cssi/SciSciGPT-SciSciNet huggingface dataset:
Lanthanide polyether complexation chemistry : the interaction of hydrated lanthanide(III) nitrate salts with an acyclic 18-crown-6 analog, pentaethylene glycol

The complexation reactions of 1 : 1 molar ratios of M(NO3)3·nH2O (M = Y, La–Pr, Sm–Lu) and pentaethylene glycol (EO5) in 3 : 1 CH3CN : CH3OH were investigated. Crystalline complexes were isolated for all metals investigated and X-ray structural analyses performed. The M(NO3)3–EO5 complexes structurally characterized are remarkably similar to the corresponding 18-crown-6 complexes. Six structurally unique types of anhydrous complexes with the early- to mid-lanthanides (M = La–Nd, Sm–Dy) were found. For the largest metals studied, the twelve coordinate species [M(NO3)3(EO5)] (M = La, Ce) were isolated. A second form of the type [Ce(NO3)2(EO5)]7[Ce(NO3)6][NO3]4 was isolated for M = Ce from the same reaction mixture as the above complex. Praseodymium through dysprosium form ten coordinate species which all have the same basic formula, [M(NO3)2(EO5)][NO3], however, four structurally unique forms have been characterized with the major differences between each arising from the way in which the uncoordinated nitrate anion is hydrogen bonded to the glycol ligand, and the glycol conformation. The smallest lanthanides investigated, M = Ho–Lu, Y, form outer-sphere complexes [M(OH2)3(NO3)3]·EO5. Structural results suggest that the flexibility of the acyclic EO5 ligand allows for the formation of inner sphere complexes across most of the series, whereas the cyclic 18-crown-6 is too constrained to permit such complexation to the mid- to late-lanthanides.
What is the Shape of a Cluster?: Structural Comparisons of Document Clusters

Even today, most interfaces to document clustering present clusters to users and applications as a "bag of descriptive terms"? a technique that was proposed two decades ago. Consequently, users and applications are not able to obtain sophisticated structural knowledge that is indeed lying hidden in document clusters. In particular, the structural information about interaction of concepts that the cluster speaks about is completely missing from the bag of terms presentation. As the needs of unstructured information management increase, this shortcoming is coming into sharper focus. To address this shortcoming, we propose a rich representation of document clusters that surfaces the concept interactions within a cluster into the representation. We show that these interactions give a "shape" to the cluster. This "shape" is conveniently captured using a directed, colored, vertex-weighted graph, called the shape graph or, simply, the shape of the cluster. We show that shapes convey important structural information about document clusters, and can be computed efficiently.
A blood-free protein meal supporting oogenesis in the Asian tiger mosquito, Aedes albopictus (Skuse)

Female mosquitoes require blood meals to complete oogenesis, or egg development. Current methods of maintaining laboratory colonies of mosquitoes generally rely on the use of whole blood to feed females. Blood feeding protocols require special handling techniques, impart numerous potential health hazards, involve significant costs, and are widely variable in terms of their success rates. In this study, a simple protein formulation was provided to Aedes albopictus using a membrane feeding system. Under the experimental conditions tested, females readily accepted the blood-free meal and produced eggs in greater numbers than cohort females that were fed with whole human blood. Moreover, fertility was comparable between treatments and survivorship of hatched larvae was equal among feedings. This implies that a readily available blood-free meal could be utilized in the laboratory rearing of this species. The elimination of blood handling, reduced cost, and consistency of blood-free meals would potentially be advantageous to mosquito rearing facilities generally, and in terms of scale, to mass rearing facilities specifically.
Quantitative deformation model for two-phase composites including concrete

New rheological models are presented that can reproduce the load-induced deformations of two-phase composite materials from their compositions. The models are extensions of the earlier published ‘composite average’ concept. The mathematical forms of the rheological models are obtained first by considering the composite as a linearly viscoelastic, nonageing material. For ageing materials, such as concrete, the modulus of elasticity and viscosity of the hardened cement paste were estimated by suitable formulas from the cement type, water-cement ratio and age, and substituted into the nonageing solution (Equation 19). It is shown by two examples that Equation 19 can reproduce the creep of normal weight concrete quite well in terms of concrete composition, modulus of elasticity of aggregate and age of concrete, as well as age and duration of loading.
A static power control scheme for wireless cellular networks

We present a novel static power control scheme to improve system capacity in wireless cellular networks. Our basic idea is to reduce intercellular interference and improve the capture probability by coordinating transmission powers of users in different cells. This coordination is determined beforehand and no real-time coordination is required. Power control is static and fixed. We formulate and solve a generic optimal scheduling problem with our coordination scheme. We find that the optimal scheduling policy is in a simple form of bang-bang control, which is illustrated for a specific case with the uniform fairness constraint. We evaluate, via numerical analysis and simulation, both throughput and delay, and compare them with other schemes. We find that the coordination scheme can achieve significant performance improvement, in terms of both maximum throughput and throughput-delay tradeoff, over a wide range of capture ratio values.
Anatomical localization of immunoreactive oxytocin and β‐endorphin in the bovine neurointermediate lobe

Background: Beta-endorphin and oxytocin immunocytochemical localization were examined in the neurointermediate lobe (lobus nervosus and pars intermedia) of the bovine hypophysis in order to describe the anatomical distribution of these two neurointermediate lobe hormones. Methods: Twenty-seven bovine hypophyses were collected from slaughterhouse animals (seven mature lactating cows, eleven mature nonlactating cows, three nulliparous heifers, and six steers). Hypophyses were immunostained for oxytocin-containing fibers and β-endorphin-secreting cells by using the avidin biotin-immunoperoxidase method. The distributions of β-endorphin–positive cells and oxytocin-positive nerve fibers were plotted on projected outlines of the hypophyses. Immunoreactive staining intensity was graded numerically as weak, moderate, or heavy by three individuals who had no knowledge of the animals' physiological status. Results: Oxytocin immunoreactivity was confined to the lobus nervosus while β-endorphin staining was confined to the pars intermedia and the pars distalis. However, oxytocin immunopositive neurosecretory terminals were distributed more heavily in that part of the lobus nervosus bordering the pars intermedia than in the center of the lobe. Conclusions: These results were similar to those previously reported for the rat (Swaab et al., 1975; J. Neural Transm., 36:195–215; Deftos and Catherwood, 1980; Life Sci., 27:223–228). © 1994 Wiley-Liss, Inc.
The logic of reductionistic models

Abstract Allegedly reductionistic strategies in psychology rarely converge on matters of ontological consequence and thus rarely hold out promise of a genuinely reductionistic program of theory and explanation. This is all to the good for psychology for, were it otherwise, the discipline itself would be the first casualty. Of the humbler reductive strategies, it is the nomological that continues to earn scientific status for psychology, but this is a strategy that actually requires most of the psychological entities that reductionists typically seek to eliminate.
Generalizing the generalized hough transform

We present a new method for model based recognition of articulated objects in cluttered scenes. The objects consist of rigid parts connected by rotary or prismatic joints. Our method is based on an extension of the Generalized Hough Transform paradigm. It is applicable to various viewing transformations. Unlike previous methods no significant degradation is expected in performance for recognition of articulated objects compared with the recognition of rigid objects containing a similar amount of information.
Reframing incrementalism: A constructive response to the critics

The concept of incrementalism has been widely cited over the past three decades, yet it has not served as the basis for a cumulatively developing line of empirical and theoretical inquiry. As a result, the highly promising incrementalist framework has contributed surprisingly little to improving our understanding of how decision-making processes can better adapt to humans' cognitive limitations. One indicator of the lack of progress is that policy scholars have never made a sustained attempt to explain how practitioners can become better incrementalists. To see whether the concept's original formulation may be obscuring the way to further progress, we summarize and appraise four enduring criticisms of incrementalism: its alleged lack of goal orientation, conservatism, limited range of applicability, and negative stance toward analysis. While questioning the validity of the critics' claims, we nevertheless propose a way to reframe the incrementalist endeavor, with the intention of stimulating both its critics and defenders to get on with the task of learning more about how individuals, organizations, and societies can proceed relatively intelligently despite the fact that humans rarely have a good understanding of complex social problems and policy options.
Sex differences in the determinants of left ventricular mass in childhood. The Medical College of Virginia Twin Study.

BACKGROUND Left ventricular (LV) hypertrophy is a predictor of cardiovascular events in adults and has been observed in children and adolescents with hypertension. We wanted to establish the determinants of LV mass in normotensive preadolescent children. Our objectives were 1) to produce a simplified and generalizable model of the clinical variables that determine normal cardiac growth during childhood and 2) to understand better why males have an increased LV mass relative to females, even as children. METHODS AND RESULTS In a group of 243 eleven-year-old children, we analyzed anthropometric, hemodynamic, and echocardiographic data to define which variables were predictors of echocardiographically determined LV mass. Stepwise regression was used to predict LV mass overall, by sex, and by body size (body mass index). Overall, LV mass was directly related to weight, male sex, and systolic and diastolic blood pressure and inversely related to resting heart rate and skin-fold thicknesses. Systolic blood pressure was a determinant in boys but not in girls. Heart rate was a weak inverse correlate in both sexes. When the data were analyzed by body mass index quartile, weight was the sole predictor of LV mass in the largest children. CONCLUSIONS We conclude that in normotensive preadolescent children, 1) weight, but not pondersity, is a strong predictor of LV mass; 2) body fat is negatively associated with LV mass; 3) boys have an increased LV mass relative to girls; and 4) boys and girls have similar anthropometric determinants and may have different hemodynamic determinants. Our data suggest that body size, and in particular lean body mass, explains much of the variability in cardiac growth seen in children. The influence of hemodynamic variables seems to be more limited. Our findings are of general interest because, although hypertensive heart disease is well described, the early developmental stages are not well understood.
Tissue-specific transgene expression of chemokine ckβ-11 is coincident with enhanced levels of cycling macrophage progenitors in spleen

Abstract Little is known regarding movement of stem or myeloid progenitor cells. Chemokines implicated in chemotaxis of myeloid progenitors include stromal derived factor (SDF)-1 and CC chemokines CKβ-11/MIP-3β /EBI1-ligand/Exodus-3 and SLC/6Ckine/TCA4/Exodus-2. SDF-1 chemotaxes CFU-GM, CFU-G, CFU-M, BFU-E, CFU-GEMM, and earlier cells. We have shown that CKβ-11 and SLC preferentially chemotax M-CSF-responsive CFU-M (Kim et al. J Immunol 161:2580,1998; J. Leuk Biol 66:455,1999). To evaluate in vivo activities of CKβ-11, we produced transgenic mice in which the CKβ-11 gene, under an LCK promoter, was over-expressed in lymphoid tissue such as spleen. CFU-GM, BFU-E and CFU-GEMM, responsive in vitro to stimulation with a combination, of growth factors were evaluated for absolute numbers and cycling status in marrow and spleen. While small non-significant decreases were noted in numbers of these progenitors in marrow of transgenic compared to littermate control mice, CFU-GM-type progenitor numbers were significantly increased in spleens of the transgenic mice. These splenic CFU-GM were in rapid cycle (47 ± 2% S-phase) compared to controls (0% S-phase). Splenic BFU-E and CFU-GEMM numbers and cycling status (0% S-phase) were unchanged. To more precisely define the type of progenitor increased in the spleen of CKβ-11 transgenics we evaluated M-CSF-responsive macrophage progenitors (CFU-M) and GM-CSF-responsive CFU-GM. CFU-M, but not CFU-GM, numbers were significantly increased in spleens of CKβ-11 transgenic mice and CFU-M were in rapid cycle (63% S-phase) compared to control mice (0% S-phase). This correlated with a small decrease (20%) in CFU-M levels in the transgenic marrow. Notably, CFU-M in marrow of transgenic mice were in slow cycle (2 ± 2% S-phase) compared to control marrow (34 ± 4% S-phase). These results show that tissue-specific expression of CKβ-11 is coincident with enhanced levels of cycling macrophage progenitors, perhaps through preferential attraction of cycling CFU-M.
Modeling fermentative hydrogen production from sucrose supplemented with dairy manure

Abstract Our previous studies had shown that fermentative hydrogen production from sucrose could be improved with dairy manure as a supplement. In addition to contributing to nearly 10% more hydrogen yield at ambient temperature, dairy manure was shown to be capable of providing the required nutritional needs, buffering capacity, and hydrogen-producing organisms, improving the practical viability of fermentative hydrogen production. In this report, we present a kinetic model for fermentative hydrogen production from sucrose supplemented with dairy manure. This model includes hydrogen production from sucrose as well as from the soluble products hydrolyzed from particulate manure. The integrated model was calibrated using experimental data from one batch reactor and validated with dissolved COD, hydrogen, and volatile fatty acid data from four other reactors. Predictions by this model agreed well with the temporal trends in the experimental data, with r 2 averaging 0.85 for dissolved COD; 0.94 for total COD; 0.84 for hydrogen; 0.84 for acetic acid; and 0.89 for butyric acid; quality of fit in the case of propionic acid was lower with r 2 averaging 0.57.
Use of aides in occupational therapy practice.

Objectives This study examined the use of aides in occupational therapy practice, the supervision and training of aides, and practitioners' attitudes toward the use of aides. Method A questionnaire was mailed to a systematically selected sample of 510 occupational therapists and occupational therapy assistants. The response rate was 74%. Results The use of occupational therapy aides is prevalent in a variety of settings. Forty percent of respondents reported that they currently work with aides, whereas 23% reported that they have never worked with aides. Occupational therapy aides perform a variety of tasks and receive various levels and amounts of supervision and training. Of those respondents who delegated specific skilled tasks to aides, 76% reported daily contact for purposes of supervision and training. Nineteen percent who currently work or have worked with aides reported being in a situation where an ethical issue arose related to aide use. Conclusion On the basis of the data, it is suggested that occupational therapy practitioners would benefit from taking a proactive role in determining how aides can be used to maximize service delivery while maintaining quality services. There also appear to be ethical concerns related to appropriate delegation of tasks to aides and to their supervision and training.
Mechanomyographic and metabolic responses during continuous cycle ergometry at critical power from the 3-min all-out test

There are limited data regarding metabolic responses during continuous exhaustive rides at critical power (CP) from the 3-min all-out test. In addition, no previous studies have examined the mechanomyographic (MMG) responses at CP from the 3-min all-out test. Therefore, this study examined the metabolic and MMG responses during continuous exercise at CP determined from the 3-min all-out test. Nine college-aged females (mean±SD: age 23.0±3.6yrs) performed an incremental test to exhaustion on a cycle ergometer to identify the gas exchange threshold, peak oxygen consumption rate (V˙O2 peak) and heart rate peak (HR peak). The V˙O2, HR, MMG amplitude and mean power frequency (MPF) responses were examined during continuous rides to exhaustion at CP (81±6% peak power). There were significant increases in V˙O2 and HR over time and there was no significant difference between V˙O2 peak and V˙O2 at exhaustion or HR peak and HR at exhaustion. There were, however, no significant changes for MMG amplitude or MPF over time. Therefore, the current findings suggested that the 3-min all-out test overestimated CP and the demarcation between the heavy and severe intensity domains. Specifically, the V˙O2 and HR responses did not reach a steady state and were driven to peak values. Furthermore, the non-significant change in MMG amplitude and MPF were consistent with the responses observed at fatiguing power outputs (i.e., >80% peak power).
A simple form synthesis of linear time-variant digital filter via spectral decomposition of its impulse response

Abstract The paper describes a new technique to synthesize a finite impulse response of linear time-variant (LTV) digital filter. First, a finite impulse response is decomposed into a sum of products of two orthogonal sequences. The direct implementation of the decomposed impulse response leads to the parallel connection of linear time-invariant (LTI) digital filters, followed by time-varying multipliers. A simple filter structure is obtained by properly modifying the sequences to realize the parallel form structure as a cascade connection of first- or second-order recursive LTI filters. The structure is easy to implement on a computer and saves computation time. Numerical examples illustrating the technique are included.
Firm and Product Life Cycles and Firm Survival

On average, roughly 5-10 percent of the firms in a given market leave that market over the span of a single year. At least so data for a broad range of industries in several economies tell us. What is it, other than random shocks, that determines the probability of survival for a firm in a given market? We start by decomposing the forces that affect survival into industry and firm attributes. Industry attributes, we hypothesize, encompass variables that exert their influence both over time and across markets. The variables that operate over time are defined by the life cycle of the industry. Life cycles of the industry affect mainly the characteristics of demand and the rate and form of technical change. Variations across firms, we hypothesize, arise mainly from learning-by-doing, Darwinian survival of the fittest, and the obsolescence of initial endowments. These variables are linked to the life cycle of the firm. How these industry and firm life cycles define patterns of survival is the story
Aspartate transcarbamylase (ATCase) of Escherichia coli: a new crystalline R-state bound to PALA, or to product analogues citrate and phosphate.

Structures of the R-state of Escherichia coli ATCase maintained with carbamyl phosphate and succinate, phosphonoacetamide and malonate, or N-phosphonacetyl-L-aspartate (PALA) have previously been made in the space group P321, in which the two independent r (regulatory) and two independent c (catalytic) chains are repeated by crystallographic symmetry to yield the holoenzyme c 6 r 6 , ((c 3 ) 2 (r 2 ) 3 ). The exploration of a new crystalline R-state P2 1 2 1 2 1 was undertaken to examine the c 3 ...c 3 expansion of 11 A in the T-to-R transition, and to further test whether intermolecular contacts influence the binding of PALA. The results show that the expansion along the 3-fold axis is 10 A, and that the binding modes of the six crystallographic independent PALA molecules are virtually identical to one another, and to modes described previously. As further test, the PALA, a bisubstrate analogue, was displaced by citrate and phosphate, where citrate is an analogue of product carbamylaspartate. The results support the conclusions about the binding of the three previously studied analogues, and further support, within about 0.5 A, the structure proposed for the transition state [Gouaux, J. E., Krause, K. L., and Lipscomb, W. N. (1987) Biochem. Biophys. Res. Commun. 142, 893-897; Jin, L., Stec, B., Lipscomb, W. N., and Kantrowitz, E. R. (1999) Proteins: Struct., Funct., Genet. 37, 729-742].
A note on the dynamic response of rigid embedded foundations

SUMMARY The problem of the dynamic response of rigid embedded foundations subjected to the action of external forces and seismic excitation is analysed. It is shown that to calculate the response of rigid embedded foundations, or the response of flat rigid foundations subjected to non-vertically incident seismic waves, it is necessary to obtain not only the impedance matrix for the foundation, but also the forces induced by the incident seismic waves. Under these general conditions, rocking and torsional motion of the foundation is generated in addition to translation. The case of a two-dimensional rigid foundation of semi-elliptical cross-section is used as an example to illustrate the effects of the embedment depth and angle of incidence of the seismic waves on the response of the foundation. The problem of the dynamic response of a rigid foundation embedded in an elastic half-space and subjected to the action of both seismic waves and external forces plays an important role in the study of the soil- structure interaction effects for partially embedded structures. Most present soil-structure interaction studies are based on several simplifying assumptions; namely, the foundation is assumed to be flat, rigid and placed at ground level and the seismic excitation is represented by a vertically incident plane wave.' 3 These assumptions reflect the fact that no general solutions are available for the problem of the dynamic response of embedded foundations. In particular, the assumption of vertically incident seismic waves is introduced to avoid the study of the scattering of the incoming seismic waves by the foundation, whereas the requirement that the foundation is rigid is used to simplify the mathematical description of the coupling between the superstructure and the ground. In practice, however, most structures are partially embedded in the ground and the seismic excitation cannot be described solely on the basis of vertically incident seismic waves. In fact, analysis of strong-motion records has shown that surface waves, i.e. waves that propagate in a horizontal direction, contribute in a significant amount to the earthquake motion recorded at the soil surface.4 There are several qualitative differences between the response of an embedded foundation subjected to non-vertically incident seismic waves and that of a flat foundation excited by vertically incident plane waves. The objective of this note is to analyse these differences and to discuss the effects that these differences may have on the solution of the soil-structure interaction problem.
Effect of carbon on the electrical resistivity and allotropic transformation of thorium

Abstract The effects of carbon on the electrical resistivity, melting temperature and the alpha-beta transformation of thorium were investigated. Particular emphasis was placed on the composition range 0–10 at % (0–0.57 wt %) carbon. High purity fee (alpha) thorium transforms to bcc (beta) thorium at 1350 ± 10° C. Carbon raises the transformation temperature and lowers the melting temperature. An eutectic horizontal at 1720 ± 10° C extends from 4.0 to 8.2 at % carbon and forms the upper temperature boundary for the alpha plus beta phase field. The eutectic composition is approximately 5.1 at % carbon. The room temperature electrical resistivity is strongly dependent on the thermal and mechanical history of the specimen. Cold worked and annealed alloys slowly cooled to room temperature gave resistivity values which can be represented by the relation ϱ = 16.09+4.223 X , where ϱ is in μΩ·cm and X is the carbon content from zero to 4.0 at %. The standard deviation for the intercept at zero carbon content is ± 0.23. The room temperature resistivity of high purity carbon-free thorium is 15.9 ± 0.2, μΩ·cm.
Design of Fluorescent Nanocapsules as Ratiometric Nanothermometers

We have developed a novel design of optical nanothermometers that can measure the surrounding temperature in the range of 20-85 °C. The nanothermometers comprise two organic fluorophores encapsulated in a crosslinked polymethacrylate nanoshell. The role of the nanocapsule shell around the fluorophores is to form a well-defined and stable microenvironment to prevent other factors besides temperature from affecting the dyes' fluorescence. The two fluorophores feature different temperature-dependent emission profiles; a fluorophore with relatively insensitive fluorescence (rhodamine 640) serves as a reference whereas a sensitive fluorophore (indocyanine green) serves as a sensor. The sensitivity of the nanothermometers depends on the type of nanocapsule-forming lipid and is affected by the phase transition temperature. Both the fluorescence intensity and the fluorescence lifetime can be utilized to measure the temperature.
Pavement performance modelling with an auto-regression approach

In this paper, an auto-regression method is applied to pavement performance modelling to improve the predictive accuracy of predictions when there are only limited or incomplete data available. Using age and past measured conditions as independent variables, the average trend within a pavement group is captured by a ‘global’ function shared by all pavements, while any pavement-specific effects are reflected through the past pavement conditions involved in the model. In a case study, different auto-regression models with varying lags are developed based on measured pavement condition data and the predictive accuracy of the models is studied. The models are also compared with the traditional regression models, such as the shifted family curve and individual regression curves. The results show that the predictive accuracy of the auto-regression models generally increases when more lags or past conditions are used. The auto-regression models are able to provide more accurate predictions than other models. It ...
A Transformer-Combined 31.5 dBm Outphasing Power Amplifier in 45 nm LP CMOS With Dynamic Power Control for Back-Off Power Efficiency Enhancement

A transformer-combined fully integrated outphasing class-D PA in 45 nm LP CMOS achieves 31.5 dBm peak output power at 2.4 GHz with 27% peak PAE, and supports over 86 dB of output power range. The PA employs dynamic power control (DPC) whereby sections of the PA are turned on or off dynamically according to the instantaneous signal amplitude to reduce power dissipation, especially at back-off. Dynamic on-off switching introduces transients on the power supply that can limit performance. The paper proposes and demonstrates techniques to reduce the impact of such transients. A multi-section slab inductor based transformer combiner is used to allow individual switching of unit PAs. The PA delivers 24.8 dBm average power while meeting 64-QAM WLAN requirements. PAE is 16% when using DPC, which represents a 33% efficiency enhancement compared to the DPC-disabled mode. At lower average power of 20.5 dBm, DPC enables a 140% enhancement in average efficiency, hence increasing battery life.
Fine Structure of Granulation Tissues from Deep Injury

Granulation tissues from a group of severely burned children aged 1 mo to 16yr were obtained for study by transmission electron microscopy. Fine structural Characteristics were evaluated in the context of their possible significance to subsequent hypertrophic scarring. Microvessels often show the products of a thrombus. Some small vessels are occluded and are usually seen in the older granulations. Endothelial and perivascular satellite cells contain prominent amounts of rough endoplasmic reticulum, few mitochondria but even less of other organelles. Around all vessels are multiple layers of basal lamina. Fibrin is found in all of the granulations from 13 days to 6½ mo postinjury. It is seen intraluminally and interstitially. Although in the younger granulations a few fibrin fragments appear "sticking" to occasional macrophages, neutrophils or fibroblasts there is no evidence of a massive clearance mechanism. Fibroblast type cells demonstrate morphology which may be predominantly vesicular, granular, or organeller. Myofibroblasts are abundant and virtually all exhibit microtendons. The significance of the persistent and pervasive fibrin in a deep injury to probable development of subsequent hypertrophic scarring may lie in promoting endothelial cell proliferation which would occlude the microvessels. Occlusion would then produce hypoxia which, in turn, would stimulate excessive, fibroblast proliferation and overproduction of collagen and certain mucopolysaccharides.
Practical implementation and remaining problems for the film linearized muffin-tin orbital calculation of surface electronic structure

We describe the details of implementation of the film linearized muffin-tin orbital method of Krakauer and Cooper [Phys. Rev. B 16, 605 (1977)] for slab geometries. Using the constrained wave functions as described by Krakauer and Cooper, we get consistently good results except for the work function. We describe an alternate method that we have also implemented to improve the work function. This discards the plane-wave orbitals while striving to improve the quality of the basis functions for describing the vacuum behavior without increase in matrix sizes. We find the quality of results poorer; therefore, in Appendix A, we suggest a way of increasing the variational freedom by removing the constraint on the plane-wave orbitals. We report on our investigations on the stability of the results with respect to variations in the most sensitive energy parameters that appear in the theory, and the effect on the results of various shaping approximations on the charge density and on the potential. We find that because of the small matrix sizes, diagonalization times are an insignificant portion of the total running time for a complete iteration. This total time per iteration is only slightly faster (by a factor of 1.6) than a corresponding linearized augmented-plane-wave iteration. However, because the small matrix sizes imply memory requirements which are smaller than those of other methods currently in use, systems with a greater number of atoms in the unit cell may be studied (for a given computer) than with those methods.
Prolactin and Cortisol Responses to MK-212, a Serotonin Agonist, in Obsessive-Compulsive Disorder

• To examine further the serotoninergic system in obsessivecompulsive disorder (OCD), the plasma concentrations of cortisol and prolactin and the behavioral responses after oral administration of MK-212 (6-chloro-2-[1-piperazinyl]-pyrazine), a serotonin agonist, and placebo were studied in 17 patients with OCD and nine normal controls. The two groups did not differ significantly in basal plasma prolactin or cortisol levels. Nevertheless, both the prolactin and cortisol response to oral administration of MK-212 (20 mg) were significantly blunted in the patients with OCD compared with those of the normal controls. MK-212 did not affect the intensity of OCD symptoms. However, MK-212, as compared with placebo, produced slight but statistically significant increases in self-ratings of nausea, dizziness, anxiety, feeling strange, and mixed feelings of calmness and restlessness, as well as depression and feeling high. These behavioral ratings were not significantly different in patients and normal controls. These findings are consistent with previous reports of diminished serotoninergic responsivity in OCD and raise the possibility of subsensitivity of at least some serotonin receptors in this disorder.
Fitness cost, gyrB mutation, and absence of phosphotransferase system fructose specific IIABC component in novobiocin-resistant Streptococcus iniae vaccine strain ISNO

Abstract To understand the fitness cost of novobiocin-resistance in an attenuated Streptococcus iniae vaccine strain ISNO compared to its virulent parent strain ISET0901, cell proliferation rate of the two strains were compared to each other. Our results revealed that the cell proliferation rates of ISNO were significantly ( P gyrB ) was sequenced from both strains. Sequencing results revealed a point mutation of AGA to AGC, resulting in a deduced amino acid substitution of R635S. To determine whether any unique DNA sequence was present in ISET0901 but absent in ISNO, PCR-select bacterial genome subtractive hybridization was performed. A phosphotransferase system fructose specific IIABC component sequence was confirmed to be present in ISET0901 but absent in ISNO. Using genomic DNAs from ten field-strains of S. iniae as templates, the phosphotransferase system fructose specific IIABC component sequence was found to be present in five highly virulent strains, but absent in five avirulent strains. Taken together, our results suggest that: (1) As fitness cost of novobicin resistance, ISNO had significantly smaller cell proliferation rate; (2) point mutation at target site gyrB resulting in R635S substitution was associated with novobiocin resistance in ISNO; and (3) phosphotransferase system fructose specific IIABC component was associated with virulence of S. iniae .
The transference theory of causation

Traditional Humean and Neo-Humean accounts of causation have ceased to enjoy general acceptance. An alternative theory which has gained recent adherents is perhaps best referred to as "transference theory". Jerrold Aronson in 'On the Grammar of 'Cause" and David Fair in 'Causation and the Flow of Energy' provide the most detailed and reasoned presentations of this view.1 As will be seen, Fair's account marks a revised and weakened version of Aronson's analysis. Here I argue that transference theory, in whichever form, does not provide an adequate account of causation. Central to Aronson's account of causation is the notion of "trans ference of some quantity (energy, etc.) from cause-object to effect object." The following three necessary conditions (presumably jointly sufficient) for the truth of "A causes B" are presented:
Leadership Since 1975: Advancement or Inertia?

This paper discusses advancements in three areas of leadership theorizing (trait, situational, and situational contingency approaches) since 1975, and identifies several major approaches to leaders...
HIGH ORDER ABERRATIONS FOR ION ORBITS IN STATIC MAGNETIC FIELDS.

Abstract It is shown that the Nth order aberrations for ions in paraxial orbits in static magnetic fields can be systematically calculated via quadratures. The computation scheme is quite general, the only limitation being that the fields must satisfy some (not very) restrictive conditions.
Short, enantioselective synthesis of (−)-retigeranc acid via [2+3] annulation

Abstract The total synthesis of retigeranic acid 1 was achieved in 14 steps from menthene. The key features involved the vinylcyclopropanation of enone 6 with the dienolate anion of 5 to furnish vinylcyclopropane 4 and its rearrangement to pentacycle 3 in an overall [2+3] cyclopentene annulation sequence.
Effect of heavy metals on the uptake of [3H]-L-histidine by the polychaete Nereis succinea.

Integumentary uptake of [3H]-L-histidine by Nereis succinea was measured in the presence and absence of selected heavy metals and the amino acid L-leucine in 60% artificial seawater (ASW). The time course of 10 microM [3H]-L-histidine uptake into worms over a 60 min incubation was approximately doubled in the presence of 0.5 microM zinc and when calcium in the incubation medium was reduced from 6 mM to 5 microM the stimulatory effect of zinc on amino acid accumulation was reduced and uptake under the latter conditions was approximately half that of the control. Zinc stimulation of [3H]-L-histidine influx was a hyperbolic function of zinc concentration over the range 0 to 50 microM metal and displayed an apparent activation or affinity constant of 385+/-127 nM Zn(2+). The hyperbolic stimulatory effect of 1 microM Zn(2+) on the time course of 10 microM [3H]-L-histidine uptake was abolished in the presence of 25 microM L-leucine, suggesting that this amino acid shared the same transport system as [3H]-L-histidine and acted as a potential competitive inhibitor. Influx of [3H]-L-histidine was a hyperbolic function of external amino acid concentration and displayed an apparent affinity constant (Km) of 23.71+/-5.02 microM and an apparent aximal velocity (J(max)) of 4701+/-449 pmol/g dry wt.x15 min. Addition of 0.5 microM zinc resulted in a four-fold increase in J(max) and a doubling of K(m), suggesting the effect of the metal was mostly on the rate of amino acid transport. [3H]-L-histidine influx was mildly stimulated by Fe(2+) (0.5 microM), but was unaffected by either Ag(+) or Al(3+) (both at 0.5 microM). These results suggest that [3H]-L-histidine uptake into worm integument may take place by the classical Na(+)-independent L-transport system shared by L-leucine and regulated by exogenous calcium and other divalent metal concentrations.
The distribution of fitness effects of new beneficial mutations in Pseudomonas fluorescens.

Theoretical studies of adaptation emphasize the importance of understanding the distribution of fitness effects (DFE) of new mutations. We report the isolation of 100 adaptive mutants—without the biasing influence of natural selection—from an ancestral genotype whose fitness in the niche occupied by the derived type is extremely low. The fitness of each derived genotype was determined relative to a single reference type and the fitness effects found to conform to a normal distribution. When fitness was measured in a different environment, the rank order changed, but not the shape of the distribution. We argue that, even with detailed knowledge of the genetic architecture underpinning the adaptive types (as is the case here), the DFEs remain unpredictable, and we discuss the possibility that general explanations for the shape of the DFE might not be possible in the absence of organism-specific biological details.
Reductive isolation from bone marrow and blood implicates common lymphoid progenitors as the major source of thymopoiesis

Ongoing thymopoiesis requires continual seeding from progenitors that reside within the bone marrow (BM), but the identity of the most proximate prethymocytes has remained controversial. Here we take a comprehensive approach to prospectively identify the major source of thymocyte progenitors that reside within the BM and blood, and find that all thymocyte progenitor activity resides within a rare Flk2+CD27+ population. The BM Flk2+CD27+ subset is predominantly composed of common lymphoid progenitors (CLPs) and multipotent progenitors. Of these 2 populations, only CLPs reconstitute thymopoiesis rapidly after intravenous injection. In contrast, multipotent progenitor-derived cells reconstitute the thymus with delayed kinetics only after they have reseeded the BM, self-renewed, and generated CLPs. These results identify CLPs as the major source of thymocyte progenitors within the BM.
Voltammetry at 115-180 K for Self-Assembled Ferrocene-Tagged Alkanethiol Monolayers on Gold and Silver Electrodes in Butyronitrile/ethyl Chloride Solvent

We report cyclic voltammetry from 115 to 180 K in butyronitrile/ethyl chloride solvent for monolayer films of ferrocene-terminated alkanethiols chemisorbed on gold electrode surfaces. The alkyl spacers between thiol and ferrocene contained 4, 8, and 12 methylene units, and the ferrocene moieties were diluted with alkanethiols of equal chain length during self-assembled of the monomolecular films onto the gold electrodes. The self-assembled ferrocene films display highly stable voltammetry at low temperatures
Neighborhood context and immigrant children's physical activity

Physical activity is an important determinant of obesity and overall health for children, but significant race/ethnic and nativity disparities exist in the amount of physical activity that children receive, with immigrant children particularly at risk for low levels of physical activity. In this paper, we examine and compare patterns in physical activity levels for young children of U.S.-born and immigrant mothers from seven race/ethnic and nativity groups, and test whether physical activity is associated with subjective (parent-reported) and objective (U.S. Census) neighborhood measures. The neighborhood measures include parental-reported perceptions of safety and physical and social disorder and objectively defined neighborhood socioeconomic disadvantage and immigrant concentration. Using restricted, geo-coded Early Childhood Longitudinal Study-Kindergarten (ECLS-K) data (N = 17,510) from 1998 to 1999 linked with U.S. Census 2000 data for the children's neighborhoods, we utilize zero-inflated Poisson (ZIP) models to predict the odds of physical inactivity and expected days of physical activity for kindergarten-aged children. Across both outcomes, foreign-born children have lower levels of physical activity compared to U.S.-born white children. This disparity is not attenuated by a child's socioeconomic, family, or neighborhood characteristics. Physical and social disorder is associated with higher odds of physical inactivity, while perceptions of neighborhood safety are associated with increased expected days of physical activity, but not with inactivity. Immigrant concentration is negatively associated with both physical activity outcomes, but its impact on the probability of physical inactivity differs by the child's race/ethnic and nativity group, such that it is particularly detrimental for U.S.-born white children's physical activity. Research interested in improving the physical activity patterns of minority and second-generation immigrant children should consider how neighborhood context differentially impacts the health and physical activity of children from various racial, ethnic and nativity backgrounds.
Use of natural upper anterior teeth in complete dentures

Abstract A procedure for using natural upper anterior teeth in the construction of complete dentures has been outlined. Natural teeth will retain their hue and strength for a sufficient period of time to make their use practical in some instances. Some patients are receptive to use of their own natural teeth in dentures. Their use seems to benefit the patient's mental attitude toward wearing complete dentures.
Nonmuscle myosin II regulation of lung epithelial morphology.

Background: The regulation of epithelial cell shape and orientation during lung branching morphogenesis is not clearly understood. Nonmuscle myosins regulate cell size, morphology, and planar cell polarity. Here, we test the hypothesis that nonmuscle myosin II (NM II) regulates lung epithelial morphology in a spatially restricted manner. Results: Epithelial cell orientation at airway tips in fetal mouse lungs underwent a significant transformation at embryonic day (E) E17. Treatment of E15 lung explants with the NM II inhibitor blebbistatin increased airway branching, epithelial cell size, and the degree of anisotropy in epithelial cells lining the airway stalks. In cultured MLE-12 lung epithelial cells, blebbistatin increased cell velocity, but left the migratory response to FGF-10 unchanged. Conclusions: In the developing lung, NM II acts to constrain cell morphology and orientation, but may be suppressed at sites of branching and cell migration. The regulation of epithelial orientation may therefore undergo dynamic variations from E15 to E17. Developmental Dynamics, 2012. © 2012 Wiley Periodicals, Inc.
Prejunctional prostaglandin receptors in the human iris-ciliary body

Prostaglandins (PGs) of the E series have been shown to modulate sympathetic neurotransmitter release in a variety of peripheral tissues and organs, including the eye. In this study, we evaluated the inhibitory effects of a series of naturally-occurring and synthetic PGs on field stimulation-evoked release of 3H-norepinephrine (3H-NE) from isolated, superfused segments of human iris-ciliary body. Field-stimulated 3H-NE secretion was calcium-dependent, blocked by selective inhibitors of voltage-sensitive calcium and sodium channels, and originated from a desipramine-sensitive transmitter pool. Evoked 3H-NE release was inhibited in a concentration-dependent manner by PGE2 (EC50 = 45 nM) and several closely related compounds with the following rank order of potency: sulprostone greater than 16,16-dimethyl-PGE2 greater than PGE2 greater than 11-deoxy-PGE1. By contrast, PGF2 alpha was relatively inactive (EC50 greater than 10 microM) in this system. None of the above compounds significantly modified spontaneous 3H-NE efflux. PGE2-mediated inhibition was not antagonized by the selective prostanoid EP1-receptor antagonists AH 6809 (10 microM) or SC-19220 (30 microM), nor did these agents alone affect basal or field-stimulated 3H-NE release. The results suggest that human ocular sympathetic nerves possess inhibitory PG receptors which have the pharmacological properties of the EP3 subtype. These receptors may play a role in local feedback regulation of sympathetic transmission in the iris-ciliary body, and may contribute to symptoms of acute ocular inflammation, including vasodilation, miosis and hypotony.
Identifying positions from affiliation networks: Preserving the duality of people and events

Abstract Frank's [Frank, K.A., 1995. Identifying cohesive subgroups. Social Networks 17, 27–56] clustering technique for one-mode social network data is adapted to identify positions in affiliation networks by drawing on recent extensions of p* models to two-mode data. The algorithm is applied to the classic Deep South data on southern women and the social events in which they participated with results comparable to other algorithms. Monte Carlo simulations are used to generate sampling distributions to test for the presence of clustering in new data sets and to evaluate the performance of the algorithm. The algorithm and simulation results are then applied to high school students’ transcripts from one school from the Adolescent Health and Academic Achievement (AHAA) extension of the National Longitudinal Study of Adolescent Health.