cssi/SciSciGPT-SciSciNet huggingface dataset:
An Approach to Direct Determination of Protein Dynamics from 15N NMR Relaxation at Multiple Fields, Independent of Variable 15N Chemical Shift Anisotropy and Chemical Exchange Contributions

An approach to protein dynamics analysis from 15N relaxation data is demonstrated, based on multiple-field relaxation data. This provides a direct, residue-specific determination of both the spectral density components, the 15N chemical shift anisotropy (CSA) and the conformational exchange contribution to the 15N line width. Measurements of R1, R2, and 15N{1H} NOE are used. The approach is free from any assumption about the values of the CSA or of the conformational exchange. Using this approach, the spectral densities, the values of 15N CSA, and the conformational exchange contribution to the 15N line width are directly determined from the relaxation data for human ubiquitin, collected at 360, 500, and 600 MHz. The spectral densities are analyzed in terms of the order parameter and the correlation time of local motion, using an axially symmetric overall rotational diffusion model. The residue-specific values of 15N CSA and the spectral densities obtained using this approach are in agreement with those d...
Enhancing returns on yen: minimizing risk reversal costs

Cash managers and other investors with excess Japanese yen could choose to invest in dollars and to use zero-cost currency options collars (or risk reversals) to limit fluctuations in the dollar-yen exchange rate (as illustrated by VanderLinden and Gramlich, 2005). However, traders know that there is a market-driven, time-varying cost to risk reversals that can reduce their effectiveness in hedging. This paper evaluates a decision rule to reduce the impact of risk reversal costs. This rule, based on a 30-day moving average of risk reversal costs, appears to minimize risk reversal costs when used with the dollar–yen exchange rate. Whether application of the rule significantly improves risk-adjusted returns is less clear.
Magneto elastic active sensors for structural health monitoring using magneto-mechanical impedance and elastic wave propagation

Magneto-elastic active sensors (MEAS) offer an alternative to piezoelectric wafer active sensors (PWAS) for structural health monitoring (SHM) applications. In essence, a MEAS consists of a coil of wire carrying a timevarying electrical current in the presence of a static magnetic field. The Lorentz-force mechanism facilitates transduction without a mechanical bond between the sensor and the host structure, thereby circumventing some of the shortcomings of PWAS. In this paper, the development of MEAS is briefly recounted and applications of MEAS to SHM are presented. The miniaturization of MEAS for improved embeddability is also discussed. The ability of MEAS to detect loose bolts by the pitch-catch method is presented. MEAS application for near-field and far-field crack detection is also explored. Finally, the utilization of MEAS in Magneto-Mechanical Impedance (MMI) method is discussed. The MMI technique provides a means of assessing the integrity of metallic structures through measurement of structural dynamic response. Since structural damage affects mechanical properties, it modifies structural dynamic characteristics reflected in MMI signature. The use of MMI to monitor fatigue damage in aluminum alloys is presented. Aluminum samples were subjected to cyclic loading in increments of 10,000 cycles until cracks appeared. The MMI responses show downward frequency shift of impedance peaks as samples deteriorate under fatigue loading, confirming the capability of MMI techniques to detect incipient fatigue damage. Thus, the applicability of MEAS to various SHM techniques is demonstrated, and the advantages and disadvantages of MEAS are explored.
Activated chemisorption of methane and tunneling

Abstract Previous studies of methane chemisorbing on metals have all been interpreted in terms of tunneling, but the evidence is inconclusive. Chemisorption rates on a W(211) surface at room temperature have therefore been measured for CH 4 and CD 4 from a molecular beam at T g > 550 K. Only small differences are found in the activation energies. Models for tunneling from translationally hot molecules, as well as from excited vibrational states, are explored as possible descriptions of chemisorption and found incompatible with small isotope effects observed.
Testosterone-dependent sexual dimorphism of the mouse kidney is mediated by polyamines

Abstract Male mice exhibit higher levels of kidney ornithine decarboxylase and polyamines and excrete larger amounts of polyamines into the urine than female mice. Orchiectomy elicits the female pattern and testosterone induces the male pattern of polyamine synthesis and excretion. α-Difluoromethylornithine, a specific inhibitor of ornithine decarboxylase, suppressed the testosterone-induced increase in kidney ornithine decarboxylase and polyamines and urinary excretion of polyamines. It also suppressed the testosterone-induced increment in kidney cytochrome c oxidase, lysosomal hydrolases and lysosomal enzymuria, and attenuated the renal hypertrophy. Administration of exogenous putrescine increased kidney polyamine levels and abolished the inhibitory effect of α-difluoromethylornithine. These data indicate that enhanced ornithine decarboxylase activity and polyamine synthesis are essential in mediating androgenic effects on proximal tubule mitochondria and lysosomes. Testosterone-induced kidney growth is at least partially mediated by ornithine decarboxylase and the polyamines.
Drug and vaccine access in the Ebola epidemic: advising caution in compassionate use.

A World Health Organization advisory panel recently concluded that it is ethical to use experimental medications and vaccines that have not been formally approved or tested in humans to treat perso...
New HLA-A, -B, and -C locus-specific primers for PCR amplification from cDNA: application in clinical immunology

The individual cellular immune response to intracellular antigens is modeled by the highly polymorphic major histocompatibility complex (HLA) class I molecules. The epitopes presented and the T cell repertoire that recognizes them depend on the HLA constitution of the individual. Therefore, to monitor and to modify an individual's HLA class I-driven cellular immune response, it is necessary to know the HLA class I alleles of the person and the possible epitopes of the target antigen presented by those alleles. In particular, this is necessary in order to design peptide-based vaccines and immune therapies for the treatment of diseases caused by viruses, intracellular parasites or cancer, and to monitor the immune response during those treatments. We describe a new set of HLA-A, -B, and -C locus-specific primers for the polymerase chain reaction (PCR) amplification of the whole coding sequence of these genes from complementary DNA (cDNA). We describe their use for typing and for the production of a library of recombinant HLA class I genes. We discuss two downstream applications of this gene collection: production of soluble HLA molecules and discovery of new epitopes.
A structural examination of the Learning Experiences Questionnaire

Abstract The underlying factor structure of the Learning Experiences Questionnaire (LEQ; Schaub, 2004) was examined using data from 742 male and female college-age respondents. The LEQ items reflect a variety of learning experiences (generated based on Bandura's (1986, 1997) four sources of self-efficacy perceptions) that might occur in each of Holland's (1997) six RIASEC domains. The LEQ was expected to have a multi-dimensional factor structure, with dimensions representing both RIASEC context and learning experience type. A multi-trait multi-method framework was used to compare the relative fits of a series of models with different theoretically implied dimensionalities, estimated using confirmatory factor analysis. Results supported the proposed multi-dimensional structure. Results of follow-up tests of measurement invariance for men and women revealed that configural and partial factorial invariance held, implying that the LEQ measure functions similarly for men and women.
Optimizing the losses in a tractional induction motor within a hybrid system

Optimization of the losses in a tractional induction motor within a hybrid system is considered. Various types of electric drives are investigated.
The design and implementation of the habanero-java parallel programming language

The Habanero-Java language extends sequential Java with a simple but powerful set of constructs for multicore parallelism. Its implementation includes a compiler that generates standard Java classfiles, a runtime system that builds on the java.util.concurrent library, an IDE (DrHJ) that extends DrJava, and a new data-race detection tool.
Asymmetric random walks and drift-diffusion

To obtain the drift-diffusion equation from an asymmetric random walk it has been required that the left and right jump probabilities are approximately equal. It is shown here that such a restriction is not needed. Using multiple scales the equation is derived, where the scales are based on the advection and diffusion scales.
Biliary excretion and enterohepatic circulation of paracetamol in the rat

1. Within 8 h after i.v. administration of paracetamol (100 mg/kg) to rats, 28.7% was excreted into bile; 1.2% dose as unchanged drug, 14.3% as the glucuronide, 8.2% as the sulphate, 4.7% as the glutathione conjugate, 0.32% as the mercapturate.2. Rats with cannulated bile-ducts excreted 62.8% dose in the urine in 8 h compared with 83.5% in sham-operated rats. Metabolites in urine were paracetamol sulphate (63.2%), the glucuronide (12.1%), unchanged paracetamol (7%), and the mercapturate (1.2%).3. Bile containing paracetamol and its conjugates was infused into the duodenum and within 8 h 45.3% was excreted (5.6% in bile and 39.7% in urine).4. In rats not subjected to surgery, 91.3% dose (100 mg/kg, i.v.) was excreted in urine in 24 h. However, in rats treated twice with activated charcoal or cholestyramine (2 × 1 g/kg orally), urine excretion was decreased to 72.8 and 59.3% dose, respectively.5. These results indicate the enterohepatic circulation of paracetamol and its metabolites in the rat.
Standards for linear retardance

NIST has developed a Standard Reference Material that can be used to calibrate polarimetric instruments and improve measurement accuracy. The device, based on concatenated Fresnel rhombs, provides nominally 90 degrees retardance at 1319 nm, with the actual value known within +/- 0.1 degrees. The design of the retarder is reviewed, and the stability of retardance over time is discussed. A procedure for certification is outlined.
Content Contribution in Social Media: The Case of YouTube

Social media allows individuals and businesses to contribute contents for public viewing. However, little is known about the underlying incentives that why content providers derive utilities from such activities. In this study, we build a dynamic structural model to recover the utility function for content providers. Our model distinguishes short-term payoffs based on ad revenue sharing from long-term payoffs driven by content providers' reputation. The model was estimated using a panel data of 914 top 1000 video providers on You Tube from Jun 7th, 2010, to Aug 7th, 2011 since top providers are more likely to be encouraged by these incentives. Our results show that video providers value incremental subscribers as much as incremental video views. We also find that top providers' reputation is influenced more by accumulative subscribers than by accumulative video views.
Calcite growth inhibition by copper(II)

The e!ectiveness of calcite growth inhibition by copper(II) ions depends not only on copper concentration but also on calcite supersaturation and solution composition (i.e., pH, carbonate concentration, etc.). This paper presents an investigation of the e!ect of solution composition; an earlier paper (Parsiegla and Katz, J. Crystal Growth 200 (1}2) (1999) 213) addressed the e!ect of supersaturation. Calcite growth inhibition by copper(II) ions was investigated over the following range of solution compositions: pH 7.00}9.25, [CO2~ ]"10~3.0}10~5.0 M, and [HCO~ ]"0.1}0.001 M; all at „"253C, a supersaturation of S"7.8, and an ionic strength of I"0.1 M. Growth rates in the absence and presence of copper were measured using a constant composition seeded growth technique. Calcium ion activity, copper ion activity and pH were measured and controlled in situ using ion selective electrodes. With this technique, rate data at known inhibitor concentrations were obtained. This study shows that calcite growth inhibition by copper(II) ions is not a simple function of the total dissolved copper concentration, [Cu] T , or the free copper ion concentration, [Cu2‘]. Instead, the observed dependencies of reduction in growth rate on [Cu] T strongly suggest that copper complexes (e.g., Cu(CO 3 )2~ ) are involved in growth inhibition. In addition, the observed dependencies of the reduction in growth rate on pH and [CO2~ ] are adequately "t by assuming that copper hydroxide and copper carbonate complexes, respectively, are the actual growth inhibitors. Measured reductions in growth rate were related to inhibitor concentrations in solution using the Langmuir adsorption isotherm, with the Langmuir constants as "tting parameters. The dependence of reduction in growth rate on solution composition (i.e., on pH, [CO2~ ], and [Cu] T ) could quantitatively be described (to within a factor of 2.4) by postulating that three copper complexes, i.e., CuCO0 , Cu(CO 3 )2~ , and Cu 4 (CO 3 ) 3 (OH)~ , were the growth inhibitors. ( 2000 Elsevier Science B.V. All rights reserved.
A further interpretation of resonance and electrical factors affecting copolymerization

New equations for evaluation of resonance (q) and electrical (ϵ) factors affecting copolymerization have been derived: The new equations will apply over any temperature range, and will express ϵ in terms of e.s.u. and q in kcal./mole. These factors were determined for an extensive list of monomers and were tabulated. Agreement with Hammett σ values and other kinetic and theoretical considerations were found.
Attitude Stability of Dissipative Dual-Spin Spacecraft

Spin-axis attitude stability of dissipative dual spin spacecrafts in force-free environment
Cardiac fibronectin: developmental distribution and quantitative comparison of possible sites of synthesis.

Abstract Evidence accumulating from other cell systems suggests that fibronectin, if present in the heart, might modulate patterns of cell organization during myocardial development. Accordingly, we examined hearts of fetal, neonatal and adult rats for the presence and distribution of fibronectin, and quantitatively measured fibronectin synthesis by cultured cardiac myocytes and mesenchymal cells to assess the relative importance of these potential intracardiac sources of this glycoprotein. Fibronectin was present in the hearts from all age groups and was distributed in a reticular pattern suggesting a pericellular or interstitial location. In fetal hearts, specific immuno-fluorescence was particularly prominent at the crest of the developing interventricular septum. In post-confluent cardiac mesenchymal cultures, a dense fibrillar network of fibronectin formed over the surface of the cells. The content of fibronectin in the culture medium assessed by enzyme-linked immunosorbent assay increased substantially at confluence from 2 to 17 mg/dish, stabilizing at 11 mg in post-confluent mesenchymal cultures. In myocytic cultures, fibronectin formed a fine reticular pattern over cell surfaces and the fibronectin content of the medium ranged from 0.8 to 2.1 mg. Thus, fibronectin is present in the heart, may be synthesized in the neonate predominantly by cardiac mesenchymal cells, and may contribute by mechanisms still to be characterized in vivo to normal development of the critical septal region during embryogenesis.
Performing a cost-effectiveness analysis: surveillance of patients with ulcerative colitis

Abstract Objective: To illustrate the principles of cost-effectiveness analysis, this third article in the “Primer on Economic Analysis for the Gastroenterologist” applies published criteria for appraising an economic analysis to a study of the cost-effectiveness of surveillance of patients with ulcerative colitis. Methods: We review and apply the 10 standard criteria for critical appraisal and evaluation of cost-effectiveness analyses. Summary: We outlined the development and critique of a decision analytic model that examines the cost-effectiveness of surveillance of patients with ulcerative colitis, and we compared the cost-effectiveness of surveillance of patients with ulcerative colitis to other well-accepted medical practices.
In-hospital cardiopulmonary resuscitation: patient, arrest and resuscitation factors associated with survival

Data on 470 adults with single in-hospital cardiac arrest resuscitations were analyzed to determine 24-h and discharge survival rates and to identify significant correlates of survival. One hundred fifty-three (33%) patients were alive 24 h after initiation of cardiopulmonary resuscitation; 69 (45% of 24-h survivors, 15% of all patients) were discharged alive. Logit analysis identified the following independently significant correlates of 24-h survival: arrest locations other than emergency room or cardiac care unit, CPR duration less than 15 min, non-cardiac primary diagnosis, non-asystolic dysrhythmia, less than one intravenous and one drip-administered inotrope and absence of pacemaker insertion and defibrillation. Fifty-one (94%) of 54 patients with all of these characteristics were alive 24 h after initiation of CPR. The same variables, as well as age less than 68 years and absence of intubation were statistically associated with discharge survival. Nine (64%) of 14 patients with all of these characteristics were discharged alive. Increased intervention was generally associated with increased mortality. Overall survival rates replicate previous reports and may reflect the effects of diagnosis-related groups policies on the average illness severity of the in-patient population, rather than failure of current CPR methods to improve the probability of survival. Use of the data as baseline for future studies and as a source of hypotheses for research on decision making are discussed.
Diagnostic tests in patients with symptoms of keratoconjunctivitis sicca.

We compared the relative value of the tear film breakup time, Schirmer test, lactoferrin immunologic assay, and rose bengal staining in 156 patients with varying severity of symptoms characteristic of keratoconjunctivitis sicca and in 39 controls. Statistical analysis showed that in patients with minimal ocular irritation the Schirmer test in combination with the lactoferrin immunologic assay provided an optimal balance between high test sensitivity and low false-positive rates. In patients with moderate to severe ocular burning, foreign body sensation, or pain but with no systemic symptoms of dry mouth or arthritis, and in patients with both ocular and systemic complaints, the lactoferrin assay alone provided statistically significant results. Tear film breakup time and staining with rose bengal were not useful and the Schirmer test had limited value in measuring the rate of tear secretion in these patients.
The Dimensions of the Problem of Eye Disease Among the Elderly

America is aging rapidly. Within the next 30 years, those over 65 years of age will grow to form 17% of the population of the United States; the number of people over 85 will more than double. Currently, the rates of eye disease such as cataract, macular degeneration, diabetic retinopathy, and glaucoma are highest in the older group. The risk of blindness is ten times greater for those over age 65 than for younger individuals. This combination of high rates of disease in the fastest growing segment of the population means that the demand for eye care services will increase dramatically. Undoubtedly, new approaches will appear to deal with the epidemiologic reality.
Relationship between haemoglobin A1C values and recurrent cardiac events: A retrospective, longitudinal cohort study.

Objective: This study set out to analyse the impact of baseline glycosylated haemoglobin A1c (HbA1c) values on the incidence of recurrent cardiac events in patients prescribed optimal secondary prevention medications and receiving aggressive cardiac risk factor management. Methods: This was a retrospective study conducted at Kaiser Permanente Colorado and included adults followed by a clinical pharmacy specialist-managed cardiac risk service (CPCRS) with an incident cardiac event and an HbA1c value measured within 1 year prior or 60 days after the incident cardiac event was identified. Cox proportional hazards models were constructed to assess the relationship between HbA1c levels and recurrent cardiac events (assessed as continuous and categorical measures) after adjustment for potential confounding variables. Results: Of 5663 patients identified within an incident cardiac event between January 1999 and March 2005, 1270 (22.4%) patients had a baseline HbA1c value recorded. Of these 1270 patients, 215 (16.9%) had a recurrent cardiac event. Compared with the ‘no recurrent event’ cohort, the ‘recurrent event’ cohort were younger, less likely to have undergone an initial coronary artery bypass graft, and more likely to have undergone percutaneous coronary intervention with or without stent. The recurrent event cohort was also less likely to have purchased an HMG-CoA reductase inhibitor (‘statin’) [p = 0.043] at the time of the incident cardiac event. There was no significant difference in mean baseline HbA1c value between the cohorts. There were also no significant differences between the cohorts when categorized by baseline HbA1c 7% in the unadjusted analysis. Results remained non-significant after adjustment for sex, incident cardiac event type, baseline age, β-blocker use, statin use and hyperlipidaemia. Conclusion: The results of this study suggest that an abnormal HbA1c is not predictive of recurrent cardiac events among patients with cardiovascular disease when other cardiovascular risk factors are being aggressively treated and appropriate secondary prevention medications are being taken. However, larger studies are warranted to validate these findings
Effects of fiber surface treatments on mechanical properties of wood fiber–cement composites

Abstract The purpose of this research was to determine the effects of treated and untreated hardwood, kraft softwood, and newsprint wood fibers on the 7- and 28-day bending strength, compressive strength, and toughness values for wood fiber–cement composites. Untreated and acrylic- or alkylalkoxysilane-treated hardwood, kraft softwood, and newsprint wood fibers used in wood fiber–cement composites resulted in different bending and compression properties. Fiber characteristics along with different chemical treatments influenced the composite properties. Compressive strength decreased for all fiber types and chemical treatments compared to the neat cement controls. Bending strength values for all wood fiber composites were higher than the neat cement control specimens. Both the acrylic emulsion and alkylalkoxysilane treatments provided improvements in the bending strength values compared to the untreated wood fiber–cement composites. Toughness improved for all untreated and treated wood fiber–cement composites compared to the neat cement control specimens. The toughness value results for the alkylalkoxysilane-treated fibers were similar to the acrylic-treated fibers in that the longer kraft softwood fiber–cement composites had the highest toughness values compared to the other fiber groups.
The temperature dependence of lineshifts, linewidths and line intensities of methane at low temperatures

Abstract Employing the techniques that we have described previously for measuring infrared (i.r.) lineshifts, linewidths and line intensities with a tunable diode laser, we have measured these parameters for lines in the R(4) and R(7) multiplets of the v4-fundamental band of 12CH4 at 161, 209 (or 218) and 295 K using He, Ne, Ar, H2, N2, O2, and air as the perturbers. The temperature dependence of the collision-induced lineshift is markedly different from that of the corresponding collision-broadened linewidth.
Surface-enhanced Raman scattering (SERS) for detection of phenylketonuria for newborn screening

Diagnosis of Phenylketonuria (PKU) in newborns is important because it can potentially help prevent mental retardation since it is treatable by dietary means. PKU results in phenylketonurics having phenylalanine levels as high as 2 mM whereas the normal upper limit in healthy newborns is 120 uM. To this end, we are developing a microfluidic platform integrated with a SERS substrate for detection of high levels of phenylalanine. We have successfully demonstrated SERS detection of phenylalanine using various SERS substrates fabricated using nanosphere lithography, which exhibit high levels of field enhancement. We show detection of SERS at clinically relevant levels.
Expression of Fas Ligand in Arteries of Hypercholesterolemic Rabbits Accelerates Atherosclerotic Lesion Formation

Abstract —Fas ligand (FasL) is expressed by cells of the arterial wall and is present in human atherosclerotic lesions. However, the role of FasL in modifying the initiation and progression of atherosclerosis is unclear. To investigate the role of arterial FasL expression in the development of atherosclerosis, we first established a model of primary lesion formation in rabbit carotid arteries. In this model, infusion of adenoviral vectors into surgically isolated, nondenuded arteries of hypercholesterolemic rabbits leads to the formation of humanlike early atherosclerotic lesions. Expression of FasL in arterial endothelium in this model decreased T-cell infiltration and expression of vascular cell adhesion molecule-1 but did not affect expression of intercellular adhesion molecule-1. Intimal lesions grew more rapidly in FasL-transduced arteries than in arteries transduced with a control adenovirus that did not express a transgene. Total intimal macrophage accumulation was increased in FasL-transduced arteries; however, the proportion of lesion area occupied by macrophages was not elevated. The accelerated lesion growth was primarily due to the accumulation of intimal smooth muscle cells with a synthetic proliferative phenotype. There was no significant apoptosis in FasL-transduced or control arteries and no granulocytic infiltrates. Thus, the net result of elevated FasL expression is to accelerate atherosclerotic lesion growth by increasing lesion cellularity. Vascular expression of FasL may contribute to the progression of atherosclerosis.
Searching for the next generation of teacher educators : Assessing the success of academic searches

In light of a documented shortage of candidates for teacher education faculty positions, this article explores the academic labor market for teacher education faculty using job announcements from the Chronicle of Higher Education and a survey of search chairs to examine the qualifications sought. The authors conclude that the demand for teacher educators is high and the pool of qualified candidates in less than adequate in terms of number of applicants as well as quality. Ads at all types of institutions favored generalists with a terminal degree and K-12 teaching experience, with research universities predictably searching for research experience. The authors discuss implications of various elements of the search process for schools and colleges of education.
The meanings people have for radio today

The continued growth and prosperity of radio broadcasting in the United States, after the shock and changes of function that developed during television's rise in the early 1950's, has been gratifying to those connected with the medium but has been explained mostly by opinion and guess. How do people use radio today? How can radio be used more effectively? What is the image that radio now has? Although a number of different methodologies have been used in a limited number of attempts to answer questions such as the above, few of the results have led to specific actions by the radio broadcasting industry. The following article reports on a research study that set out to (a) discern the meanings people have for “radio”; (b) judge whether people believe that radio, on each of these attributes, is “good”; or “bad”; (c) discover whether there are patterns to these pro and con responses; and (d) find out whether there is some general characteristic that could be used to identify a pattern.
Are Many Heads Better Than Two? Recent Changes in International Technological Collaboration

There are two counter-intuitive trends in technological collaboration currently at work, making collaborative patent applications less common but where they exist, the collaborations involve more partners. Patent data are used to examine these trends along with the impact of recent policy changes.
Synaptic distribution of the endocytic accessory proteins AP180 and CALM.

Clathrin-coated vesicles mediate a variety of endocytosis pathways in cells, including endocytic events at synapses. AP180 and clathrin assembly lymphoid myeloid leukemia protein (CALM) are clathrin accessory proteins that promote the formation of clathrin-coated vesicles. Both proteins bind to membrane lipids through their epsin N-terminal homology domains and interact with clathrin and related protein components through their carboxyl-terminal peptide motifs. We examine their neuronal expression and synaptic distribution. We show that both proteins are detected in synapses but demonstrate different distribution patterns. AP180 is located predominantly in presynaptic profiles, whereas CALM is found nonselectively in pre- and postsynaptic profiles and also in perisynaptic processes. These observations reveal an unexpected relationship between AP180 and the presumed non-neuronal homologue CALM. We propose that both AP180 and CALM function as endocytic accessory proteins at synapses, but each may regulate distinct clathrin pathways. J. Comp. Neurol. 481:58–69, 2005. Published 2004 Wiley-Liss, Inc.
Analytical energy gradients for a unitary coupled-cluster theory

Abstract Our recently developed and tested unitary multiconfigurational coupled-cluster electronic wavefunction method is extended to permit, for the first time, the analytical evaluation of energy derivatives. The unitary nature of this method admits a variational energy functional whose stationary nature plays a key role in simplifying our derivation. Explicit expressions are given for the gradient (first energy derivative) for both the full unitary coupled cluster and its coupled electron pair approximation (CEPA).
Hearing the Other Side Revisited: The Joint Workings of Cross-Cutting Discussion and Strong Tie Homogeneity in Facilitating Deliberative and Participatory Democracy

This study seeks to shed light on the highly publicized democracy dilemma signaling that encountering disagreement tends to promote deliberative democracy, while the same experience can dampen a citizen’s motivation to participate. By assessing the processes wherein the joint workings of cross-cutting discussion and strong tie homogeneity are simultaneously associated with the outcomes of deliberative and participatory democracy, we provide a number of key insights into the puzzling quandary. First, our results indicate that cross-cutting discussion and strong tie homogeneity interact with each other to predict increased political participation. Second, the relationship between cross-cutting discussion and preference for open dialogue is stronger for those who belong to a congenial primary network. Third, efficacious individuals seem more capable of translating the benefits of an ongoing deliberative orientation into meaningful political behavior. The current research suggests that deliberation and partic...
Organic Computing Middleware for Ubiquitous Environments

The complexity of computer systems has been increasing during the past years. To control this complexity organic computing introduces the self-x features. The Organic Computing Middleware for Ubiquitous Environments eases to manage distributed computing systems by using self-configuration, self-optimisation, self-healing and self-protection. To provide these self-x features the latest version of our middleware uses an Observer/Controller architecture with an automated planner. Planning is time consuming so we introduced additionally reflexes for faster reactions. The reflexes are learned from previous plans and can be distributed to resource restricted nodes.
An ADI-PE Approach for Modeling Radio Transmission Loss in Tunnels

Alternate direction implicit (ADI) method is used to study radio wave propagation in tunnels using the parabolic equation (PE). We formulate the ADI technique for use in tunnels with rectangular, circular and arched cross sections and with lossy walls. The electrical parameters of the lossy walls are characterized by an equivalent surface impedance. A vector PE is also formulated for use in tunnels with lossy walls. It is shown that the ADI is more computationally efficient than the Crank Nicolson method. However, boundary conditions become more difficult to model. The boundary conditions of the ADI intermediate planes are given the same boundary conditions as the physical plane and the overall accuracy is reduced. Also, when implementing the ADI in tunnels with circular cross sections the order at which the line by line decomposition occurs becomes important. To validate the ADI-PE, we show simulation results for tunnel test cases with known analytical solutions. Furthermore, the ADI-PE is used to simulate real tunnels in order to compare with experimental data. It is shown that the PE models the electric fields most accurately in real tunnels at large distances, where the lower order modes dominate.
Biased Brownian motion as a mechanism to facilitate nanometer-scale exploration of the microtubule plus end by a kinesin-8.

Kinesin-8s are plus-end–directed motors that negatively regulate microtubule (MT) length. Well-characterized members of this subfamily (Kip3, Kif18A) exhibit two important properties: (i) They are “ultraprocessive,” a feature enabled by a second MT-binding site that tethers the motors to a MT track, and (ii) they dissociate infrequently from the plus end. Together, these characteristics combined with their plus-end motility cause Kip3 and Kif18A to enrich preferentially at the plus ends of long MTs, promoting MT catastrophes or pausing. Kif18B, an understudied human kinesin-8, also limits MT growth during mitosis. In contrast to Kif18A and Kip3, localization of Kif18B to plus ends relies on binding to the plus-end tracking protein EB1, making the relationship between its potential plus-end–directed motility and plus-end accumulation unclear. Using single-molecule assays, we show that Kif18B is only modestly processive and that the motor switches frequently between directed and diffusive modes of motility. Diffusion is promoted by the tail domain, which also contains a second MT-binding site that decreases the off rate of the motor from the MT lattice. In cells, Kif18B concentrates at the extreme tip of a subset of MTs, superseding EB1. Our data demonstrate that kinesin-8 motors use diverse design principles to target MT plus ends, which likely target them to the plus ends of distinct MT subpopulations in the mitotic spindle.
Position-Force Adaptive Control of a Robot with Applications in Construction

Typical tasks in construction engineering which can be performed by robots include the spraying or cleaning of surfaces. Both applications require that the external force at the end of the manipulator be properly controlled. In this paper, the force control problem in spraying is analyzed. The paper shows that an unknown jet force causes the end-effector to diverge from its desired trajectory. The interface between the end-effector of the robot and the jet force is modelled as soft contact. Therefore, the force control problem is simplified to the position control problem because both force error and displacement of the end-effector are measurable. The proposed control scheme, using a position-force adaptive controller, is applied to counterbalancing a jet force. Computer simulation demonstrates that the scheme works well. The maximal position error is reduced to 8 % with new control scheme.
Potential energy boundary surface method: Simulation study

In this paper we study the relationship between the stability boundary of the system (original system), x = y, My = -Dy-f(x) and the stability boundary of the system (reduced system) x = -f(x), where x, y ? Rn and M, D are positive diagonal matrices. A level surface which can be used to approximate the stability boundary of the reduced system will be evaluated.
On performance analysis for signaling on correlated fading channels

A general approach is presented for analyzing the performance of digital signaling with multichannel reception on correlated fading channels. The approach is based on: (i) exploiting the complex Gaussian model for the joint distribution of the fading on the multiple channels; and (ii) applying recent results on the unified performance analysis of digital signaling on fading channels using alternative representations of the Q(/spl middot/) and related functions. Numerical results that illustrate the effect of correlation on the diversity gain from multichannel reception are also presented.
Investigating impacts of anomalous land‐surface conditions on Australian climate with an advanced land‐surface model coupled with the BMRC GCM

A new and complex land-surface model, the bare essentials of surface transfer (BEST), has been incorporated into the Australian Bureau of Meteorology Research Centre (BMRC) atmospheric general circulation model (GCM). A series of experiments with anomalous land-surface conditions using the BEST-GCM were conducted. Three sets of conditions were used for the winter, two of which were related to the soil moisture conditions. The soil over the entire Australian continent was saturated (hereafter WET) and dried (hereafter DRY) on the first time step of 4 July, and then allowed to evolve normally. In another experiment, values of all the 15 BEST parameters over the continent were set to those at a point in the Great Desert and kept unaltered throughout the integration period (hereafter DESERT). Two additional WET and DRY experiments were carried out for the summer, from 6 January for 60 days. The results of these experiments differ significantly from those conducted with bucket-type land-surface parameterization schemes in that: (i) WET or DRY anomalies evolve differently in specific regions. The geographical distributions of responses are more disorganized, possibly because of the inclusion of vegetation, which may enhance the regional features and the non-linear treatment of soil moisture content and surface wetness. (ii) Magnitude of responses are larger because of the greater number of feedback mechanisms. For example, when the feedback of soil moisture and surface albedo is allowed, the increase of soil moisture leads to an increase of evaporation. The increase of soil moisture results in a decrease in albedo which in turn leads to an increase of absorbed solar radiation available for evaporation. (iii) Time-scales of adjustment are different for DRY and WET anomalies. WET anomalies persist much longer, have stronger responses and are more organized than DRY anomalies. (iv) The summer WET or DRY anomalies have larger responses than the corresponding winter anomalies. These results are physically interpreted and their implication in seasonal precipitation forecasting is discussed.
Key factors limiting the open circuit voltage of n/sup +/pp/sup +/ indium phosphide solar cells

The problem of the presently obtained best open-circuit voltage (V/sub oc/) values of n/sup +/pp/sup +/ InP solar cells being considerably smaller than those predicted by basic theory is theoretically investigated. The values of some key parameters in the cells are obtained with a computer model by closely matching theoretical and measured curves for illuminated I-V, log I/sub sc/-V/sub oc/, and spectral response characteristics of a high-efficiency (17.9%) InP solar cell made by the Spire Corporation. An optimally designed InP solar cell with nearly the best efficiency that it is capable of providing in the n/sup +/pp/sup +/ shallow homojunction structure is described and modeled using these parameters. The performance parameters of the optimally designed solar cell are calculated, and it is shown that such a cell is capable of having an efficiency of 22.61% under 1 AM0 at 27 degrees C (300 K). Using a baseline solar cell design which is a slightly modified and improved version of the Spire 6 cell, the key factors which limit the open-circuit voltage V/sub oc/ of such a solar cell are discussed. >
Learning and morphological change

An account is offered to change over time in English verb morphology, based on a connectionist approach to how morphological knowledge is acquired and used. A technique is first described that was developed for modeling historical change in connectionist networks, and that technique is applied to model English verb inflection as it developed from the highly complex past tense system of Old English towards that of the modern language, with one predominant "regular" inflection and a small number of irregular forms. The model relies on the fact that certain input-output mappings are easier than others to learn in a connectionist network. Highly frequent patterns, or those that share phonological regularities with a number of others, are learned more quickly and with lower error than low-frequency, highly irregular patterns. A network is taught a data set representative of the verb classes of Old English, but learning is stopped before reaching asymptote, and the output of this network is used as the teacher of a new net. As a result, the errors in the first network were passed on to become part of the data set of the second. Those patterns that are hardest to learn led to the most errors, and over time are "regularized" to fit a more dominant pattern. The results of the networks simulations were highly consistent with the major historical developments. These results are predicted from well-understood aspects of network dynamics, which therefore provide a rationale for the shape of the attested changes.
Continuous ECGI Mapping of Spontaneous VT Initiation, Continuation and Termination with Antitachycardia Pacing

A 40-year-old woman with nonischemic cardiomyopathy and a left ventricular (LV) ejection fraction of 35% was referred for recurrent ventricular tachycardia (VT). She experienced 248 VT episodes treated by antitachycardia pacing (ATP) over 14 days. In 2005, she received an implantable cardioverter defibrillator for an episode of syncope and nonsustained VT. She later underwent an invasive electrophysiology study (EPS) with inducible VT and an ablation of the AV nodal reentrant tachycardia. Since then, she experienced symptomatic VT, terminated by ATP. Her VT was unresponsive to sotalol and mexiletine. Two EPS in early 2010 failed to induce VT despite intravenous isoproterenol and triple extrastimuli at two right ventricular (RV) sites; therefore, no ablations were performed.
Role of Food and Structural Complexity on Capture of Tribolium castaneum (Herbst) (Coleoptera: Tenebrionidae) in Simulated Warehouses

Tribolium castaneum (Herbst) is a cosmopolitan pest of stored products, grain processing, and food warehouses. This study was initiated to more fully characterize the role of structure, sanitation, and trap location on capture of T. castaneum in pheromone-baited pitfall traps commonly used in insect monitoring programs. Food patches, spatial structure, and trap position were manipulated in pilot scale warehouses with a known density of insects. Significantly greater quantities of insects were captured in traps placed in warehouses without food patches than those with food patches. Insects tended to be captured with greater frequency in the corners and underneath shelves than in the middle of warehouses. Correlation between actual density and trap captures was stronger in warehouses without food patches, suggesting that sanitation is an important part of pest monitoring. Finally, placement of concrete blocks in the middle of the warehouse did not increase the number of beetles captured in that area compared with warehouses without concrete blocks. Results from this study should be considered when developing guidelines for trap interpretation.
Online emergency department ratings, patient satisfaction and the age-old issue of communication

Kilaru et al 1 report a well-designed and well-executed, retrospective, qualitative study, which suggests that one-third of online (Yelp-sourced) patients’ hospital reviews address care in emergency departments (EDs). Using strong qualitative methods, the authors describe the themes emerging from Yelp users’ free-text ED reviews. Some of these themes—communication with nurses, communication with doctors and pain control—correspond with the categories in the nationally accepted US Hospital Consumer Assessment of Healthcare Providers and Systems (HCAHPS) survey. Other themes—waiting and efficiency, decisions to seek care in the ED and the events following discharge—differ from HCAHPS’ domains. These findings are unlikely to surprise those working in an ED, although the report that the majority of comments are positive may be less expected. This publication makes a useful contribution to the field of patient safety and satisfaction in several ways. First, it may inform future efforts to obtain patients’ feedback on their satisfaction with emergency services. As the authors note, the Center for Medicare and Medicaid Services is currently developing an ED-based version of HCAHPS. We hope that some of the ED-specific themes identified in this paper—which, importantly, match the correlates of ED-related satisfaction and …
Don't thrash: how to cache your hash on flash

Many large storage systems use approximate-membership-query (AMQ) data structures to deal with the massive amounts of data that they process. An AMQ data structure is a dictionary that trades off space for a false positive rate on membership queries. It is designed to fit into small, fast storage, and it is used to avoid I/Os on slow storage. The Bloom filter is a well-known example of an AMQ data structure. Bloom filters, however, do not scale outside of main memory. This paper describes the Cascade Filter, an AMQ data structure that scales beyond main memory, supporting over half a million insertions/deletions per second and over 500 lookups per second on a commodity flash-based SSD.
Application of an Artificial Neural Network to the Prediction of OH Radical Reaction Rate Constants for Evaluating Global Warming Potential.

Rate constants for reactions of chemical compounds with hydroxyl radical are a key quantity used in evaluating the global warming potential of a substance. Experimental determination of these rate constants is essential, but it can also be difficult and time-consuming to produce. High-level quantum chemistry predictions of the rate constant can suffer from the same issues. Therefore, it is valuable to devise estimation schemes that can give reasonable results on a variety of chemical compounds. In this article, the construction and training of an artificial neural network (ANN) for the prediction of rate constants at 298 K for reactions of hydroxyl radical with a diverse set of molecules is described. Input to the ANN consists of counts of the chemical bonds and bends present in the target molecule. The ANN is trained using 792 •OH reaction rate constants taken from the NIST Chemical Kinetics Database. The mean unsigned percent error (MUPE) for the training set is 12%, and the MUPE of the testing set is 5...
Working Capital und Prozessmanagement: Untersuchung und Gestaltung

Es klingt zunachst banal: Wer unterschiedliche Instrumente in seinem Werkzeugkasten hat und beherrscht, kann unterschiedliche Problemstellungen zielgerechter masgeschneidert angehen. Wer dagegen nur einen Hammer besitzt und als Werkzeug kennt, fur den ist jedes Problem ein Nagel.