Brian J. Wilsey, Erkki Haukioja, Julia Koricheva, Matti Sulkinoja
Brian J. Wilsey
Fluctuating asymmetry (FA), or random non-directional deviations from perfect symmetry in bilaterally or radially symmetrical traits, has recently been proposed to be a useful indicator of genetic and environmental stress. However, the factors underlying fluctuating asymmetry, especially in plants, remain poorly understood. We sampled leaf fluctuating asymmetry among and within three species of even-aged birch (Betula pubescens, B. nana, and B. pendula) and their interspecific hybrids growing in common gardens of northern Finland to determine whether hybridization and environmental stress are associated with increased developmental instability. Our predictions were that: (1) interspecific hybrids among B. pubescens, B. nana, and B. …
Molecular Systematics Of The Freshwater Mussel Genus Potamilu (Bivalvia: Unionidae), Kevin J. Roe, Charles Lydeard
Molecular Systematics Of The Freshwater Mussel Genus Potamilu (Bivalvia: Unionidae), Kevin J. Roe, Charles Lydeard
Kevin J. Roe
Few explicit hypotheses for the relationships of unionid mussels exist. The absence of explicit phylogenetic hypotheses is problematic and is in part responsible for the lack of taxonomic stability seen in this group. In this paper we examine the relationships of mussels in the genus Potamilus, based upon the DNA sequences of a 600 base pair portion of the first subunit of the mitochondrial cytochrome c oxidase (COI) gene. We also examine the genetic distinctiveness of populations of the inflated heelsplitter P. inflatus. The molecular phylogeny indicates that Potamilus is paraphyletic with Leptodea fragilis and Lampsilis ornata nested between P. …
Species Delineation And The Identification Of Evolutionarily Significant Units: Lessons From The Freshwater Mussel Genus Potamilus (Bivalvia: Unionidae), Kevin J. Roe, Charles Lydeard
Species Delineation And The Identification Of Evolutionarily Significant Units: Lessons From The Freshwater Mussel Genus Potamilus (Bivalvia: Unionidae), Kevin J. Roe, Charles Lydeard
Kevin J. Roe
Accurate identification of biological entities is critical to the timely and efficient preservation of biodiversity. Concepts that define segments of biological diversity--species and evolutionarily significant units (ESUs)--should reflect our current knowledge of the biological world. Conflation of different hierarchical definitions of taxa has the potential to obscure distinct biological entities in need of protection. The concept of the ESU has been criticized because it includes within its definition distinct biological entities that otherwise would be recognized as species. Herein we evaluate several versions of the evolutionary significant unit concept and provide as a case study an analysis of geographic variation …
The Role Of Ligand Flexibility In Predicting Biological Activity: Structure–Activity Relationships For Aryl Hydrocarbon, Estrogen, And Androgen Receptor Binding Affinity, Steven P. Bradbury, Ovanes G. Mekenyan, Gerald T. Ankley
The Role Of Ligand Flexibility In Predicting Biological Activity: Structure–Activity Relationships For Aryl Hydrocarbon, Estrogen, And Androgen Receptor Binding Affinity, Steven P. Bradbury, Ovanes G. Mekenyan, Gerald T. Ankley
Steven P. Bradbury
Recent studies indicate that the potency and agonist or antagonist activity of steroid hormone ligands are dependent, in part, on ligand–receptor binding affinity as well as the conformation of the ligand–receptor complex. The binding of ligands to hormone receptors is thought to involve interactions by which shapes of both the receptor and ligand are modified in the formation of the ligand–receptor complex. As a consequence, it is essential to explore the significance of ligand flexibility in the development of screening-level structure–activity relationships. In this review, examples are provided of techniques used to generate and screen ligand conformers in the development …