cssi/SciSciGPT-SciSciNet huggingface dataset:
Reduced Function Set Abstraction (RFSA) for MPI-IO

Programmers productivity has always been overlooked as compared to the performance optimizations in high performance computing (HPC) community. In many parallel programming languages like MPI/MPI-IO, the performance optimizations are provided as various function options to the programmers. In order to write an efficient code, they are required to know the exact usage of the optimization functions, hence programmer productivity is limited. In this paper, we present RFSA, a Reduced Function Set Abstraction based on an existing parallel programming interface (MPI-IO) for I/O. The purpose of RFSA is to hide the performance optimization functions from the application developer, and relieve the application developer from deciding on a specific function. The proposed set of functions rely on a selection algorithm to decide among the most common optimizations provided by MPI-IO. We implement a selection algorithm for I/O functions like read, write, etc., and also merge a set of functions for data types and file views. By running different parallel I/O benchmarks on both medium-scale clusters and NERSC supercomputers, we show an improved programmer productivity (35.7% on average). This approach incurs an overhead of 2–5% for one particular optimization, and shows performance improvement of 17% when a combination of different optimizations is required by an application.
Dynamical aspects of precursor state kinetics

Abstract An examination of precursor adsorbed states from a dynamical viewpoint reveals that two commonly used models of precursor kinetics are not generally applicable. For the case of molecular chemisorption, simple, linear rate laws may not be valid unless the adsorbate-solid system meets certain dynamical criteria. On the other hand, for dissociatively chemisorbed species, a serious error can be made in estimating the effect of temperature on the adsorbate dissociation rate if one ignores, as is usually done, the temperature dependence of the initial sticking probability of the molecule.
Computation of thermo-chemical nonequilibrium Martian atmospheric entry flows

The aerothermodynamics of a Martian atmospheric entry trajectory are studied. A chemical kinetics model for the CO2-N2 mixture found in the Martian atmosphere is implemented in a two-dimensional computational fluid dynamics method. The gas mixture is allowed to be in thermo-chemical nonequilibrium and to be composed of eight species characterized by two temperatures. The CO2 reaction model is validated by comparing computations to experimental results. Results for typical Martian entry conditions are presented and limitations of the current thermophysical model are discussed.
The membrane-proximal tryptophan-rich region of the HIV glycoprotein, gp41, forms a well-defined helix in dodecylphosphocholine micelles.

The membrane-proximal tryptophan-rich region of the HIV transmembrane glycoprotein, gp41, plays an important role in the membrane fusion reaction. Using NMR spectroscopy, we have studied the tertiary structure of a synthetic 19-residue amidated peptide (NH 2-KWASLWNWFNITNWLWYIK- CONH2) corresponding to this region in membrane-mimetic environments. Initial experiments in sodium dodecyl sulfate/H2O micelles and trifluoroethanol gave poor results, because of low solubility. However, in dodecylphosphocholine micelles, we obtained excellent 500 and 800 MHz NMR spectra, suggesting that the peptide has a preference for a zwitterionic membrane-like environment. The final NMR structures demonstrated a well-defined helical peptide with a backbone rmsd of 0.47 ( 0.18 A. Four of the five tryptophan residues, as well as the tyrosine residue, formed a "collar" of aromatic residues along the axial length of the helix. By analogy to related tryptophan-rich antimicrobial peptides, the structure indicates that the aromatic residues of the HIV peptide are positioned within the membrane-water interface of a phospholipid bilayer. This is confirmed by the observation of direct NOEs between the aromatic residues of the peptide to the headgroup and interfacial protons of prototonated dodecylphosphocholine. The bulk of the polar residues are positioned on one face of this structure, with the hydrophobic phenylalanine side chain on the opposing face, forming an amphipathic structure. This work shows that the Trp-rich membrane- proximal region of HIV and related viruses can bind to the surfaces of zwitterioninc membranes in a "Velcro-like" manner.
Perceptual consequence of vents in hearing aids.

The perceptual consequence of venting an ear mould while maintaining the insertion gain at a preferred listening level was examined on nine hearing-impaired individuals with bilaterally symmetrical sloping sensor neural hearing loss. Subjects wore binaural programmable hearing aids and selected their preferred insertion gain while the hearing aids were coupled to vented (2.2 mm parallel vent) and invented ear moulds. A modified Simplex procedure with discourse passages presented in quiet was used to determine preferred insertion gain. The results showed that venting enhanced subjects' quality rating of the hearing aids during listening and vocalization tasks, but did not change subjects' word recognition scores. These results suggest that vented ear moulds should be used to achieve target insertion gain in order to maximize patients' acceptance of hearing aids.
Learned Ethical Behavior: An Academic Perspective

The authors analyzed the reactions of various academic-level respondent groups to 14 short scenarios reflecting ethical dilemmas in higher education and research. As the authors hypothesized, groups differed in their views of the dilemmas presented. The results did not support a 2nd hypothesis predicting a linear relationship between academic achievement of respondent groups and their ethical responses. The authors expected that as respondents gained more exposure to ethical perspectives through further education, they would respond accordingly, supporting a correlation effect. Despite significant differences between groups in their assessments of the dilemmas, situational differences other than educational attainment appeared to be most influential. The authors discussed implications, which raised doubt about whether teaching ethics enhances ethical behavior.
Leading and Trailing Anvil Clouds of West African Squall Lines

The anvil clouds of tropical squall-line systems over West Africa have been examined using cloud radar data and divided into those that appear ahead of the leading convective line and those on the trailing side of the system. The leading anvils are generally higher in altitude than the trailing anvil, likely because the hydrometeors in the leading anvil are directly connected to the convective updraft, while the trailing anvil generally extends out of the lower-topped stratiform precipitation region. When the anvils are subdivided into thick, medium, and thin portions, the thick leading anvil is seen to have systematically higher reflectivity than the thick trailing anvil, suggesting that the leading anvil contains numerous larger ice particles owing to its direct connection to the convective region. As the leading anvil ages and thins, it retains its top. The leading anvil appears to add hydrometeors at the highest altitudes, while the trailing anvil is able to moisten a deep layer of the atmosphere.
A gel electrophoresis method for epitope mapping studies with monoclonal antibodies

Abstract The linear polyacrylamide gradient gel electrophoresis method of Lambin and Fine (1979, Anal. Biochem.98, 160–168) has been adapted for estimation of the molecular weights of antigen-antibody complexes, thereby providing information useful in epitope maping studies with monoclonal antibodies. The method has been applied to mapping of the epitopes recognized by four different monoclonal antibodies raised against rat brain hexokinase (1984, Finney et al., J. Biol. Chem., 259, 8232–8237). The results obtained with the gel electrophoresis method were in agreement with epitope mapping studies conducted by the molecular sieve high-performance liquid chromatographic method of Crawford et al., (1982, Proc. Natl. Acad. Sci. USA79, 7031–7035). Epitope mapping by the gel electrophoretic method offers several advantages in terms of speed, convenience, and economy when compared with alternative procedures that have been described.
Conformational Studies of N3-Substituted [1,3,4]-Oxadiazinan-2-ones

Pseudoephedrine-based [1,3,4]-oxadiazinan-2-ones acylated at the N(3)-position with either acetyl (2a), propionyl (2b), or phenylacetyl (2c) substituents are known to undergo conformational changes that are observable by (13)C NMR spectroscopy. The conformational properties of new [1,3,4]-oxadiazinan-2-one derivatives 2d-k are examined by X-ray crystallography and variable-temperature (13)C NMR spectroscopy and further evaluated by semiempirical AM1 calculations. The collected data reveal that the conformational changes of the overall ring system are dependent upon the stereoelectronic factors of the N(3)-substituent.
The Cumulus Parameterization Problem: Past, Present, and Future

Abstract A review of the cumulus parameterization problem is presented with an emphasis on its conceptual aspects covering the history of the underlying ideas, major problems existing at present, and possible directions and approaches for future climate models. Since its introduction in the early 1960s, there have been decades of controversies in posing the cumulus parameterization problem. In this paper, it is suggested that confusion between budget and advection considerations is primarily responsible for the controversies. It is also pointed out that the performance of parameterization schemes can be better understood if one is not bound by their authors' justifications. The current trend in posing cumulus parameterization is away from deterministic diagnostic closures, including instantaneous adjustments, toward prognostic or nondeterministic closures, including relaxed and/or triggered adjustments. A number of questions need to be answered, however, for the merit of this trend to be fully utilized. M...
MONTE CARLO STUDY OF FORWARD STEPWISE DISCRIMINATION BASED ON SMALL SAMPLES

Abstract The classification performance of forward subset selection procedures designed for use in the two group, P -variate normal classification problem was examined in Monte Carlo studies of 54 cases where the P measurements were statistically independent and provided an optimal probability of correct classification of 90%. The cases were characterized by differing reference sample sizes, sample size ratios and different rates at which the Mahalanobis distances would increase if the forward selection algorithm were applied to the population parameters. Classification performance appears to be dependent upon these underlying rates, which would be unknown in practice. Therefore, uniform specification of optimal “significance levels” for the standard F tests cannot be made A two-stage subset selection procedure which involves determining this rate before applying the F tests is suggested.
Progressive transmission of high-fidelity radiographic images at very low bit rates

Compression of medical images has always been viewed with skepticism since the loss of information involved is thought to affect diagnostic information. Recent reports, however, indicate that some wavelet based compression techniques may not effectively reduce the image quality even when subjected to compression ratios (CRs) up to 30:1. Although generation of minimum distortion at a specific bit rate by vector quantization (VQ) has been theoretically proven from rate distortion theory almost half a century ago, practical implementation of VQ for small sizes and classes of images has been accomplished relatively recently. Many of the earlier algorithms using simple statistical clustering suffer from a number of problems namely lack of convergence, getting trapped in local minima, and inability to handle large datasets. More advanced vector quantization algorithms have eliminated some of the above problems. However, vector quantization of large data sets as encountered in many medical images still remains a challenging problem. We present here an adaptive vector quantization technique including an entropy coding module that is capable of encoding large size radiographic as well as color images with minimum distortion in the decoded images even at CRs above 100:1.
String-generated gravity models.

Expansion of supersymmetric string theory suggests that the leading quadratic curvature correction to the Einstein action is the Gauss-Bonnet invariant. We show that this model has both flat and anti-de Sitter space as solutions, but that the cosmological branch is unstable, because the graviton becomes a ghost there: The theory solves its own cosmological problem. The general static spherically symmetric solution is exhibited; it is asymptotically Schwarzschild. The sign of the Gauss-Bonnet coefficient determines whether there is a normal event horizon (for the string-generated sign) or a naked singularity. We discuss the effects of higher-curvature corrections and of an explicit cosmological term on stability.
Orientational ordering of icosahedra in solid C60.

We determine the allowed structures for orientationally ordered icosahedral molecules on a fcc lattice such that there are four molecules per simple-cubic unit cell. The allowed space groups are Pm3, Pn3, and Pa3. In the latter two, an angle of rotation assumes a value not fixed by symmetry. The locations of all 240 atoms in the unit cell as deduced from the powder x-ray data of Heiney et al. are tabulated. We discuss a number of minima in the free energy which correspond to the observed Pa 3 structure of solid C 60
Sympathetic and parasympathetic regulation of cystatin S gene expression.

Abstract The autonomic nervous system plays a regulatory role in the differentiation and growth of salivary glands, and in the expression of salivary specific genes. Cystatin S, a member of the evolutionarily conserved family 2 of the cysteine proteinase inhibitor superfamily, expressed in submandibular and parotid glands of rats during development, can be induced in adults by the β-adrenergic agonist isopreterenol (IPR). It was shown previously that unilateral sympathectomy or bilateral parasympathectomy reduces IPR-induced cystatin S expression. The present experiments demonstrate that IPR-induced cystatin S gene expression in submandibular glands is reduced as early as 3 days post bilateral denervation of both branches of the autonomic nervous system. The reduction is nearly equal to that of either sympathectomy or parasympathectomy alone, suggesting that factor(s) in both sympathetic and parasympathetic fibers are simultaneously required for IPR-induced cystatin S gene expression.
Energetics of xylose decomposition as determined using quantum mechanics modeling.

The decomposition of xylose has been studied using quantum mechanical calculations supported by NMR data. Proposed mechanisms for the decomposition of xylose have been investigated by obtaining the structures and energies of transition states and products. The intent of this study was to understand the experimentally observed formation of furfural and formic acid that occurs during the decomposition of xylose in mildly hot acidic solutions. A mechanism of furfural formation involving the opening of the pyranose ring and subsequent dehydration of the aldose was compared to a direct intramolecular rearrangement of the protonated pyranose. Energies were determined using CBS-QB3, and it was shown that the barriers for dehydration of the aldose were high compared to intramolecular rearrangement. This result suggests that the latter mechanism is a more likely mechanism for furfural formation. The intramolecular rearrangement step results from protonation of xylose at the O2 hydroxyl group. In addition, it has b...
Turbulent Comptonization in relativistic accretion disks

Abstract Turbulent Comptonization, a potentially important damping and radiation mechanism in relativistic accretion flows, is discussed. Particular emphasis is placed on the physical basis, relative importance, and thermodynamics of turbulent Comptonization. The effects of metal absorption opacity on the spectral component resulting from turbulent Comptonization is considered as well.
Working Class Hero

Linux and open source software represent a force that long predates the computer era: the notion of contributing to the common good.
Reforming the Legal Profession through Faith-Based Service Learning for Law Students: Notre Dame's 'Just Communities' Project

Major curricular reform is long overdue at many American law schools, and the current economic crisis presents a unique opportunity for change. This article argues for a greater emphasis onservice learning in the law school curriculum so that students can acquire a wider range of pactical skills essential to lawyers and gain a deeper sense of engagement with issues of justice. At Notre Dame's London Law Centre, the "Just Communities" project offers a compelling example of how this can be accomplished. Through participation in faith-based community organizing, law students not only gain valuable skills essential to the lawyer's craft, but they also become much more intimately aware of the lives of people who often live at the margins of society. These encounters often provide students with some of their most powerful examples of the law's power as a tool for the promotion of human dignity.
Cytochalasin B: inhibition of D-2-deoxyglucose transport into leukocytes and fibroblasts.

Cytochalasin B inhibits transport of D-2-deoxyglucose and of glucosamine into kukocytes, but does not impair uptake of kucine by these cells. This inhibitory action is rapid and reversible, and results in suppression of glycolysis. Cytochalasin B also blocks transport of D-2-deoxyglucose, but not of leucine, into mouse L strain fibroblasts.
Physical and chemical properties of soils as affected by municipal solid waste compost application

Abstract The organic matter content of composted MSW is high and its addition to soil often improves soil physical and chemical properties and enhances biological activities. Most agricultural benefits from MSW compost application to soil are derived from improved physical properties related to increased organic matter content rather than its value as a fertilizer. Composts provide a stabilized form of organic matter that improves the physical properties of soils by increasing nutrient and water holding capacity, total pore space, aggregate stability, erosion resistance, temperature insulation and decreasing apparent soil density. Application of MSW compost improves the chemical properties by increasing pH (in acid soils), electrical conductivity, cation exchange capacity, and soil nutrient content.
Scintigraphic and radiographic patterns of skeletal metastases in breast cancer: value of sequential imaging in predicting outcome.

To determine whether temporal changes in scintigraphic and bone radiographic findings have prognostic significance in patients with skeletal metastases from breast cancer. Clinical information and films were retrospecitvely reviewed in 101 randomly selected patients with skeletal metastases. Images from sequential bone scans and bone radiographs were correlated with survival after detection of the metastases. Time to detection of skeletal metastases and the length of time for which patients were classified as radiologically stable after development of skeletal metastases correlated with survival (r=0.843; r=0.821, respectively). Failure to develop a radiographically and scintigraphically stable pattern after treatment was associated with significantly decreased survival compared with the rest of the patients (mean survival 2.1±1.3 years vs 4.3±2.3 years; p<0.001). Scintigraphic regression of metastases was associated with significant survival benefit and longer stabilization of disease compared to all other patterns (mean survival 5.0±2.7 years for regressive disease vs 3.7±1.9 years for stable disease and 2.2±1.3 years for progressive disease; p<0.001). Sequential scintigraphic and radiographic imaging is useful in breast cancer patients not only for detection of metastases and monitoring of treatment effect, but also because these studies provide valuable prognostic information.
Protectionism and the case for flexible exchange rates: A reexamination

This paper reexamines the arguments by early proponents that flexible exchange rates would lessen the incentives for protectionism and also permit countries to pursue independent monetary policies. We argue that there is a basic inconsistency between these two arguments; the pursuit of independent monetary policy can lead to situations which involve very strong pressures on policy-makers to engage in protection. A theoretical analysis supporting our argument is developed, and some circumstantial evidence is presented.
Magnetotransport properties of p-type HgTe-CdTe superlattices.

Magnetotransport measurements are reported on HgTe-CdTe and ${\mathrm{Hg}}_{1\ensuremath{-}x}{\mathrm{Cd}}_{x}\mathrm{Te}\ensuremath{-}\mathrm{CdTe}$ superlatices. The Hall coefficients of these superlattices change from negative to positive as temperatures decrease and magnetic fields increase. Shubnikov-de Haas oscillations are observed and the temperature dependence of the amplitude of such oscillations indicates that the dominating carriers at low temperatures are the heavy holes. This is in agreement with band-structure calculations of these superlattices. The mobilities of these $p$-type superlattices are much higher than those of the best bulk $p$-type ${\mathrm{Hg}}_{1\ensuremath{-}x}{\mathrm{Cd}}_{x}\mathrm{Te}$ layers. We speculate that this mobility enhancement is related to the interface states which only exist in type-III superlattices.
Phase separation behavior of poly(methyl methacrylate-co-dimethylaminoethyl methacrylate)/methyl silsesquioxane hybrid nanocomposites studied by dansyl fluorescence

Ultralow dielectric constant (k) materials (k < 2.0) are generally prepared by the sacrificial macromolecular porogen route. Dansyl steady-state and time-resolved fluorescence have been used to stu...
Transforming Human Services Organizations Through Empowerment of Staff

Abstract Empowerment of clients has become a popular goal of social work practice. However, empowerment of social workers in their workplace has received much less attention. In order for human services organizations to transform themselves to meet the challenges that lie ahead, they must empower their staff and genuinely involve them in the process of redesign. While worker empowerment has been embraced by business corporations and other public service organizations, the social work profession has paid little attention to it. This paper examines the prevailing model of worker involvement in organizational change in human services organizations, and suggest that this model be revised in light of new demands and new understanding of organizational change. It identifies and challenges three main assumptions of this approach, and then proposes a new model in which worker involvement is formally sanctioned and is viewed as part of the professional social worker's role. It is also viewed as part of a continuou...
Phenotypic correlations among fitness and its components in a population of the housefly

An individual's or a population's fitness is the result of a large number of interacting life history traits and the environment. Little information is available on the phenotypic correlations among fitness components and fitness itself, especially outside of Drosophila melanogaster. We also lack detailed information on trade-offs among life history traits. Here we present the relationship between adult progeny production and eight components of fitness, as well as some observed trade-offs between life history traits in the housefly (Musca domestica). We briefly discuss some of the ramifications of these relationships.
Linear-electric-field effect on g values of low-symmetry cupric sites.

We have investigated the linear\char21{}electric-field effect (LEFE) in cupric ions situated in ligand fields of low symmetry. General properties of LEFE signals resulting from various low-symmetry models are described. Treating g values, we show how hybrid-orbital ``united-atom'' models can be used for direct calculation of the LEFE signal expected from cupric sites of specific low-symmetry geometries. This hybrid\char21{}atomic-orbital approach is shown to give a straightforward method for interpreting LEFE data in terms of cupric electronic states that directly reflect the ligand environment. Results are presented which demonstrate the potential of calculations with this model to account quantitatively for the LEFE data from blue cupric proteins.
Distributions of GABAA, GABAB, and benzodiazepine receptors in the forebrain and midbrain of pigeons

Autoradiographic and immunohistochemical methods were used to study the distributions of GABAA, GABAB and benzodiazepine(BDZ) receptors in the pigeon fore- and midbrain. GABAA, GABAB and BDZ binding sites were found to be abundant although heterogeneously distributed in the telencephalon. The primary sensory areas of the pallium of the avian telencephalon (Wulst and dorsal ventricular ridge) tended to be low in all three binding sites, while the surrounding second order belt regions of the pallium were typically high in all three. Finally, the outermost rind of the pallium (termed the pallium externum by us), which surrounds the belt regions and projects to the striatum of the basal ganglia, was intermediate in all three GABAergic receptors types. Although both GABAA and benzodiazepine receptors were abundant within the basal ganglia, GABAA binding sites were densest in the striatum and BDZ binding sites were densest in the pallidum. Among the brainstem regions receiving GABAergic basal ganglia input, the anterior and posterior nuclei of the ansa lenticularis showed very low level of all three receptors, while the lateral spiriform nucleus and the ventral tegmental area/substantia nigra complex contained moderate abundance of the three binding sites. The dorsalmost part of the dorsal thalams (containing nonspecific nuclei) was rich all three binding sites, while the more ventral part of the dorsal thalamus (containig specific sensory nuclei), the ventral thalamus and the hypothalamus were poor in all three binding sites. The pretectum was also generally poor in all three, althrough some nuclei displayed higher level of one or more binding sites. The optic tectum, inferior colliculus, and central gray were rich in all three sites, while among the isthmic nuclei, the parvicellular isthmic was nucleus was conspicuously rich in BDZ sites. The REsults show a strong correlation of the regional abundance of GABA binding sites with previously described distributions of GABAergic fibers and terminals in the avaian forebrain and midbrain. The distribution of these binding sites is also remarkably similar to that in mammals, indicating a conservative evolution of forebrain and midbrain GABA systems systems among amniotes. © 1994 Wiley-Liss, Inc.
Abnormal magnetic resonance imaging T2 relaxation time asymmetries in Tourette's syndrome

Recent imaging studies in Tourette's syndrome (TS) have reported a loss of normal asymmetry in basal ganglia volumes. Our recent report of reduced midline sagittal cross-sectional area in TS suggests that altered lateralization may be widespread throughout the TS cerebrum. We report here our analyses of cerebral asymmetries of T2 (transverse or spin-spin) relaxation times derived from multi-echo/multi-planar/spin-echo magnetic resonance images in 14 adult TS subjects and 14 matched normal control subjects. T2 relaxation times were found to be asymmetric throughout the cerebrum of normal control subjects, with differences seen between T2 times of corresponding regions of both cerebral hemispheres that were small in magnitude (2-5%) but of a high degree of statistical significance in all regions examined. Our hypothesis of altered T2 relaxation time asymmetries in TS was confirmed in a multivariate analysis of variance, with post hoc analyses suggesting that group differences were attributable to specific asymmetry differences in the TS insular cortex and frontal white matter. Exploratory analyses revealed group differences in T2 times of the amygdala and red nucleus, as well as significantly lower ferritin levels in the TS group. These findings are discussed in relation to the previous TS volumetric studies, and the tissue characteristics that might produce normal and abnormal relaxation time asymmetries are considered.
The cellular basis of bacterial infection

Innate and adaptive immune responses are responsible for the prevention of and recovery from bacterial infections. Fully immunocompetent humans make adaptations to the pathogens within their environment. Bacterial pathogens are capable of responding to immune adaptations to avoid destruction and elimination. Examination of the bacterial mechanisms of evasion has revealed the evolution of many elegant systems capable of thwarting host defenses. Undoubtedly, more mechanisms have yet to be discovered. A major concern as bacteria become more antibiotic resistant is whether human immune adaptation can evolve sufficiently to keep pace with bacterial evolution of evasion mechanisms.
Catbarantbus alkaloids XV. Isolation of vindolinine from C. lanceus leaves

A continuing study of Catharantbus lanceus for antineoplastic alkaloids has resulted in the isolation of vindolinine (as HC1), which is reported for the first time from this plant. Perivine and yohimbine, reported previously, were also obtained in high yield.
Dihydropiperazine Neonicotinoid Compounds. Synthesis and Insecticidal Activity

Syntheses of various isomeric dihydropiperazines can be approached successfully by taking advantage of the regioselective monothionation of their respective diones. Preparation of the precursor unsymmetrical N-substituted piperazinediones from readily available diamines is key to this selectivity. The dihydropiperazine ring system, as exemplified in 1-[(6-chloropyridin-3-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidenecyanamide (4) and 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methyl-3-oxopiperazin-2-ylidenecyanamide (25), has been shown to be a suitable bioisosteric replacement for the imidazolidine ring system contained in neonicotinoid compounds. However, placement of the cyanoimino electron-withdrawing group further removed from the pyridine ring, as in 4-[(6-chloropyridin-3-yl)methyl]-3-oxopiperazin-2-ylidenecyanamide (3a), or relocation of the carbonyl group, as in 1-[(6-chloropyridin-3-yl)methyl]-4-methyl-5-oxopiperazin-2-ylidenecyanamide (5), results in significantly decreased bioisosterism. The dihydropiperazine ring system of 4 and 25 also lends a degree of rigidity to the molecule that is not offered by the inactive acyclic counterpart 2-[(6-chloropyridin-3-yl)-methyl-(methyl)amino]-2-(cyanoimino)-N,N-dimethylacetamide (6). A pharmacophore model is proposed that qualitatively explains the results on the basis of good overlap of the key pharmacophore elements of 4 and imidacloprid (1); the less active regioisomers of 4 (3a, 5, and 6) feature a smaller degree of overlap.
Episodic incision of the Colorado River in Glen Canyon, Utah

Incision rates of the Colorado River are integral to understanding the development of the Colorado Plateau. Here we calculate episodic incision rates of the Colorado River based on absolute ages of two levels of Quaternary deposits adjacent to Glen Canyon, Utah, along the north flank of Navajo Mountain. Minimum surface ages are determined by a combination of cosmogenic radionuclide surface exposure ages, uranium series and soil-development formation times. Bedrock incision rates of the Colorado River between c. 500 ka and c. 250 ka, and c. 250 ka to present are c. 0·4 m ka−1 and c. 0·7 m ka−1, respectively. These rates are more than double the rates reported in the Grand Canyon, suggesting that the Colorado River above Lees Ferry is out of equilibrium with the lower section of the river. We also determine incision rates of two tributaries to the Colorado River. Oak Creek and Bridge Creek flow off Navajo Mountain into Glen Canyon from the southeast. Oak Creek and Bridge Creek both have incision rates of c. 0·6 m ka−1 over the past c. 100 ka at points about 9 km away from the main stem of the Colorado River. Copyright © 2005 John Wiley & Sons, Ltd.
On market-based coordination of Thermostatically Controlled Loads with user preference

This paper presents a market-based control framework to coordinate a group of Thermostatically Controlled Loads (TCL) to achieve system-level objectives with price incentives. The problem is formulated as maximizing the social welfare subject to a feeder power constraint. It allows the coordinator to affect the aggregated power of a group of dynamical systems, and creates an interactive market where the users and the coordinator cooperatively determine the optimal energy allocation and energy price. The optimal pricing strategy is derived, which maximizes social welfare while respecting the feeder power constraint. The bidding strategy is also designed for the coordinator to compute the optimal price based on local device information. Numerical simulations based on realistic price and model data are performed. The simulation results demonstrate that the proposed approach can effectively maximize the social welfare and reduce power congestion at key times.
Synthesis and Characterization of a Ruthenium(II) Complex for Photovoltaic Cells

We have designed and synthesized a new ruthenium complex, [(5‐amino‐1,10‐phenanthroline)bis(4,4′‐dicarboxylic acid‐2,2′‐bipyridine)]ruthenium(II) by introducing two types of ligands, 5‐amino‐1,10‐phenanthroline and 4,4′‐dicarboxylic acid‐2,2′‐bipyridine. We investigated the electronic, spectroscopic, electrochemical, and photovoltaic properties of the Ru(II) complex. The short‐circuit current density and overall solar‐to‐electric energy conversion efficiency of photovoltaic cells made with this Ru(II) complex were found to be 8.9 mA/cm2 and 2.1%, respectively. A series of analogous Ru(II) complexes have also been synthesized and investigated to compare the effects of functional groups on various ligands. HOMO‐LUMO energies and molecular orbital surfaces have been investigated using semiempirical quantum chemical methods.
Stress, burnout, anxiety and depression among dentists

ABSTRACT Background Dentists encounter numerous sources of professional stress, beginning in dental school. This stress can have a negative impact on their personal and professional lives. Conclusions Dentists are prone to professional burnout, anxiety disorders and clinical depression, owing to the nature of clinical practice and the personality traits common among those who decide to pursue careers in dentistry. Fortunately, treatment modalities and prevention strategies can help dentists conquer and avoid these disorders. Practice Implications To enjoy satisfying professional and personal lives, dentists must be aware of the importance of maintaining good physical and mental health. A large part of effective practice management is understanding the implications of stress.
Expert system for geologic mapping with imaging spectrometers

Techniques have been developed for the extraction and characterization of absorption features from visible and infrared reflectance spectra and an expert system has been designed, implemented, and successfully tested that allows automated identification of minerals based on their spectral characteristics. A suite of laboratory spectra of common minerals was analyzed and the absorption band characteristics tabulated and used to develop a generalized knowledge base for analysis of the reflectance spectra. A tree hierarchy was designed to emulate the decision process followed by an experienced analyst for analysis of laboratory and field reflectance spectra and aircraft imaging spectrometer spectra. Good results were obtained with the expert system for all three types of spectra, with the critical factor in the analysis being the signal-to-noise ratio of the spectral data.
Technique for Calculating Infrared Absorptance by a Regular Band

An analytical technique which can be used to derive effective total line intensities in a regular band has been developed. These intensities can, in turn, be used to calculate atmospheric transmittance. The calculations are of such length that electronic computers are required for the work. The results are given in terms of an atmospheric absorptance curve which agrees well with the experimental data.
Statistical equipment modeling for VLSI manufacturing: an application for LPCVD

An equipment characterization and modeling methodology has been developed. The methodology is based on the development of generic first-principle process models. These models are subsequently refined and fitted to specific manufacturing equipment by using a multistage D-optimal experimental design. The methodology has been successfully applied to a low-pressure chemical vapor deposition (LPCVD) furnace for undoped polysilicon deposition. A two-stage D-optimal experiment with 24 runs has yielded fitted models for the film growth rate and film residual stress. The calibrated models agree well with the experimental data and account for the observed variations. >
TCT-785 The "Eyeball Test" in Aortic Stenosis: Characterizing Subjective Frailty with Objective Measures

Assessment of frailty complements traditional risk assessment in high-risk older adults with aortic stenosis (AS). Subjective frailty assessment is widely used, but its associations with objective markers of frailty are poorly characterized. Frailty was subjectively assessed by an interventional
Comparison of amino-acid sequences of hypothalamic peptide, brain-specific histone and myelin basic protein.

SEVERAL studies have described the basic proteins of porcine central nervous tissue. Shome and Saffran1 have isolated and purified a large peptide (or small protein) of molecular weight about 14,000 from acetone-dried hog hypothalamic powder. Sixteen of the approximately twenty-six tryptic digest fragments of this protein have been sequenced. The protein has no pressor or ACTH-releasing activity. Tomasi-and Kornguth2 purified and partially characterized a basic protein from pig brain and, on the basis of fluorescent antibody studies, they concluded that this protein is a brain-specific histone, found in neurone nuclei (or nucleoli) of several animals3–5.
Psychogenic amenorrhea: Diagnosis by exclusion

Abstract Nonphysiologic absence of menses among women in the reproductive age group may be caused by psychosocial stress factors as well as by disorders of the hypothalamic-pituitaryovarian axis. The diagnosis of psychogenic amenorrhea should not be entertained prior to exclusion of pathologic conditions of the uterus, ovaries, pituitary gland, and the central nervous systern. Obtaining a thorough history, a complete physical examination, and selective laboratory tests is essential for evaluationof a patient with amenorrhea.
The Acidic Region of the Factor VIII Light Chain and the C2 Domain Together Form the High Affinity Binding Site for von Willebrand Factor

A binding site for von Willebrand factor (vWf) was previously localized to the carboxyl terminus of the C2 domain of the light chain (LCh) of factor VIII (fVIII). The acidic region of the LCh, residues 1649-1689, also controls fVIII.vWf binding by an unknown mechanism. Although anti-acidic region monoclonal antibodies prevent formation of the fVIII.vWf complex, the direct involvement of the acidic region in this binding has not been demonstrated. By limited proteolysis of LCh with Staphylococcus aureus V8 protease, we prepared 14- and 63-kDa LCh fragments, which begin with fVIII residues 1672 and 1795, respectively. Using surface plasmon resonance to measure binding interactions, we demonstrated that the 14-kDa fragment binds to vWf, but its affinity for vWf (Kd 72 nM) was 19-fold lower than that of LCh. This was not due to an altered conformation of the acidic region within the 14-kDa fragment, since its affinity for an anti-acidic region monoclonal antibody was similar to that of LCh. All LCh derivatives lacking the acidic region (thrombin-cleaved LCh, recombinant C2, and 63-kDa fragment) had also greatly reduced affinities for vWf (Kd 564-660 nM) compared with LCh (Kd 3.8 nM). In addition, the similar affinities of these derivatives for vWf indicated that apart from its acidic region, the LCh contains no vWf binding site other than the one within C2. The reduced affinities of the LCh derivatives lacking the acidic region for monoclonal antibody NMC-VIII/5 (epitope, C2 residues 2170-2327) indicated that removal of the acidic region leads to a conformational change within C2. This change is likely to affect the conformation of the vWf binding site in C2, which overlaps the epitope of NMC-VIII/5; therefore, the acidic region also appears to be required to maintain the optimal conformation of this vWf binding site. Our results demonstrate that the acidic region and the C2 domain are both directly involved in forming a high affinity binding site for vWf.
Prospective Effects of Adolescent Indicators of Behavioral Disinhibition on DSM-IV Alcohol, Tobacco, and Illicit Drug Dependence in Young Adulthood

Abstract Objective To identify robust predictors of drug dependence. Methods This longitudinal study included 2361 male and female twins from an ongoing longitudinal study at the Center for Antisocial Drug Dependence (CADD) at the University of Colorado Boulder and Denver campuses. Twins were recruited for the CADD project while they were between the ages of 12 and 18. Participants in the current study were on average approximately 15 years of age during the first wave of assessment and approximately 20 years of age at the second wave of assessment. The average time between assessments was five years. A structured interview was administered at each assessment to determine patterns of substance use and Diagnostic and Statistical Manual of Mental Disorders (DSM-IV; Fourth Edition) attention deficit hyperactivity disorder (ADHD), conduct disorder (CD), and drug dependence symptoms. Cloninger's Tridimensional Personality Questionnaire was also used to assess novelty seeking tendencies (NS). At the second wave of assessment, DSM-IV dependence symptoms were reassessed using the same interview. Path analyses were used to examine direct and indirect mechanisms linking psychopathology and drug outcomes. Results Adolescent substance use, CD, and NS predicted young adult substance dependence, whereas the predictive effects of ADHD were few and inconsistent. Furthermore, CD and NS effects were partially mediated by adolescent substance use. Conclusions Adolescent conduct problems, novelty seeking, and drug use are important indices of future drug problems. The strongest predictor was novelty seeking.
A computer program for the calcite strain-gauge technique

Abstract The calcite strain-gauge technique has been used successfully to determine strains in slightly to moderately deformed limestones. The technique involves the use of a universal stage to collect calcite twin orientation, thickness and frequency data. The data are reduced by a least-squares method to give the orientations and magnitudes of the principal strains. The purpose of this paper is to describe an easy-to-use computer program for the technique, and an accompanying manual on collecting data for the strain-gauge analysis. The program calculates principal strain magnitudes and orientations, total strain due to twinning (J20.5), standard errors for the strains, average twin-width, twin intensity and percent negative expected values. In addition, the program can plot stereonets with compression axes, tension axes, poles to e twin planes, crystallographic c-axes, g-axes, average twin-widths per twin set, twin intensity per twin set, and positive and negative expected values. The stereonets may also be rotated. All calculated orientation data may be saved in a computer file for later input into a stereonet contouring program. The user may choose automatically to remove 20% of the twin sets with the largest deviation, or manually to remove selected twin sets from the data being analyzed, in order to ‘clean’ the data. Twin sets that give positive or negative expected values may also be analyzed separately.
Langerhans cells in squamous cell carcinoma vs. pseudoepitheliomatous hyperplasia of the skin.

Background: In clinical and histopathological practice, it is sometimes difficult to distinguish pseudoepitheliomatous hyperplasia (PEH) from squamous cell carcinoma (SCC) of the skin. Several studies have shown a low density of Langerhans cells in SCC of the skin, and recent research on cervical SCCs has suggested that the decreased density of dendritic cells is secondary to low E-cadherin expression. SCCs of the head and neck similarly have decreased E-cadherin expression, but E-cadherin expression is preserved in PEH. We hypothesized that PEH of the skin would have an increased number of Langerhans cells compared with SCC. Methods: We studied immunohistochemical expression of CD1a on paraffin-embedded tissue in 12 cases of SCC and 11 cases of PEH of the skin. Results: The number of Langerhans cells in SCCs vs. PEH was similar; in both types of lesions, the Langerhans cells were decreased in density compared with the normal flanking epidermis. Conclusions: PEH has a decreased number of Langerhans cells compared with the normal epidermis. As SCCs also have decreased numbers of CD1a-positive cells, this stain is not useful in differentiating these two entities.
Reciprocity and Retaliation in Social Games With Adaptive Agents

Game theory has been useful for understanding risk-taking and cooperative behavior. However, in studies of the neural basis of decision-making during games of conflict, subjects typically play against opponents with predetermined strategies. The present study introduces a neurobiologically plausible model of action selection and neuromodulation, which adapts to its opponent's strategy and environmental conditions. The model is based on the assumption that dopaminergic and serotonergic systems track expected rewards and costs, respectively. The model controlled both simulated and robotic agents playing Hawk-Dove and Chicken games against subjects. When playing against an aggressive version of the model, there was a significant shift in the subjects' strategy from Win-Stay-Lose-Shift to Tit-For-Tat. Subjects became retaliatory when confronted with agents that tended towards risky behavior. These results highlight the important interactions between subjects and agents utilizing adaptive behavior. Moreover, they reveal neuromodulatory mechanisms that give rise to cooperative and competitive behaviors.
A new model forN\(\bar N\) annihilation

A new quark model forN\(\bar N\) annihilation is proposed. It is argued that a linear superposition of the so-called3P0 and3S1 models is more consistent with QCD and the inclusion of quark degrees of freedom inNN scattering, and is also suggested by the data. A comparison is made, in Born approximation, with the angular distribution for\(p\bar p \to \Lambda \bar \Lambda \).
Surface photochemistry of CH3Cl: dissociative electron attachment through D2O spacer layers

The rates of photo-induced dissociation of chloromethane, CH3Cl, on D2O-precovered Pt(111) at 55 K were correlated with the measured yields of substrate-excited photoelectrons, for a variety of D2O-precoverages. An excellent quantitative correlation was obtained, consistent with the expected dissociative electron attachment (DEA) mechanism for the C-Cl bond cleavage. Measured electron energy distributions suggest that very low energy (< 0.4 eV) electrons are most effective for CH3Cl dissociation.