cssi/SciSciGPT-SciSciNet huggingface dataset:
Interaction energies of diatomic molecules using partial antisymmetry and Hartree–Fock atomic wave functions

We provide a numerical test of a new approach to calculating approximate interatomic interaction energies based on partial antisymmetry (PA) [Adams, Chem. Phys. Lett. 68, 511 (1979)]. We use spin-coupled products of single determinant atomic wave functions to approximate a particular primitive wave function of the diatomic. Three methods are used: (1) the conventional full antisymmetry (FA) approach, in which the primitive wave function is antisymmetrized and the difference of expectation values of the total energies of the diatomic and atomic systems is calculated, (2) the PA approach, in which only some of the terms of the antisymmetrizer are applied to the primitive wave function, and the energy expressions are simplified based on approximations to the PA theorem [Adams, op. cit.], and (3) a hybrid approach based on a combination of assumptions from the first two approaches, which is comparable to the work of Dacre and McWeeny [Proc. Roy. Soc. London A317, 435 (1970)]. Results are compared with accurate potential curves from the literature. Interaction energies were calculated for the X1Σ+g states of Ne2, Li2, and Na2, the X1Σ+ states of LiNa and LiF, the x3Σ+u states of Li2 and Na2, x7Σ+u, and x3Σ+ LiNa at several internuclear distances. In all cases but Ne2, the PA and FA interaction energies are much closer to each other than is either to the accurate reference values. In these cases there is thus no significant penalty exacted for the use of PA over FA, even though it is easier to use. By conventional reasoning, neither the PA nor the Dacre–McWeeny approaches should work at short range or for binding molecules, because they truncate expansions of the antisymmetrizer in the energy expression. Our results provide counter examples to change that expectation, thus providing additional evidence in support of an approximate approach based on the PA theorem.
Training for Systematic Search Using a Job Aid

A dominant component of quality control, visual inspection can be broken down into two elements: visual search and decision-making. This study focuses on the search process. The search process has been mathematically described as random, systematic, or somewhere in between. Mathematical models and empirical studies have shown that the best performance in detecting defects during visual inspection results from the use of a systematic search strategy. For this study, a job aid that could potentially be used as an off-line training tool was developed to promote systematic visual search strategy. The job aid, a moving cursor on the viewing screen, was used to determine an optimal search speed or a range of optimal speeds for which the highest inspection accuracy could be achieved.
Synthesis and characterization of end-group modified hyperbranched polyetherimides

End-group modified hyperbranched polyetherimides were prepared by a one-pot, two-step reaction sequence. General synthetic techniques were developed to prepare both monofunctional terminating segments and the corresponding modified polyetherimide hyperbranched polymers. Monofunctional groups were used to terminate an AB2-type polycondensation reaction, generating capped hyperbranched polymers (HBPs). The composition and constitution of the end groups controlled the solubility and thermal properties of the HBPs. For the same polymer backbone, different end groups were able to shift the glass-transition temperature nearly 100 °C. End-group modification greatly influenced the film-forming ability of the HBPs. © 2002 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 40: 936–946, 2002
EFFECT OF CARBON TETRACHLORIDE-FEEDING ON ESTROGEN EXCRETION IN THE NORMAL FEMALE GUINEA PIG

In order to confirm and extend previous investigations in which increases in urinary estrogens were found in rats after partial hepatectomy (Schiller and Pincus, 1944), and in humans who had chronic liver cirrhosis accompanied by gynecomastia (Glass, Edmondson and Soil, 1940, 1944) or acute hepatitis (Gilder and Hoagland, 1946), the total estrogen excretion has been studied in normal female guinea pigs before, during and after carbon tetrachloride feeding. experimental Materials and Methods: Six female guinea pigs weighing an average of 815 g. at the beginning of the experiment were used. Urine was collected irregularly over a period of 164 days before the CCl4 treatment was begun, over 141 days during CCl4 feeding, over a 45-day period after cessation of CCl4 feeding and over a 16-day period during which CCl4 feeding was resumed. Each guinea pig was fed twice weekly with 0.4 ml. of a CCl4-Wesson oil mixture in which the CCl4 content was varied from 0.02 to 0.08 ml. per dose.
Detection of dentinal cracks using contrast-enhanced micro-computed tomography

A new technique using contrast enhanced micro-computed tomography (micro-CT) was developed to improve the ability to detect dentinal cracks in teeth and assess associated risks to oral health. Extracted, whole human molars that exhibited visual evidence of external cracks following extraction and machined, partially fractured elephant dentin specimens were labeled by BaSO(4) precipitation and imaged by micro-CT. Contrast-enhanced micro-CT was demonstrated in vitro to enable non-destructive, 3-D imaging of the presence, morphology and spatial location of dentinal cracks in whole human molars and machined specimens. BaSO(4) staining provided enhanced contrast for the detection of cracks that could not be detected prior to staining. Backscattered SEM micrographs showed that BaSO(4) was precipitated on the surfaces of dentinal cracks and within adjacent tubules. The new methods demonstrated in this study are expected to be useful for clinical and scientific studies investigating the etiology and treatment of dentinal cracks in teeth.
A laboratory bioassay for oviposition by navel orangeworm moths (Lepidoptera: Pyralidae).

A rotating wheel olfactometer was adapted for laboratory evaluation of oviposition attractants for the navel orangeworm, Paramyelois transitella (Walker). The bioassays were conducted inside a large screen cage in a glasshouse with controlled temperature and humidity. Flying female moths responded to attractant volatiles emitted from egg traps on the olfactometer and oviposited on the surface of the traps.
The Role of Phosphate and Other Factors on the Pathogenesis of Renal Osteodystrophy

Renal osteodystrophy is a serious complication of chronic renal disease, characterized by several alterations in bone structure. This includes osteitis fibrosa cystica, representing the effects of secondary hyperparathyroidism; and osteomalacia, representing defective bone mineralization secondary to abnormalities in the metabolism of vitamin D and other substances induced by renal failure. Less commonly, osteosclerosis and osteoporosis are also seen.
Myosin Heavy Chain Composition in Normal and Atrophic Equine Laryngeal Muscle

The myosin heavy chain (MHC) composition of a given muscle determines the contractile properties and, therefore, the fiber type distribution of the muscle. MHC isoform expression in the laryngeal muscle is modulated by neural input and function, and it represents the cellular level changes that occur with denervation and reinnervation of skeletal muscle. The objective of this study was to evaluate the pattern of MHC isoform expression in laryngeal muscle harvested from normal cadavers and cadavers with naturally occurring left laryngeal hemiplegia secondary to recurrent laryngeal neuropathy. Left and right thyroarytenoideus (TA) and cricoarytenoideus dorsalis (CAD) were obtained from 7 horses affected with left-sided intrinsic laryngeal muscle atrophy and from 2 normal horses. Frozen sections were evaluated histologically for degree of atrophy and fiber type composition. MHC isoform expression was determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) of muscle protein. Histologic atrophy was seen in all atrophic muscles and some right-sided muscles of 3 affected horses, as well as the left TA of 1 normal horse. Fiber type grouping or loss of type I muscle fibers was observed in the left-sided laryngeal muscles in all but 1 affected horse, as well as in the right muscles of 2 affected horses, and the left TA of 1 normal horse. SDS-PAGE showed 2 bands corresponding to the type I and type IIB myosin isoforms in the CAD and TA of the 2 normal horses. Affected horses demonstrated a trend toward increased expression of the type IIB isoform and decreased expression of the type I isoform in atrophic muscles. This study confirmed the presence of histologic abnormalities in grossly normal equine laryngeal muscle, and it demonstrated an increased expression of type IIB MHC with a concurrent decreased expression of type I MHC in affected muscles. Evaluation of muscle fiber changes at the cellular level under denervated and reinnervated conditions may aid in assessing future strategies for reinnervation or regeneration of atrophic laryngeal muscle.
Nuclear envelope assembly in Xenopus extracts visualized by scanning EM reveals a transport-dependent 'envelope smoothing' event

We analyzed the pathway of nuclear envelope assembly in Xenopus egg extracts using field emission in-lens scanning electron microscopy. The binding, fusion, and flattening of vesicles onto the chromatin surface were visualized in detail. The first nuclear pore complexes assembled in flattened patches of nuclear envelope, before the chromatin was fully enclosed by membranes. Confirming previous transmission electron microscope observations, two morphologically distinct types of vesicles contributed to the nuclear membranes: ribosome-carrying (‘rough’) vesicles, many of which bound directly to chromatin, and ‘smooth’ vesicles, which appeared to associate primarily with other nuclear vesicles or membrane patches. The presence of ribosomes, an outer nuclear membrane marker, on many chromatin-binding vesicles suggested that chromatin-attachment proteins integral to the inner membrane were present on vesicles that also carried markers of the outer membrane and endoplasmic reticulum. Chromatin-associated vesicles also carried pore membrane proteins, since pore complexes formed when these vesicles were incubated with cytosol. A change in nuclear envelope morphology termed ‘envelope smoothing’ occurred 5–15 minutes after enclosure. Nuclear envelopes that were assembled in extracts depleted of wheat-germ-agglutinin-binding nucleoporins, and therefore unable to form functional pore complexes, remained wrinkled, suggesting that ‘smoothing’ required active nuclear transport. Lamins accumulated with time when nuclei were enclosed and had functional pore complexes, whereas lamins were not detected on nuclei that lacked functional pore complexes. Very low levels of lamins were detected on nuclear intermediates whose surfaces were substantially covered with patches of pore-complex-containing envelope, suggesting that pore complexes might be functional before enclosure.
An hypothesis on the origin of variable spatial scaling along the septo-temporal axis of the rodent hippocampus

The spatial scaling of place specific activity in the rodent hippocampus varies systematically from the septal pole (high spatial resolution) to the temporal pole (low spatial resolution). In principle, this variable scaling permits the read-out of spatial proximity relationships from spatial population vector correlations over much larger spaces than would be possible from a fixed scale encoding scheme such as might be inferred from the majority of in vivo hippocampal recordings, which have been conducted only in the septal portion of the hippocampus. Decoupling movement in space from ambulatory motion, by having the animal activate and ride on a mobile platform, results in marked attenuation of the amplitude of the local theta rhythm and a corresponding enlargement of the spatial scale factor in the dorsal hippocampus. These results lead to the hypothesis that the self-motion signal is embodied in the theta rhythm, whose gain may vary systematically along the septo-temporal axis of the hippocampus.
Designing Patient-Centered Personal Health Records (PHRs): Health Care Professionals' Perspective on Patient-Generated Data

Currently, patients not only want access to various medical records their health care providers keep about them, but they also are willing to become active participants in managing their own health information and the health information of the ones they care for. Personal health records were developed to help fulfill this need. Health care professionals are instrumental in the successful adoption of PHRs. Nevertheless, a full understanding of different health care practitioners' views of PHRs, including how PHRs could fit into the existing health care system, is lacking. The purpose of this exploratory study is to investigate PHRs from the perspective of health care professionals. Twenty-one practitioners with 10 different specialties were interviewed. The results suggest that although PHRs were still a novel concept to the study participants, a majority of them did value information provided by patients and would recommend that patients keep such records. Participants with different specialties tended to look for different types of information to be included in PHRs, and wished the information to be presented in ways that supported their work, as well as supported knowledge discovery. The participants also expressed a need to share patient information, but had various concerns about sharing. The implications of the results of the study in regard to the design of future PHR systems are discussed.
Proteomic profiling of glucocorticoid-exposed myogenic cells: Time series assessment of protein translocation and transcription of inactive mRNAs

Prednisone, one of the most highly prescribed drugs, has well characterized effects on gene transcription mediated by the glucocorticoid receptor. These effects are typically occurring on the scale of hours. Prednisone also has a number of non-transcriptional effects (occurring on minutes scale) on protein signaling, yet these are less well studied. We sought to expand the understanding of acute effects of prednisone action on cell signaling using a combination of SILAC strategy and subcellular fractionations from C2C12 myotubes. De novo translation of proteins was inhibited in both SILAC labeled and unlabeled C2C12 myotubes. Unlabeled cells were exposed to prednisone while SILAC labeled cells remained untreated. After 0, 5, 15, and 30 minutes of prednisone exposure, labeled and unlabeled cells were mixed at 1:1 ratios and fractionated into cytosolic and nuclear fractions. A total of 534 proteins in the cytosol and 626 proteins in the nucleus were identified and quantitated, using 3 or more peptides per protein with peptide based probability ≤ 0.001. We identified significant increases (1.7- to 3.1- fold) in cytoplasmic abundance of 11 ribosomal proteins within 5 minutes of exposure, all of which returned to baseline by 30 min. We hypothesized that these drug-induced acute changes in the subcellular localization of the cell's protein translational machinery could lead to altered translation of quiescent RNAs. To test this, de novo protein synthesis was assayed after 15 minutes of drug exposure. Quantitative fluorography identified 16 2D gel spots showing rapid changes in translation; five of these were identified by MS/MS (pyruvate kinase, annexin A6 isoform A and isoform B, nasopharyngeal epithelium specific protein 1, and isoform 2 of Replication factor C subunit 1), and all showed the 5' terminal oligopyrimidine motifs associated with mRNA sequestration to and from inactive mRNA pools. We describe novel approaches of subcellular proteomic profiling and assessment of acute changes on a minute-based time scale. These data expand the current knowledge of acute, non-transcriptional activities of glucocorticoids, including changes in protein subcellular localization, altered translation of quiescent RNA pools, and PKC-mediated cytoskeleton remodeling.
Adaptive source generator compensation and enhancement for speech recognition in noisy stressful environments

The author describes a low-vocabulary speech recognition algorithm which provides robust performance in noisy environments with particular emphasis on characteristics due to stress. A stressed speech source generator framework is formulated to achieve robust speech parameter characterization using a morphological constrained enhancement algorithm and stressed source compensation which is unique for each source generator across a stressed speaking class. An estimated source generator class sequence allows noise parameter enhancement and stress compensation schemes to adapt to changing speech generator types. A phonetic consistency rule is also employed based on input source generator partitioning. Average recognition rates for noisy stressful speech are shown to increase from an average 36.7% for a baseline recognizer to 74.7% for the new recognition algorithm. The new algorithm is also more consistent under varying noisy conditions as demonstrated by a decrease in standard deviation of recognition from 21.1 to 11.9, and a reduction in confusable word-pairs under noisy, stressed speaking conditions. >
Crowdsourcing location-based queries

Location-based queries are quickly becoming ubiquitous. However, traditional search engines perform poorly for a significant fraction of location-based queries, which are non-factual (i.e., subjective, relative, or multi-dimensional). As an alternative, we investigate the feasibility of answering location-based queries by crowdsourcing over Twitter. More specifically, we study the effectiveness of employing location-based services (such as Foursquare) for finding appropriate people to answer a given location-based query. Our findings give insights for the feasibility of this approach and highlight some research challenges in social search engines.
Access to Institutional Resources as a Measure of Social Exclusion: Relations With Family Process and Cognitive Development in the Context of Immigration

Few studies have examined how experiences associated with being an undocumented immigrant parent affects children’s development. In this article, the authors apply social exclusion theory to examine how access to institutional resources that require identification may matter for parents and children in immigrant families. As hypothesized, groups with higher proportions of undocumented parents in New York City (e.g., Mexicans compared to Dominicans) reported lower levels of access to checking accounts, savings accounts, credit, and drivers’ licenses. Lack of access to such resources, in turn, was associated with higher economic hardship and psychological distress among parents, and lower levels of cognitive ability in their 24-month-old children. © Wiley Periodicals, Inc.
Applying the TQM method of process characterization to Harris Semiconductor's Spice model development and support

Improving product-to-market (PTM) cycle time for new products is recognized as a critical success factor in achieving Harris Corporation's quality first goals. One key component in reducing PTM times is the application and improvement of CAD tools and their related models, which are the basis for circuit simulation and verification. As a means to improve PTM times, the total quality management (TQM) methodology of process characterization is applied to Spice model development and support activities. Process characterization is the orderly assessment of current operational procedures and relationships (state), definition of the desired state, and development of a plan that identifies steps for evolving to the desired state. The mechanics of how process characterization is applied to a critical industrial problem are explored, together with results achieved at the end of the three-month process characterization. A cross-functional team representing design systems, technology development, product lines, and manufacturing has been established to implement the recommendations. >
Putin's Etatization project and limits to democratic reforms in Russia

Abstract The paper evaluates Putin's state building efforts in terms of its impact on democratic change in Russia. Putin's evolution is treated as a response and not a solution to the legacy of the Yeltsin era reforms that created a politico-economic system lacking widespread legitimacy. It is argued that Putin's consolidation of power through his centralization measures seriously undermines Russia's prospects for democratization. The paper analyzes his efforts to wrest authority away from regional leaders, oligarchs, parliament and civil society. The analysis contends that concentration of state power in the absence of horizontal accountability and an effective state bureaucracy will only consolidate a non-democratic regime incapable of implementing its proclaimed public policy goals.
Activity of the Mason-Pfizer Monkey Virus Fusion Protein Is Modulated by Single Amino Acids in the Cytoplasmic Tail

Mason-Pfizer monkey virus (M-PMV) encodes a transmembrane glycoprotein with a 38-amino-acid-long cytoplasmic tail. After the release of the immature virus, a viral protease-mediated cleavage of the cytoplasmic tail (CT) results in the loss of 17 amino acids from the carboxy terminus and renders the envelope protein fusion competent. To investigate the role of individual amino acid residues in the CT in fusion, a series of mutations was introduced, and the effects of these mutations on glycoprotein biosynthesis and fusion were examined. Most of the alanine-scanning mutations in the CT had little effect on fusion activity. However, four amino acid substitutions (threonine 4, lysine 7, glutamine 9, and isoleucine 10) resulted in substantially increased fusogenicity, while six (leucine 2, phenylalanine 5, isoleucine 13, lysine 16, proline 17, and glycine 31) resulted in much-reduced fusion. Interestingly, the bulk of these mutations are located upstream of the CT cleavage site in a region that has the potential to form a coiled-coil in the Env trimer. Substitutions at glutamine 9 and isoleucine 10 with alanine had the most dramatic positive effect and resulted in the formation of large syncytia. Taken together, these data demonstrate that individual residues within the cytoplasmic domain of M-PMV Env can modulate, in both a positive and negative manner, biological functions that are associated with the extracellular domains of the glycoprotein complex.
TSL: A System for Generating Abstract Interpreters and its Application to Machine-Code Analysis

This article describes the design and implementation of a system, called TSL (for Transformer Specification Language), that provides a systematic solution to the problem of creating retargetable tools for analyzing machine code. TSL is a tool generator---that is, a metatool---that automatically creates different abstract interpreters for machine-code instruction sets.The most challenging technical issue that we faced in designing TSL was how to automate the generation of the set of abstract transformers for a given abstract interpretation of a given instruction set. From a description of the concrete operational semantics of an instruction set, together with the datatypes and operations that define an abstract domain, TSL automatically creates the set of abstract transformers for the instructions of the instruction set. TSL advances the state-of-the-art in program analysis because it provides two dimensions of parameterizability: (i) a given analysis component can be retargeted to different instruction sets; (ii) multiple analysis components can be created automatically from a single specification of the concrete operational semantics of the language to be analyzed.TSL is an abstract-transformer-generator generator. The article describes the principles behind TSL, and discusses how one uses TSL to develop different abstract interpreters.
Type, rather than number, of mental and physical comorbidities increases the severity of symptoms in patients with irritable bowel syndrome.

Background & Aims Irritable bowel syndrome (IBS) has significant mental and physical comorbidities. However, little is known about the day-to-day burden these comorbidities place on quality of life (QOL), physical and mental function, distress, and symptoms of patients. Methods We collected cross-sectional data from 175 patients with IBS, which was diagnosed on the basis of Rome III criteria (median age, 41 years; 78% women), who were referred to 2 specialty care clinics. Patients completed psychiatric interviews, a physical comorbidity checklist, the IBS Symptom Severity Scale, the IBS-QOL instrument, the Brief Symptom Inventory, the abdominal pain intensity scale, and the Short Form-12 Health Survey. Results Patients with IBS reported an average of 5 comorbidities (1 mental, 4 physical). Subjects with more comorbidities reported worse QOL after adjusting for confounding variables. Multiple linear regression analyses indicated that comorbidity type was more consistently and strongly associated with illness burden indicators than disease counts. Of 10,296 possible physical-mental comorbidity pairs, 6 of the 10 most frequent dyads involved specific conditions (generalized anxiety, depression, back pain, agoraphobia, tension headache, and insomnia). These combinations were consistently associated with greater illness and symptom burdens (QOL, mental and physical function, distress, more severe symptoms of IBS, and pain). Conclusions Comorbidities are common among patients with IBS. They are associated with distress and reduced QOL. Specific comorbidities are associated with more severe symptoms of IBS.
Crosslinked poly(phenylene oxide)-based nanofiber composite membranes for alkaline fuel cells

Anion exchange membranes were fabricated from diamine-crosslinked poly(phenylene oxide) polyelectrolyte nanofibers that were functionalized with either benzyl trimethylammonium or 1,2-dimethylimidazolium groups and embedded in a reinforcing matrix of polyphenylsulfone (PPSU). Nanofibers of the polyelectrolyte precursor, brominated poly(phenylene oxide) with 0.95 CH2Br groups per mer, and PPSU were simultaneously electrospun onto a common collector and the resulting dual fiber mat was converted into a dense and defect-free anion exchange membrane by sequential soaking in a diamine crosslinker solution, exposure to chloroform vapor, and immersion in a solution of either trimethylamine or 1,2-dimethylimidazole. The degree of crosslinking and the ratio of uncharged PPSU to functionalized poly(phenylene oxide) polyelectrolyte were varied to yield composite membranes with an effective ion exchange capacity (IEC) ranging from 1.2–2.8 mmol g−1. A membrane with benzyl trimethylammonium-functionalized polyelectrolyte fibers (4.0 mmol g−1 IEC) with 15% crosslinks and 50 wt% uncharged PPSU exhibited a high hydroxide ion conductivity in water at 23 °C (66 mS cm−1), reasonable water swelling (96%), robust mechanical properties (15 MPa stress-at-break in the hydrated state), and good chemical stability in 1.0 M KOH at 60 °C. Initial hydrogen/oxygen fuel cell tests with this membrane (40 μm thick) were promising, with a peak power density of 320 mW cm−2.
Disclosure of Electronically Stored Information from a Non-Party

While federal court practitioners recently celebrated the fifth anniversary of the monumental rule changes to address “electronically stored information” (ESI), New York State has not followed suit. CPLR Article 31, New York's disclosure article, has not been amended to specifically grapple with the disclosure of information stored in electronic format. New York State judges have been forced to resolve these issues on a case-by-case basis. However, in the hands of a thoughtful judge, the CPLR has proved to be a remarkably adaptable tool to resolve disclosure issues in the electronic age. Some early decisions in this century made clear that, upon demand, a party is required to produce any relevant information that exists in electronic form. The courts have interpreted the language in CPLR 3120, requiring the production of "any designated documents or any things," to include any relevant electronically stored information. Recently, in Tener v. Cremer, 89 A.D.3d 75 (1st Dept. 2011), the First Department ventured into this important realm and addressed the obligation of a nonparty to produce ESI that had actually been deleted through normal business operations. This article is an analysis of the Tener v. Cremer case which is a landmark decision in the infancy of New York’s development of a body of common law interpreting the CPLR to resolve issues arising in electronic disclosure. If New York stays the course and does not opt to substantially amend the CPLR to address the disclosure of ESI, we may actually arrive at a better place. The courts will be more adept to address constant changes in technology and can better exercise the necessary discretion that will help to fairly resolve these issues.
Animal Size, Metabolic Rate, and Survival, Among and Within Species

The positive interspecific relation between mammalian body size and longevity was described more than a century ago and remains one of the most robust patterns known in the biology of aging. Hypotheses about the role of metabolic rate or relative brain size in explaining this pattern have not been supported by detailed analyses. This pattern may be due to an inverse relation between mitochondrial oxygen radical production and body size, although evidence for this hypothesis is sparse. On a less mechanistic level, evolutionary senescence theory provides a compelling rationale that species regardless of size that are less prone to environmental hazards evolve longevity assurance mechanisms leading to longer life- and health span. Considerable evidence suggests that the opposite pattern – smaller size associated with longer life – obtains within species, although detailed information is available for only a few species. Within the species – mice, dogs, and horses – in which this relationship is well-established, the deleterious effects of growth hormone acting either autonomously or through its effect on IGF-I signaling provide a possible explanatory mechanism. Evidence from humans does not appear to conform to this pattern, perhaps because of the dominance of cardiovascular disease as a human cause-of-death.
Remora: a resource monitoring tool for everyone

Knowing about the requirements of HPC applications is a common question that users of high performance systems ask often. However, answering this question requires the collaboration of administrators and sometimes the answer does not contain the amount of detail that users demand. This work introduces a new user space resource monitoring tool, REMORA. REMORA stands for REsource MOnitoring for Remote Applications, and provides a simple interface to gather important system utilization data while running on HPC systems. REMORA is designed to provide a brief text report and post-processing tools to analyze the very detailed records taken during an application run. Users can configure the tool to achieve the amount of detail that they want and perform the analysis of the results at any point in time. REMORA helps users achieving a better understanding of their applications by providing a high level profile of their executions and users can take advantage of that information to improve their codes.
A Mathematical Structure for Modeling Uncertainty in Cost, Schedule, and Escalation Factor in a Portfolio of Projects

The past decade has witnessed a surge in the application of formal probabilistic risk assessment on cost, schedule, or both in major capital projects. Depending on the level of detailed information required the sophistication of risk assessment approach ranges from simply considering some important variables to fully integrated cost/schedule risk models. The most common modeling approach is to model cost components as random variables and calculate total cost distribution. For projects or portfolios spanning several years, the effect of cost escalation on budget is profound. Because of this, the variability of the escalation factor should be considered in the conduct of the risk assessment. This paper provides a mathematical framework for modeling of cost uncertainty in a portfolio of large infrastructure projects with a multi-year duration. This framework considers the randomness of cost and escalation factor at the project level. Relevant equations are presented that consider various degrees of probabilistic modeling from basic to complex. The paper can be used for understanding major drivers of uncertainty in portfolio budget and to evaluate the effect of escalation variability on project costs. The concepts and the suggested approach are explained using a numerical example.
Conjugated Polymer Based Nanocomposites for Photonics Applications

Nanoscale synthesis and processing provides a novel approach for making a new generation of nanocomposite materials with exceptional optical and electrical properties that are needed for the development of new technologies. This presentation will focus on the preparation of nanocomposites made of Poly (para-phenylene vinylene) (PPV) with other polymers, inorganic glasses and semiconductors. We will present a new approach of nanoscale polymerization for making processable monodispersed oligomeric species of PPV which uses the base catalyzed polymerization of PPV monomer within the cavity of a reverse micelle nanoreactor. Application of this approach of fabricating novel materials for a variety of applications in photonics will also be discussed. In addition, we will discuss fabrication of bulk nanocomposites of PPV and silica by insitu polymerization of monomer within a porous glass and their lasing properties.
The Fine Structure of the Oesophageal Diverticula in the Mosquito Aedes triseriatus

The fine structure of the oesophageal diverticula of Aedes triseriatus (Say) (Diptera: Culicidae) was studied in adults and pupae primarily by electron microscopy. Two small dorsal diverticula lie between the flight muscles; one large ventral diverticulum, or crop, lies in the abdomen. The walls of the diverticula consist of an inner noncellular cuticle, a thin epithelium, and an outer network of striated muscle fibers. The cuticular lining is resistant to potassium hydroxide treatment and is composed of 2 layers. A thin osmiophilic layer, the intima, lines the lumen, and a nondense material lies adjacent to the intima. The latter material is difficult to distinguish in the adult. The epithelium is a single layer of squamous cells with large nuclei; the cells in the adult do not appear metabolically active, but the epithelium in the pupa contains an abundant rough endoplasmic reticulum and numerous mitochondria. Large circular muscle fibers pass around the diverticula, and from them smaller fibers extend horizontally and longitudinally. Each fiber consists of a single myofibril which is composed of centrally located myosin filaments with the organelles along the periphery. The muscle nuclei may contain fine granules throughout or contain clumps of dense material. Two longitudinal nerves were found in a dorsal diverticulum. Each nerve was surrounded by a thick basement membrane and contained 4 axons; the axons were ensheathed in glial cells. In the oesophagus anterior to the diverticula, the intima has thickenings of dense material along its inner surface. The epithelium is vacuolated and is microvillate along the lumenal surface. Posteriorly in the oesophagus and in the ducts of the diverticula, the epithelium is flattened. The cuticle is composed of 3 layers; the intima lining the lumen, a layer which is less dense and is thickened to form spines, and a 3rd layer of nondense material which contains small, scattered fibers. The spines do not appear to have any sensory function. In the cardiac valve region, the epithelial cells are cuboidal and the cuticular lining terminates.
Evolution of a global regulator: Lrp in four orders of γ-Proteobacteria

Bacterial global regulators each regulate the expression of several hundred genes. In Escherichia coli, the top seven global regulators together control over half of all genes. Leucine-responsive regulatory protein (Lrp) is one of these top seven global regulators. Lrp orthologs are very widely distributed, among both Bacteria and Archaea. Surprisingly, even within the phylum γ-Proteobacteria (which includes E. coli), Lrp is a global regulator in some orders and a local regulator in others. This raises questions about the evolution of Lrp and, more broadly, of global regulators. We examined Lrp sequences from four bacterial orders of the γ-Proteobacteria using phylogenetic and Logo analyses. The orders studied were Enterobacteriales and Vibrionales, in which Lrp plays a global role in tested species; Pasteurellales, in which Lrp is a local regulator in the tested species; and Alteromonadales, an order closely related to the other three but in which Lrp has not yet been studied. For comparison, we analyzed the Lrp paralog AsnC, which in all tested cases is a local regulator. The Lrp and AsnC phylogenetic clusters each divided, as expected, into subclusters representing the Enterobacteriales, Vibrionales, and Pasteuralles. However the Alteromonadales did not yield coherent clusters for either Lrp or AsnC. Logo analysis revealed signatures associated with globally- vs. locally- acting Lrp orthologs, providing testable hypotheses for which portions of Lrp are responsible for a global vs. local role. These candidate regions include both ends of the Lrp polypeptide but not, interestingly, the highly-conserved helix-turn-helix motif responsible for DNA sequence specificity. Lrp and AsnC have conserved sequence signatures that allow their unambiguous annotation, at least in γ-Proteobacteria. Among Lrp orthologs, specific residues correlated with global vs. local regulatory roles, and can now be tested to determine which are functionally relevant and which simply reflect divergence. In the Alteromonadales, it appears that there are different subgroups of Lrp orthologs, one of which may act globally while the other may act locally. These results suggest experiments to improve our understanding of the evolution of bacterial global regulators.
Next Step: Responsive Multicomputer Systems

After parallel and distributed computer systems are now well established, the next step should be focused on ensuring their dependability, especially in real-time applications. I call such dependable real-time systems responsive and am convinced that the need for such systems will grow rapidly. Robotics, avionics, communication, multimedia and even point-of-sale terminals are just a few examples of an ever-expanding number of applications in which responsiveness is vital.
Oxytocics, Tocolytics, and Prostaglandins

Summary Tocolytic and oxytocic therapies are widely used in contemporary obstetric practice. The anesthesiologist is often called upon to participate in the care of patients who are receiving uterotonic medications. In addition to their effects on the myometrium, each of these drugs has direct and indirect effects on a variety of organ systems. Oxytocin stimulates the uterus to contract via changes in intracellular calcium. Its direct vasodilating and antidiuretic properties lead to the possibility of hypotension or water overload. Ergotamines used for postpartum uterine atony carry the risk of generalized vasoconstriction and hypertension that may be life threatening. Prostaglandins of both the E and F classes stimulate uterine contractions. Side effects include nausea, vomiting, diarrhea, and hyperpyrexia. The two classes differ in their hemodynamic effects: prostaglandin E leads to a decrease in SVR and blood pressure with no change or a decrease in pulmonary vascular resistance; PGF2α generates an increase in blood pressure, heart rate, cardiac output, and pulmonary vascular resistance. Prostaglandin F2α also stimulates bronchoconstriction. The most common tocolytics are β-sympathomimetics and magnesium sulfate. The side effects of β-adrenergic therapy arise from stimulation of both β1 and β2 receptors. Inotropic and chronotropic effects on the myocardium may be sufficient to cause ischemia. Pulmonary edema is associated with β-mimetic therapy. Glucose and electrolyte balance should be monitored during treatment. Magnesium sulfate decreases uterine tone probably by antagonizing calcium at the cellular level. As plasma levels increase, progressive depression of the respiratory, CNS, and cardiac systems follows. Toxic levels are more likely in the patient with renal function impairment. Calcium serves to reverse magnesium toxicity. Because of its effects at the neuromuscular junction, magnesium potentiates both depolarizing and nondepolarizing muscle relaxants. Familiarity with the range of effects of these drugs should assist the anesthesiologist in providing safe passage for the pregnant patient and her fetus from the antepartum to postpartum period.
Functional and psychiatric vestibular disorders

Behavioral factors have long been recognized as affecting spatial orientation and balance function. Neuroanatomic and neurophysiologic studies conducted worldwide over the last 30 years have substantially advanced our knowledge about the inherently strong connectivity among threat/anxiety, vestibular, visual, and somatosensory systems in the brain. Clinical investigations have shed greater light on the nature of functional and psychiatric disorders that manifest or magnify vestibular morbidity. Concepts of these syndromes have changed over 150 years. Even their nomenclature has had different meanings in different eras. This chapter will review functional and psychiatric vestibular disorders. Terminology will follow the International Classification of Diseases, 11th edition, beta draft and the International Classification of Vestibular Disorders. Anxiety plays a central role in behavioral vestibular morbidity. Anxiety, traumatic stress, obsessive, and depressive disorders may be primary causes of episodic and chronic vestibular symptoms or secondary complications of other vestibular disorders. These psychiatric illnesses affect 30-50% of patients who consult neurologists or otologists for vestibular symptoms. Coexisting psychiatric disorders adversely affect treatment for patients with structural vestibular diseases, especially when unrecognized. Persistent postural-perceptual dizziness is the leading cause of long-term vestibular disability. Fortunately, pharmacologic, psychotherapeutic, and rehabilitative treatments of these illnesses have improved in recent years.
Framing the foundations of computing using computer simulation

The foundations of computer science (Aho and Ullman 1994) are generally considered to have begun with the pioneering work of mathematicians such as Turing, Kleene, and Post beginning in the 1930s. The field is constructed primarily from discrete mathematics, including formal logic. Defining computer science in this way makes it difficult to view computing as a science in the strong sense of a science being a set of related disciplines involving observation of nature. However, computer science is a science in the way in which Simon (1996) characterizes the field.
Incidental Finding of an Aorto-Right Atrial Fistula in a Patient Undergoing Repair of a Sinus of Valsalva Aneurysm.

A sinus of Valsalva aneurysm is a rare malformation of the aortic root that can fistulize to another cardiac structure such as the right atrium. Although transthoracic echocardiography and computed tomography angiography have demonstrated utility for the diagnosis of a sinus of Valsalva-to-right atrial fistula, there are few cases where a misdiagnosis may occur. Intraoperative transesophageal echocardiography may be an essential imaging tool for the diagnosis and management of incidental findings such as a sinus of Valsalva-to-right atrial fistula during cardiac surgery, and should be used routinely.
Singularities of Second-Order Implicit Differential Equations: A Geometrical Approach

A second-order implicit differential equation R (x,y,\frac{dy}{dx},\frac{d^2y}{dx^2}) = 0 is an equation for which the second derivative cannot be written as a single-valued function of x, y, and the first derivative \frac{dy}{dx} = p. Such an equation defines a direction field in the space of 1-jets (x,y,p), but the existence and uniqueness of a direction at a point may not hold. Singularities can arise in a number of ways, and we examine the equation and its solution curves near the simplest of these singularities.
Facile synthesis of high specific activity 4-[1-14C]butyl-1,2-diphenylpyrazolidine-3,5-dione (phenylbutazone) using nucleophilic substitution

Metabolism, environmental fate, and low concentration food residue studies would be facilitated by the use of radiolabeled test articles that can be readily quantified within complex matrices. However, radiochemical approaches for such studies require high specific activities to allow analytical detection of correspondingly low masses of test article. The synthesis of high specific activity (>50 μCi/μmol) [14 C]-radiolabeled phenylbutazone presents a challenge using existing methodology, mainly due to the low solvent volumes required and vigorous refluxing needed to close the pyrazolidinedione ring. Herein, we report on the significant modification of an existing method that allows the synthesis of low masses of high specific activity (>50 μCi/μmol) [14 C]-phenylbutazone under mild conditions with simple purification and high yield. The closure of the pyrazolidinedione ring of 1,2-diphenyl-3,5-pyrazolidinedione was accomplished as a first step with unlabeled 1,2-diphenylhydrazine and diethyl malonate in 32% yield under gram-scale conditions, which avoided the challenges of low solvent use and vigorous refluxing. Low mass of high specific activity n-[1-14 C]-butyl bromide was then added via a nucleophilic substitution reaction as a final step. Yields ranged from 65% to 92% during multiple synthetic attempts with unlabeled butyl bromide and were greatly influenced by reaction stoichiometry and the selection of base.
Automatic emotion detection in text streams by analyzing Twitter data

Techniques to detect the emotions expressed in microblogs and social media posts have a wide range of applications including, detecting psychological disorders such as anxiety or depression in individuals or measuring the public mood of a community. A major challenge for automated emotion detection is that emotions are subjective concepts with fuzzy boundaries and with variations in expression and perception. To address this issue, a dimensional model of affect is utilized to define emotion classes. Further, a soft classification approach is proposed to measure the probability of assigning a message to each emotion class. We develop and evaluate a supervised learning system to automatically classify emotion in text stream messages. Our approach includes two main tasks: an offline training task and an online classification task. The first task creates models to classify emotion in text messages. For the second task, we develop a two-stage framework called EmotexStream to classify live streams of text messages for the real-time emotion tracking. Moreover, we propose an online method to measure public emotion and detect emotion burst moments in live text streams.
Severe Plasmodium falciparum Malaria Treated With Investigational Artesunate in the United States.

Purpose:We describe here the case of a 40-year-old Nigerian male with severe Plasmodium falciparum malaria successfully treated with investigational intravenous (IV) artesunate.Summary:A 40-year-ol...