cssi/SciSciGPT-SciSciNet huggingface dataset:
When Safety Event Reporting Is Seen as Punitive: "I've Been PSN-ed!"

Study objective Reporting systems are designed to identify patient care issues so changes can be made to improve safety. However, a culture of blame discourages event reporting, and reporting seen as punitive can inhibit individual and system performance in patient safety. This study aimed to determine the frequency and factors related to punitive patient safety event report submissions, referred to as Patient Safety Net reports, or PSNs. Methods Three subject matter experts reviewed 513 PSNs submitted between January and June 2019. If the PSN was perceived as blaming an individual, it was coded as punitive. The experts had high agreement (κ=0.84 to 0.92), and identified relationships between PSN characteristics and punitive reporting were described. Results A total of 25% of PSNs were punitive, 7% were unclear, and 68% were designated nonpunitive. Punitive (vs nonpunitive) PSNs more likely focused on communication (41% vs 13%), employee behavior (38% vs 2%), and patient assessment issues (17% vs 4%). Nonpunitive (vs punitive) PSNs were more likely for equipment (19% vs 4%) and patient or family behavior issues (8% vs 2%). Punitive (vs nonpunitive) PSNs were more common with adverse reactions or complications (21% vs 10%), communication failures (25% vs 16%), and noncategorized events (19% vs 8%), and nonpunitive (vs punitive) PSNs were more frequent in falls (5% vs 0%) and radiology or laboratory events (17% vs 7%). Conclusion Punitive reports have important implications for reporting systems because they may reflect a culture of blame and a failure to recognize system influences on behaviors. Nonpunitive wording better identifies factors contributing to safety concerns. Reporting systems should focus on patient outcomes and learning from systems issues, not blaming individuals.
Is average club head speed a risk factor for lower back injuries in professional golfers? A retrospective case control study.

Our hypothesis was that higher average club head speed is correlated with lower back injuries in professional golfers.This was a retrospective case control study of male professional golfers who su...
Planting gardens: Mesopotamian influence on a Hebrew trope in Jeremiah 29:

The version of the ‘building and planting’ conceptual pair found in Jeremiah 29:5 differs from the standard trope used elsewhere within the Hebrew Bible; it is the only example in which the object ...
Site-Competition Epitaxy for N-Type and P-Type Dopant Control in CVD Sic Epilayers

The use of site-competition epitaxy, which is based on intentional variation of the Si/C ratio during epitaxy, has now been reproduced in numerous national and international laboratories. However, previous reports have only considered dopant incorporation control for epitaxy on the Si-face 6H-SiC(OOO1) substrates. Presented in this paper is the extension of this technique for control of phosphorous incorporation and also a comparison of controlled doping on C-face 6H-SiC(OOO1) versus Si-face 6H-SiC(OOO1) substrates for aluminum, boron, nitrogen, and phosphorous.
Developing the next generation of social work activists: Support for eliminating the micro–macro divide

Social action is an ethical mandate, but the literature suggests that social work’s engagement in activities that remedy systemic social injustices have been inadequate. This study examined the soc...
Pricing Residential Electricity Based on Individual Consumption Behaviors

The conventional practice of retail electric utilities is to aggregate customers geographically. The utility purchases electricity for its customers via bulk transactions on the wholesale market, and it passes these costs along to its customers, the end consumers, through their rate plan. Typically, all residential consumers are offered the same per unit rate plan, which leads to cost sharing. Some consumers use their electricity at peak hours, when it is more expensive on the wholesale market, and others consume mostly at off peak hours, when it is cheaper, but they all enjoy the same per unit rate through their utility. This paper proposed a method for the utility to segment a population of consumers on the basis of their individual consumption patterns. An optimal recruitment algorithm was developed to aggregate consumers into groups with a relatively low per unit cost of electricity on the wholesale market. It was then proposed that the utility should group together enough consumers to ensure an adequately low forecast error, which is related to risks it faces in wholesale market transactions. Finally, it was shown that by repeated application of this process, the utility could segment the entire population into groups and offer them differentiated rate plans based on their actual consumption behavior. These groupings are stable in the sense that no one consumer can unilaterally improve her outcome.
Ultraviolet (UV) Raman spectroscopy study of the Soret effect in high-pressure CO2-water solutions.

Spatially resolved deep-ultraviolet (UV) Raman spectroscopy was applied to solutions of CO2 and H2O or D2O subject to a temperature gradient in a thermally regulated high-pressure concentric-tube Raman cell in an attempt to measure a Soret effect in the vicinity of the critical point of CO2. Although Raman spectra of solutions of CO2 dissolved in D2O, at 10 MPa and temperatures near the critical point of CO2, had adequate signal-to-noise and spatial resolution to observe a Soret effect with a Soret coefficient with magnitude |ST| > 0.03, no evidence for an effect of this size was obtained for applied temperature gradients up to 19 °C. In contrast, the concentration of CO2 dissolved in H2O was shown to vary significantly across the temperature gradient when excess CO2 was present, but the results could be explained simply by the variation in CO2 solubility over the temperature range and not by kinetic factors. For mixtures of D2O dissolved in scCO2 at 10 MPa and temperatures close to the critical point of CO2, the Raman peaks for D2O were too weak to measure with confidence even at the limit of D2O solubility.
Diffraction-Limited Molecular Cluster Quantification with Bayesian Nonparametrics

Life9s fundamental processes involve multiple molecules operating in close proximity within cells.To probe the composition and kinetics of molecular clusters confined within small (diffraction-limited) regions, experiments often report on the total fluorescence intensity simultaneously emitted from labeled molecules confined to such regions. Methods exist to enumerate total fluorophore numbers (e.g.,step counting by photobleaching). However, methods aimed at step counting by photobleaching cannottreat photophysical dynamics in counting nor learn their associated kinetic rates. Here we propose a method to simultaneously enumerate fluorophores and determine their individual photophysical state trajectories. As the number of active (fluorescent) molecules at any given time is unknown, we rely on Bayesian nonparametrics and use specialized Monte Carlo algorithms to derive our estimates. Our formulation is benchmarked on synthetic and real data sets. While our focus here is on photophysical dynamics (in which labels transition between active and inactive states), such dynamics can also serve as a proxy for other types of dynamics such as assembly and disassembly kinetics of clusters. Similarly, while we focus on the case where all labels are initially fluorescent, other regimes, more appropriate to photoactivated localization microscopy, where fluorophores are instantiated in a non-fluorescent state, fall within the scope of the framework. As such, we provide a complete and versatile framework for the interpretation of complex time traces arising from the simultaneous activity of up to 100 fluorophores.
The Role of Mammalian Sirtuins in the Regulation of Metabolism, Aging, and Longevity

Ever since the discovery of sirtuins a decade ago, interest in this family of NAD-dependent deacetylases has exploded, generating multiple lines of evidence implicating sirtuins as evolutionarily conserved regulators of lifespan. In mammals, it has been established that sirtuins regulate physiological responses to metabolism and stress, two key factors that affect the process of aging. Further investigation into the intimate connection among sirtuins, metabolism, and aging has implicated the activation of SIRT1 as both preventative and therapeutic measures against multiple age-associated disorders including type 2 diabetes and Alzheimer’s disease. SIRT1 activation has clear potential to not only prevent age-associated diseases but also to extend healthspan and perhaps lifespan. Sirtuin activating compounds and NAD intermediates are two promising ways to achieve these elusive goals.
Modeling, design and demonstration of integrated electromagnetic shielding for miniaturized RF SOP glass packages

This paper demonstrates, for the first time, an integrated trench-based shielding for electromagnetic interference (EMI) isolation between components in an ultra-miniaturized radio frequency (RF) package. A novel component-level shielding structure is explored and developed using metallized trenches formed in the build-up layers of ultra-thin glass substrates. Through full-wave electromagnetic (EM) simulation, the coupling between different passive structures are compared. Additionally, the shielding effectiveness of trench-based structures are compared with traditional via-based shields. Further, the shield effectiveness of different magnetic and non-magnetic shield materials are compared through analytical modeling. Based on these modeling results, a representative shield structure is designed, fabricated and characterized to correlate its performance with simulations. It is observed through measurements, that package-integrated trench-based shields provide up to 25dB more lateral isolation than via-arrays.
Homocitrate Formation in Neurospora crassa RELATION TO LYSINE BIOSYNTHESIS

Abstract Neurospora crassa lysine auxotrophs 33933 and STL-7 which on nutritional grounds are known to be blocked at an early stage of lysine biosynthesis via the aminoadipic acid pathway, were found to accumulate homocitrate and malate plus citrate, respectively. Such accumulations predominate only when these mutants are grown in a medium containing minimal, but not excess, lysine. The acids were isolated by two-phase partition chromatography on silicic acid, and their structures were adduced from appropriate chemical and spectral data. Homocitrate was formed from acetate and α-ketoglutarate under suitable conditions by cell-free extracts of mutant 33933, but such homocitrate-condensing enzyme activity could not be shown in mutant STL-7 under the conditions of assay. Homocitrate-condensing enzyme activity of mutant 33933 extracts was subject to repression and feedback inhibition by lysine. The significance, if any, of malate and citrate accumulation to lysine metabolism in mutant STL-7 remains to be elucidated. This paper extends present knowledge, derived exclusively from studies in yeast, and shows that, in Neurospora, the initial step of lysine biosynthesis is via a homocitrate-condensing enzyme which is under effective end product control by lysine.
Bulk Tunneling Measurements of the Superconducting Energy Gaps of Gallium, Indium, and Aluminum

Since Giaever1 first reported superconductive tunneling into thin films attempts have been made to obtain tunneling data on single-crystal materials. Such data should yield a tremendous amount of information about the anisotropy of the pairing interaction, the Fermi surface, and the phonon spectrum. In other words, almost all of the real, anisotropic electronic properties and the lattice dynamics should be measureable with bulk tunneling. Early progress in performing such experiments was slow, but since the report by Zavaritskii of tunneling into single-crystal tin,2 bulk tunneling has been achieved into single crystals of most elemental superconductors.3 Still the problem remains of obtaining large amounts of data on samples of a desired orientation. In addition, problems of interpretation of the data are now being discussed. The selection rules that determine the portions of the Fermi surface participating in the tunneling process, as well as the role of the barrier in selecting the tunneling direction relative to the sample surface, are not quite clear.4 In this paper we report our progress in making large numbers of acceptable samples, with controlled orientation, and interpreting the tunneling data obtained from them for three superconductors: indium, aluminum, and gallium.
Design and Analysis of Parallel Set-Term Unification

Deterministic, parallel set-term unification algorithms, of which set terms have the commutative and idempotent properties, are lacking. In this paper, we propose a deterministic, parallel set-term unification algorithm which not only computes all generalized ground unifiers of a given pair of set terms without duplicates, but also takes advantages of existing multiprocessor computer systems for computing all these unifiers in parallel. Cost analysis of the proposed algorithm is included.
The Promise and Challenge of the United Nations Convention on the Right of Persons with Disabilities

This article is the first article that was published on the Convention on the Rights of People with Disabilities (CRPD) , after it was adopted by the United Nations on December 13, 2006. The article chronicles the process that lead up to the adoption of the CRPD and discusses the significance of the CRPD, which marks a paradigm shift in international law from a medical model of disability to a human rights model of disability. The article also explores the potential effect of the CRPD on domestic and regional disability laws, with the author concluding that the full effect of the CRPD will depend not only on its relationship to domestic and regional disability laws but also on the will of governments and their citizens to fully implement the CRPD in order to realize its goal of full equality for people with disabilities. This article also serves as the introduction to a Special Issue of the Syracuse Journal of International Law and Commerce, which Professor Kanter edited, and which includes nine articles on the CRPD, including the lead article by Ambassador Donald MacKay who chaired the Ad Hoc Committee, and is credited with the successful resolution of Convention negotiation and drafting process. The articles that are included in this Special Issue do not discuss all the various provisions of the Convention, nor do they present the diverse viewpoints on the Convention. They do, however, present various perspectives on how the Convention may relate to regional and domestic disability laws and practices as well as its potential for changing the way people with disabilities may live throughout the world. It is the hope that this Special Issue — the first such issue to be published since the adoption of the Disability Convention — will introduce to its readers the many issues that will need to be resolved as the Convention moves towards ratification and implementation in various countries around the world as well as those issues left unresolved and are in need for further research and advocacy. To help with this effort, the final article in the issue is a comprehensive guide of international and comparative disability law sources prepared by Professor Kanter and Wendy Scott, Assistant Director for Faculty & Outreach Services of the H. Douglas Barclay Law Library, at the Syracuse University College of Law, and which is posted on the Syracuse University College of Law website.
Understanding Corporate Sponsorships: Moving from a $100 Ad Purchase to a $1,000 Sponsorship Agreement

A corporate sponsorship program, built on an appropriate knowledge base, can help bridge the funding gap that exists in interscholastic athletics between the cost of fielding teams and decreasing budget allocations. This article describes sponsorship in its most effective form as a business concept, the value that athletic departments provide to sponsors, and what prospective sponsors want and need from sponsorship agreements.
Influence Strategies in Organizational Buying

This research investigated a model of individual influence in organizational buying decisions that is based on social network concepts. The model hypothesizes that buying center members' decision specific influence can be explained by their personal network of relationships through which they can access needed resources, and by gatekeeping and/or advocacy behaviors. Network data were collected from members of four buying centers and analyzed using Partial Least Squares causal modeling technique. The results suggest that influential buying center members do engage in advocacy and gatekeeping behaviors. Further, they suggest that being centrally and widely connected throughout the organization enables a buying center member to access needed resources for effective influence attempts, such as support and information. Finally, they provide further evidence of the efficacy of structural explanations for business-to-business marketing problems.
Thermal Ion Drifts in the Dayside High-Latitude Ionosphere

Observations of the ionospheric flow at high latitudes include not only the response of the plasma to imposed electric fields but also the response due to temporal variations in the configuration of the convection pattern. These two factors combine in different ways depending on the nature of the polar cap boundary and several interpretive problems result. Here we illustrate these problems utilizing the presently available models of ionospheric convection and different sources of data. A time variability in the ionospheric convection pattern is an essential element to be included in data interpretation but the nature of the time variation is not uniquely exposed in presently available data. The deficiencies in data interpretation are discussed together with properties of the data that may help to resolve some of the problems.
Fast and stable redox reactions of MnO2/CNT hybrid electrodes for dynamically stretchable pseudocapacitors

Pseudocapacitors, which are energy storage devices that take advantage of redox reactions to store electricity, have a different charge storage mechanism compared to lithium-ion batteries (LIBs) and electric double-layer capacitors (EDLCs), and they could realize further gains if they were used as stretchable power sources. The realization of dynamically stretchable pseudocapacitors and understanding of the underlying fundamentals of their mechanical–electrochemical relationship have become indispensable. We report herein the electrochemical performance of dynamically stretchable pseudocapacitors using buckled MnO2/CNT hybrid electrodes. The extremely small relaxation time constant of less than 0.15 s indicates a fast redox reaction at the MnO2/CNT hybrid electrodes, securing a stable electrochemical performance for the dynamically stretchable pseudocapacitors. This finding and the fundamental understanding gained from the pseudo-capacitive behavior coupled with mechanical deformation under a dynamic stretching mode would provide guidance to further improve their overall performance including a higher power density than LIBs, a higher energy density than EDLCs, and a long-life cycling stability. Most importantly, these results will potentially accelerate the applications of stretchable pseudocapacitors for flexible and biomedical electronics.
Clinical and Financial Impact of Ordering an Echocardiogram in Children with Left Axis Deviation on Their Electrocardiogram.

Objective Left axis deviation (LAD) on the electrocardiogram (ECG) is associated with congenital heart disease (CHD), prompting the clinician to order further testing when evaluating a patient with this finding. The purpose is to (1) compare the physical examination (PE) by a pediatric cardiologist to echocardiogram (ECHO) findings in patients with LAD on resting ECG and (2) assess cost of performing ECHO on all patients with LAD on ECG. Design An IRB approved, retrospective cohort study was performed on patients with LAD (QRS axis ≥0° to −90°) on ECG between 01/02 and 12/12. Inclusion criteria: age >0.25 and <18 years, non-postoperative, and PE and ECHO by pediatric cardiologist. A decision tree model analyzed cost of ECHO in patients with LAD and normal/abnormal PE. Cost of complete ECHO ($239.00) was obtained from 2014 Medicare reimbursement rates. Results A total of 146 patients met inclusion criteria with 46.5% (68) having normal PE and ECHO, 1.4% (2) having normal PE and abnormal ECHO, 47.3% (69) having abnormal PE and ECHO, and 4.8% (7) having an abnormal PE and normal ECHO. Sensitivity and specificity of PE for detecting abnormalities in this population was 97% and 90%. Positive and negative predictive value of PE was 91% and 97.5%. In patients with normal PE, the cost to identify an ECHO abnormality was $8365, and $263 for those with abnormal PE. Conclusion In presence of LAD on ECG, the sensitivity, specificity, and positive and negative predictive values of PE by a pediatric cardiologist are excellent at identifying CHD. Performing an ECHO on patients with LAD on ECG is only cost effective in the presence of an abnormal PE. In the presence of normal PE, there is a possibility of missing incidental structural cardiac disease in approximately 2% if an ECHO is not performed.
Identification and localization of muscarinic acetylcholine receptor proteins in brain with subtype-specific antibodies

mRNAs encoding five genetically distinct muscarinic ACh receptors are present in the CNS. Because of their pharmacological similarities, it has not been possible to detect the individual encoded proteins; thus, their physiological functions are not well defined. To characterize the family of proteins, a panel of subtype-selective antibodies was generated against recombinant muscarinic receptor proteins and shown to bind specifically to each of the cloned receptors. Using immunoprecipitation, three receptor proteins (m1, m2, and m4) accounted for the vast majority of the total solubilized muscarinic binding sites in rat brain. These receptor subtypes had marked differences in regional and cellular localization as shown by immunocytochemistry. The m1-protein was present in cortex and striatum and was localized to cell bodies and neurites, consistent with its role as a major postsynaptic muscarinic receptor. The m2-receptor protein was abundant in basal forebrain, scattered striatal neurons, mesopontine tegmentum, and cranial motor nuclei; this distribution is similar to that of cholinergic neurons and suggests that m2 is an autoreceptor. However, m2 was also present in noncholinergic cortical and subcortical structures, providing evidence that this subtype may presynaptically modulate release of other neurotransmitters and/or function postsynaptically. The m4-receptor was enriched in neostriatum, olfactory tubercle, and islands of Calleja, indicating an important role in extrapyramidal function. These results clarify the roles of these genetically defined receptor proteins in cholinergic transmission in brain.(ABSTRACT TRUNCATED AT 250 WORDS)
A histone octamer-like structure within TFIID

THE general transcription factor TFIID nucleates initiation complex formation through direct core promoter binding1,2, commits promoters within chromatin to transcription3, and mediates the action of transcriptional activators, a phenomenon that may correlate with enhanced TFIID recruitment4–7 or conformational changes in TFIID-promoter complexes8,9. Molecular studies of the multiprotein TFIID complex have identified a primary TATA binding subunit (TBP)2, TBP-associated factors (TAFs) that interact with and mediate the function of activators2,7,10,11 and intersubunit interactions2 but have yielded relatively little insight into the structural organization of the complex or the actual mechanism of transcriptional activation. Here we present biochemical evidence for the structural relevance of histone homo-logies in the human TFIID subunits hTAFSO, hTAF31 and hTAF20/15. Together with analyses of native TFIID complexes and accompanying crystallographic studies12, the results suggest that there is a histone octamer-like TAF complex within TFIID.
Characterizing and suppressing multi-pulsing instabilities in mode-locked lasers

The onset of multi-pulsing, a ubiquitous phenomenon in laser cavities, imposes a fundamental limit on the maximum energy delivered per pulse. Managing the nonlinear penalties in the cavity becomes crucial for increasing the energy and suppressing the multi-pulsing instability. A Proper Orthogonal Decomposition (POD) allows for the reduction of governing equations of a mode-locked laser onto a low-dimensional space. The resulting reduced system is able to capture correctly the experimentally observed pulse transitions. Analysis of these models is used to explain the the sequence of bifurcations that are responsible for the multi-pulsing instability in the master mode-locking and the waveguide array mode-locking models. As a result, the POD reduction allows for simple and efficient way to characterize and optimize the cavity parameters for achieving maximal energy output.
Changing pattern of U.S.-Latin American trade

This paper studies U.S.-Latin American (L.A.) trade flow trends for the period 196785. To analyze the trade trends, standard trend equations of the form l n X = a + bt, where X = value of exports, t = time, were used for the 10 categories of the SITC one digit classification. Since the period covered by the data includes the 1980's crisis, it was considered appropriate to estimate trends for the 196785 period as a whole and for the 1967-80 subperiod. Another estimation for the whole period, including a dummy variable for the 1981-85 years was also made. Since the trade flows between some individual countries and the U.S. are of particular importance, and since the policies and performance of these countries varied substantially, the same trend equa t ions w e r e e s t ima ted for the U.S., -Mexico, -Argentina, -Brazil, and -Rest of Latin American (ROLA) trade flows. It appears that between 1967-85, the rate of growth of U.S. imports from L.A. outpaced exports, with imports growing at a 9.5 percent annual rate compared to a 6.4 percent rate of g rowth for exports . U.S. expor ts to L.A. declined significantly in the 1980's, while imports remained robust. This appears to be the result of, first, the drop of L.A.'s capacity to import as a result of the debt crisis, and second, the impact of an increasingly overvalued dollar on U.S. exports causing a general decline in international competitiveness of U.S. exports. U.S. exports to L.A. appear to have grown mostly in agricultural and national resource-based products, while U.S. imports from L.A~ grew faster in manufactured goods. In the 1980's, the U.S. was experiencing a general decline in international competitiveness in its traditional expor t sectors and L.A. was developing comparative advantages in non-traditional sectors. While trade flows in both directions have been cyclical, U.S. exports have been more cyclical than imports--implying that domestic economic factors in L.A. might be more of a factor in this trade relationship than U.S. domestic economic variables. The more disaggregated the trade data, the more volatile are the trade flows in both directions, with U.S. exports always more volatile than imports. The data revealed two major inflexion points in the U.S.-L.A. trade flows associated with the years 1973-74 and 1980-81. In addition, another inflexion point emerged for 1969 relating to U.S. imports. U.S. trade with LA. expanded throughout the 1967-85 period, with the greatest expansion being with ROLA and Mexico, respectively. Remarkably, U.S. imports from ROLA and Mexico have grown at a faster rate than those from Brazil, the acknowledged L.A. e x p o r t leader. 1976 emerged as a fourth inflexion point in the U.S.-Argentina trade relationship, with Argentine domestic factors appearing as the main determinants. 1977 emerged as a fourth inflexion point in the U.S.-Brazil trade relationship, with Brazilian domestic factors appearing as the major determinants.
Lanthanide chemical shift reagents as tools for determining isomer distributions in 2,4-hexadienoates and related compounds.

Quantitative analysis of geometrical isomers of unsaturated esters and alcohols is facilitated with Eu(fod)3. Commercial sorbic acid exists in the all-trans form, while sorbyl alcohol contains c. 10% of the cis-4,5 isomer.
Update on the management of acute graft-versus-host disease.

Purpose of reviewAcute graft-versus-host disease is one of the commonest complications after allogeneic stem cell transplantation. Recent advances in its prevention and therapy are giving new hope to patients with this disease. This review covers the major advances in prophylaxis and therapy for thi
Adsorption technology for direct recovery of compressed, pure CO2 from a flue gas without pre-compression or pre-drying

The effects of the sorption and the regeneration temperatures on the performance of a novel rapid thermal swing chemisorption (RTSC) process (Lee and Sircar in AIChE J. 54:2293–2302, 2008) for removal and recovery of CO2 from an industrial flue gas without pre-compression, pre-drying, or pre-cooling of the gas were mathematically simulated. The process directly produced a nearly pure, compressed CO2 by-product stream which will facilitate its subsequent sequestration. Na2O promoted alumina was used as the CO2 selective chemisorbent, and the preferred temperatures were found to be, respectively, 150 and 450 °C for the sorption and regeneration steps of the process. The specific cyclic CO2 production capacity of the process and the pressure of the by-product CO2 gas were substantially increased over those previously achieved by using the sorption and regeneration temperature of, respectively, 200 and 500 °C (Lee and Sircar in AIChE J. 54:2293–2302, 2008). The net compressed CO2 recovery from the flue gas (∼92%) did not change. However, substantially different amounts of high and low pressure steam purges were necessary for comparable degree of desorption of CO2. A first pass estimation of the capital and the operating costs of the RTSC process was carried out for a relatively moderate size application (flue gas clean up and CO2 recovery from a ∼80 MW coal fired power plant). Both costs were substantially lower than those for a conventional absorption process using MEA as the CO2 solvent (Desideri and Paolucci in Energy Convers. Manag. 40:1899–1915, 1999).
Design, docking, and evaluation of multiple libraries against multiple targets.

We present a general approach to the design, docking, and virtual screening of multiple combinatorial libraries against a family of proteins. The method consists of three main stages: docking the scaffold, selecting the best substituents at each site of diversity, and comparing the resultant molecules within and between the libraries. The core “divide-and-conquer” algorithm for side-chain selection, developed from an earlier version (Sun et al., J Comp Aided Mol Design 1998;12:597–604), provides a way to explore large lists of substituents with linear rather than combinatorial time dependence. We have applied our method to three combinatorial libraries and three serine proteases: trypsin, chymotrypsin, and elastase. We show that the scaffold docking procedure, in conjunction with a novel vector-based orientation filter, reproduces crystallographic binding modes. In addition, the free-energy-based scoring procedure (Zou et al., J Am Chem Soc 1999;121:8033–8043) is able to reproduce experimental binding data for P1 mutants of macromolecular protease inhibitors. Finally, we show that our method discriminates between a peptide library and virtual libraries built on benzodiazepine and tetrahydroisoquinolinone scaffolds. Implications of the docking results for library design are explored. Proteins 2001;42:296–318. © 2000 Wiley-Liss, Inc.
Comparison of Poly(o-anisidine) and Poly(o-anisidine-co-aniline) Copolymer Synthesized by Chemical Oxidative Method

In this study, poly(o-anisidine) [POA], poly(o-anisidine-co-aniline) [POA-co-A], and polyaniline [PANi] were chemically synthesized using a single polymerization process with aniline and o-anisidine as the respective monomers. During the polymerization process, p-toluene sulfonic acid monohydrate was used as a dopant while ammonium persulfate was used as an oxidant. N-methyl-pyrolidone (NMP) was used as a solvent. We observed that the ATR spectra of POA-co-A showed features similar to those of PANi and POA as well as additional ones. POA-co-A also achieved broader and more extended UV–vis absorption than POA but less than PANi. The chemical and electronic structure of the product of polymerization was studied using Attenuated Total Reflectance spectroscopy (ATR) and UV–visible spectroscopy (UV–vis). The transition temperature of the homopolymers and copolymers was studied using differential scanning calorimetry and the viscosity average molecular weight was studied by using dilute solution viscometry. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2010
Laboratory Profiles Of Equine Diseases

This time-saving guide to diagnosis of diseases in horses helps practitioners and students interpret the results of laboratory tests. It includes concise discussions, clear graphics, and flow charts facilitate quick and accurate diagnosis.
Rings: Semicoherent oceanic features

Solitary wave or isolated eddy models are often invoked to explain the longevity of strong nonlinear features in oceans and atmospheres. But when we look at the physics in detail, we find that models of isolated eddies often hinge either on an oversimplification of the dynamics or on constraints which are not appropriate for the observed eddies. In a more complete model, as this study demonstrates, rings (and probably other nonlinear geophysical eddies as well) will interact with their surroundings via Rossby wave radiation, primarily in the barotropic mode. Such wave generation leads to a slow decay of the eddy as energy leaks into the wave field.
DXA: Can It Be Used as a Criterion Reference for Body Fat Measurements in Children?

Objective: Dual-energy X-ray absorptiometry (DXA) is often cited as a criterion method for body composition measurements. We have previously shown that a new DXA software version (Hologic Discovery V12.1) will affect whole-body bone mineral results for subjects weighing <40 kg. We wished to reanalyze pediatric whole-body scans in order to assess the impact of the new software on pediatric soft-tissue body composition estimates. Methods and Procedures: We reanalyzed 1,384 pediatric scans (for ages 1.7–17.2 years) using Hologic software V12.1, previously analyzed using V11.2. Regression analysis and ANCOVA were used to compare body fat (total body fat (TBF), percentage fat (%BF)), and non-bone lean body mass (LBM) for the two versions, adjusting for gender, age and weight. Results: Software V12.1 yielded values that were higher for TBF, lower for LBM, and unchanged for DXA-derived weight in subjects weighing <40 kg. Body composition values for younger, smaller subjects were most affected, and girls were more affected than boys. Using the new software, 14% of the girls and 10% of the boys were reclassified from the “normal” %BF range to “at risk of obesity,” while 7 and 5%, respectively, were reclassified as obese. Discussion: Hologic's newest DXA software has a significant effect on soft-tissue results for children weighing <40 kg. The effect is greater for girls than boys. Comparison of TBF estimates with previous studies that use older DXA instruments and software should be done with caution. DXA has not yet achieved sufficient reliability to be considered a “gold standard” for body composition assessment in pediatric studies.
A FINE-SCALE SPATIAL ANALYSIS OF THE MOSAIC HYBRID ZONE BETWEEN GRYLLUS FIRMUS AND GRYLLUS PENNSYLVANICUS

Abstract The pattern of character variation within a hybrid zone, the hybrid zone structure, has been used to infer the processes that maintain hybrid zones. Unfortunately it is difficult to infer process from structure alone because many different processes can produce the same pattern of character variation. Mosaic hybrid zones may be maintained by exogenous selection in a heterogeneous environment and/or endogenous selection against hybrid individuals; habitat preference, premating isolating barriers and/or fertility selection can also contribute. The spatial scale at which a hybrid zone is sampled affects its apparent structure; a hybrid zone may appear clinal at one scale and mosaic at another. Here, we sample the mosaic hybrid zone between two field crickets, Gryllus firmus and G. pennsylvanicus, at a scale that spans the boundaries between individual soil-habitat patches. From our analysis, we find that at fine scales, the mosaic hybrid zone resolves into a set of steep clines across patch boundari...
Electrospun polyvinyl alcohol–collagen–hydroxyapatite nanofibers: a biomimetic extracellular matrix for osteoblastic cells

The failure of prosthesis after total joint replacement is due to the lack of early implant osseointegration. In this study polyvinyl alcohol-collagen-hydroxyapatite (PVA-Col-HA) electrospun nanofibrous meshes were fabricated as a biomimetic bone-like extracellular matrix for the modification of orthopedic prosthetic surfaces. In order to reinforce the PVA nanofibers, HA nanorods and Type I collagen were incorporated into the nanofibers. We investigated the morphology, biodegradability, mechanical properties and biocompatibility of the prepared nanofibers. Our results showed these inorganic-organic blended nanofibers to be degradable in vitro. The encapsulated nano-HA and collagen interacted with the PVA content, reinforcing the hydrolytic resistance and mechanical properties of nanofibers that provided longer lasting stability. The encapsulated nano-HA and collagen also enhanced the adhesion and proliferation of murine bone cells (MC3T3) in vitro. We propose the PVA-Col-HA nanofibers might be promising modifying materials on implant surfaces for orthopedic applications.
Radiative heat transfer in high-pressure laminar hydrogen-Air diffusion flames using spherical harmonics and k-distributions

Radiative heat transfer is studied numerically for high-pressure laminar H2-air jet diffusion flames, with pressure ranging from 1 to 30 bar. Water vapor is assumed to be the only radiatively participating species. A full spectrum k-distribution spectral model is used. Narrowband k-distributions of water vapor are calculated and databased from the HITEMP 2010 database, which claims to retain accuracy up to 4000K. The full-spectrum k-distributions are assembled from their narrowband counterparts to yield high accuracy with little additional computational cost. The radiative transfer equation (RTE) is solved using various spherical harmonics methods, such as P1, simplified P3 (SP3) and simplified P5 (SP5). The resulting partial differential equations as well as other transport equations in the laminar diffusion flames are discretized with the finite-volume method in OpenFOAM. Differential diffusion effects which are important in laminar hydrogen flames are also included in the scalar transport equations. It was found that peak flame temperature becomes less sensitive to radiation at higher pressure, and that radiation causes cooling in the downstream region. Differences between the three spherical harmonics RTE solver were found negligible below 5 bar.Copyright © 2012 by ASME
Digital Effects and Delays in Connected Vehicles: Linear Stability and Simulations

To improve the ride quality in connected vehicle platoons, information about the motion of the leader can be transmitted using vehicle-to-vehicle (V2V) communication and such information can be incorporated in the controllers of the following vehicle. However, according to the current V2V standards, dedicated short range communication (DSRC) devices transmit information every 100 ms which introduces time delays into the control loops. In this paper we study the effects of these time delays on the dynamics of vehicle platoons subject to digital control and derive conditions for plant stability and string stability. It is shown that when the time delay exceeds a critical value, no gain combination can stabilize the system. Our results have important implications on connected vehicle design.Copyright © 2013 by ASME
Marine geotechnology—state of the art

Abstract The state of the art in marine geotechnology can best be defined with reference to what is known about soils on land. Differences between these two states of knowledge are the significant problems for the marine environment. Among the major problems addressed in this paper are (a) Sampling of soils, which involves much more serious disturbance than is considered acceptable on land. Disturbance results from several uniquely marine factors including total stress release and drilling mud overpressure, (b) Underconsolidation, or excess in situ pore pressure, caused by rapid rates of sedimentation, gas, leaks from an artesian pressure source, or cyclic loading. (c) Gas in sediments, which can cause an increase in the in situ pore pressure, hinders subsurface investigation, and is a major cause of sample disturbance. (d) The difficulty and necessity of in situ measurements. (e) The predominance of dynamic loading effects which can cause significant changes in soil behavior. A major difference between g...
Tabulation of the Harmonic Coefficients of the Solar Magnetic Fields

Tables of spherical harmonic coefficients for the global photospheric magnetic field between 1959 and 1974 are now available on microfilm. (These are the same coefficients which were used to construct the maps of the coronal magnetic atlas.)
Chiral separations using polymeric surfactants and polyelectrolyte multilayers in open-tubular capillary electrochromatography.

In this study, fused-silica capillaries are modified using a polyelectrolyte multilayer (PEM) coating procedure in open-tubular capillary electrochromatography. The PEM coating was constructed in situ with alternating rinses of positively and negatively charged polymers. The quaternary ammonium salt poly (diallyldimethylammonium chloride) was used as the cationic polymer, and the polymeric surfactant poly (sodium N-undecanoyl-l-leucylvalinate) was used as the anionic polymer. Previous studies have shown that the PEM-coated capillaries used for achiral separations have excellent reproducibilities and high stabilities against extreme pH values. In the current study, this PEM coating approach was applied to chiral separations of 1,1‘-binaphthyl-2,2‘-dihydrogenphosphate (BNP), 1,1‘-bi-2-naphthol, secobarbital, pentobarbital, and temazepam. However, the PEM coating procedure used in the achiral studies needed to be significantly modified in order to achieve chiral separations. Optimal conditions were establish...
The cognitive use of language by disadvantaged and nondisadvantaged children

Abstract The cognitive use of language was evaluated among sixth-grade disadvantaged and nondisadvantaged children by eliciting spontaneous language samples in response to a series of 14 auditory stimuli, each depicting one or more human and/or mechanical sounds. Responses were analyzed according to the following dimensions: (a) units of thought; (b) concept formation; (c) parts of the sound responded to; (d) integration; (e) manner of verbalization; and (f) identification. Disadvantaged children manifested significantly fewer units of thought than their advantaged counterparts. Several significant trends were noted for several of the remaining dimensions and were discussed. The general cognitive styles of the subject groups were related to the field-dependency-independency dichotomy described in the literature by Witkin and his associates.
Supraoptic nucleus afferents from the main olfactory bulb--II. Intracellularly recorded responses to lateral olfactory tract stimulation in rat brain slices.

Abstract To establish the functional nature of the anatomically demonstrated main olfactory bulb inputs to the supraoptic nucleus, electrophysiological responses of intracellularly recorded supraoptic neurons to lateral olfactory tract stimulation were recorded in horizontal slices of basal forebrain and hypothalamus. A total of 71 synaptically influenced neurons were studied in slices from adult rats of both sexes. Of these, 60 cells (84%) were monosynaptically activated by olfactory tract stimulation; seven cells (10%) were activated via polysynaptic pathways; and four cells (6%) were characterized by long latency inhibitory responses. Lucifer Yellow was injected into 64 cells and subsequent immunocytochemical identification of 44 of these neurons showed that both oxytocin and vasopressin cells, in approximately equal numbers, were excited by olfactory stimulation. Polysynaptically mediated excitation, however, was only associated with oxytocin cells (six of the six identified cells). These results corroborate anatomical tract tracing data showing main olfactory bulb efferents to both supraotic neurons and to neurons of the perinuclear zone. Also supported are earlier speculations of olfactory participation in release of oxytocin and vasopressin during various physiological states.
SPARC: a Ca2+-binding extracellular protein associated with endothelial cell injury and proliferation.

SPARC (Secreted Protein that is Acidic and Rich in Cysteine) is a Ca2+-binding, stress-related protein released in vitro by both malignant and normal cells derived from all primordial germ layers. It is specifically elevated in endothelial cells as a result of "culture shock" (characterized by high levels of proliferation and migration) and exhibits density-dependent secretion. Exposure of bovine aortic endothelial cells to endotoxin results in a 70-100% increase in secreted protein, with a three-fold increase in SPARC. Immunofluorescence histochemistry on mouse tissues revealed (a) a preferential association of SPARC with highly proliferative cells (e.g., gut epithelia, mammary gland, and epidermis), (b) a cell surface or stromal location in thymus, lung, and salivary gland, (c) staining of epididymidal epithelium and testicular cells, and (d) an association with somites of 14 d mouse embryos. We envision SPARC as an extracellular modulator of Ca2+ and other cation-sensitive proteins/proteinases, that facilitates cellular proliferation in response to injury and to developmental signals.
Diagrammatic perturbation theory - The ground state of the carbon monosulfide molecule

Diagrammatic many‐body perturbation theory is employed in a study of the ground state of the carbon monosulfide molecule for bond lengths close to the equilibrium value. The calculations are complete through third order in the energy within the algebraic approximation. Two different zero‐order Hamiltonians are considered and all two‐, three‐, and four‐ body terms are determined for the corresponding perturbation expansions. Many‐body effects are found to be very important. Pade approximants to the energy expansion are constructed and upper bounds are evaluated. Almost 53% of the estimated correlation energy is recovered. The variation of components of the correlation energy with nuclear separation is investigated. Spectroscopic constants are also calculated.