cssi/SciSciGPT-SciSciNet huggingface dataset:
What simulation can do to the statistics and design course

The increasing appearance of an integrated statistics and research design course is noted, and the use of computer simulation in such a course is discussed. Four different kinds of courses are suggested: the problem set course, the demonstration labs course, the design-your-own course, and the “research community” course. Example simulations are discussed for each course.
Design of Protein Sequences which Fold into Secondary Structures using an Explicit Solvent Model

The folding of proteins into helices and beta sheets has been investigated for the past five decades. To date, there has not been a thorough understanding of the physics behind this. Theoretical predictions by Zimm and Bragg give us some information but many studies have revealed contradicting results. For example short chain polyalanine, which according to Zimm and Bragg should form a random coil forms an unusually stable helix in solution and some peptides which have a low propensity for helix formation according to the theory tend to form stable helices. In the current work we seek the helix and beta sheet forming properties of individual short peptides using a simplistic model with explicit solvent through Monte Carlo simulations. The protein back bone and side chains are represented as either hard spheres (hydrophobic) or Jagla particles (hydrophilic) in a Jagla solvent. The helix and beta sheet forming tendencies are studied while varying the chain length, backbone sequence, size of the side group and the strength of the interactions.
Symmetric division versus asymmetric division: a tale of two coactivators.

The decision for a stem cell to undergo a symmetric versus an asymmetric differentiation is probably the most critical cellular decision process in adults, as it probably underlies a large array of diseases, is associated with a decrease in tissue maintenance/homeostasis and the ability to repair properly, may mediate pathological processes such as cancer, fibrosis and neurodegeneration, and may be the underlying problem associated in general with aging. Interestingly and importantly, the decision to divide asymmetrically or symmetrically may be the major fundamental intrinsic difference between normal somatic stem and cancer stem cells. Based upon work done primarily in our laboratory over the past 10 years (both published and unpublished data), the article provides perspective on the critical importance of symmetric versus asymmetric divisions and the role of differential usage of the highly homologous coactivators Creb-binding protein (CBP) or p300 in the Wnt/catenin signaling cascade in stem cells and...
A combined Event-Driven/Time-Driven molecular dynamics algorithm for the simulation of shock waves in rarefied gases

A novel combined Event-Driven/Time-Driven (ED/TD) algorithm to speed-up the Molecular Dynamics simulation of rarefied gases using realistic spherically symmetric soft potentials is presented. Due to the low density regime, the proposed method correctly identifies the time that must elapse before the next interaction occurs, similarly to Event-Driven Molecular Dynamics. However, each interaction is treated using Time-Driven Molecular Dynamics, thereby integrating Newton's Second Law using the sufficiently small time step needed to correctly resolve the atomic motion. Although infrequent, many-body interactions are also accounted for with a small approximation. The combined ED/TD method is shown to correctly reproduce translational relaxation in argon, described using the Lennard-Jones potential. For densities between @r=10^-^4kg/m^3 and @r=10^-^1kg/m^3, comparisons with kinetic theory, Direct Simulation Monte Carlo, and pure Time-Driven Molecular Dynamics demonstrate that the ED/TD algorithm correctly reproduces the proper collision rates and the evolution toward thermal equilibrium. Finally, the combined ED/TD algorithm is applied to the simulation of a Mach 9 shock wave in rarefied argon. Density and temperature profiles as well as molecular velocity distributions accurately match DSMC results, and the shock thickness is within the experimental uncertainty. For the problems considered, the ED/TD algorithm ranged from several hundred to several thousand times faster than conventional Time-Driven MD. Moreover, the force calculation to integrate the molecular trajectories is found to contribute a negligible amount to the overall ED/TD simulation time. Therefore, this method could pave the way for the application of much more refined and expensive interatomic potentials, either classical or first-principles, to Molecular Dynamics simulations of shock waves in rarefied gases, involving vibrational nonequilibrium and chemical reactivity.
Blood compatibility of biomaterials: further evaluation of the Lindholm test.

The Lindholm test, a modified whole blood clotting time test designed to permit estimation of the blood compatibility of biomaterials, has been analyzed statistically with regard to sources of variance and desired sample sizes. Of five materials tested for compatibility with blood, only Cuprophane had an among-donor component of variance significantly different from zero. Analysis indicated that, under certain conditions, performance of 11 Lindholm tests upon each of two materials can be expected to furnish sufficient data for an observed average difference of 5 min in clotting time to be significant at the 5% level; performance of 36 pairs of tests gives a 98% probability of detecting a true difference of 5 min when testing at the 5% level of significance.
Abnormal, mesoionic and remote N-heterocyclic carbene complexes

Abstract Three different structural classes of NHC ligands can be distinguished: normal (nNHC), abnormal (aNHC), alternatively called mesoionic (MIC), and remote (rNHC). General principles, synthetic strategies as well as recent results in the area of transition metal complexes of aNHC/MICs and rNHCs are discussed. The special properties of aNHC/MICs are discussed including their somewhat debateable status as true carbenes in the full sense of the term, as contrasted with their close analogy with nNHCs in the bound state. Some applications to catalysis are included and future prospects outlined.
Update on the pathophysiology and management of uric acid renal stones.

Idiopathic uric acid nephrolithiasis appears to be increasing in prevalence. While it has long been known that low urine pH is associated with uric acid stones, only recently has the pathophysiological basis for this disease emerged. Excessively acidic urine is the decisive risk for uric acid lithogenesis, and patients with diabetes and the metabolic syndrome often hold the company of low urine pH. While association does not imply causation, interesting insights have been made regarding insulin’s influence on acid-base physiology. We review recent evidence from both the molecular and clinical realms to underline the importance of [H+] in the development and treatment of uric acid nephrolithiasis.
The role of surgery in the management of isolated metastases to the pancreas

Summary Metastasectomy with curative intent has become standard practice for the management of some malignancies. Resection of isolated metastatic colorectal cancer, gastrointestinal stromal tumours, neuroendocrine cancers, renal-cell cancer and sarcoma is associated with longer survival or even cure. The strongest evidence in favour of metastasectomy exists for colorectal cancer, in which resection of limited metastatic disease in some patients is associated with 5-year survival rates of more than 50%. 1–3 High incidence of the disease, predictable tumour biology, and development of successful chemotherapies have encouraged metastasectomy. Furthermore, improved safety of complex surgeries over the past several decades has lowered the threshold for more aggressive surgical intervention. Most literature on metastasectomy pertains to the resection of disease involving the liver, lung, and brain. However, metastasectomy has been described for almost every organ system, including the pancreas. In this Review, we discuss resection of isolated cancer metastases to the pancreas. Pancreatic metastasectomy is most often done through a formal pancreatic resection such as pancreaticoduodenectomy or distal pancreatectomy. Less often, pancreatic metastasectomy is done by enucleation or a pancreas sparing operation such as a central pancreatectomy.
Testing of the Tropically Excited Arctic Warming Mechanism (TEAM) with Traditional El Niño and La Niña

AbstractBy analyzing El Nino and La Nina composites with 40-yr European Centre for Medium-Range Weather Forecasts (ECMWF) Re-Analysis (ERA-40) data, evidence is presented here that the surface air temperature of the Arctic winter (December–February) is anomalously warm during La Nina and cold during El Nino. Surface and top-of-the-atmosphere energy fluxes were used to calculate the composite zonal-mean poleward moist static energy transport. The result shows that the La Nina warming in the Arctic is associated with an increased poleward energy transport in the extratropics. The opposite characteristics are found for El Nino. Because the total tropical convective heating is more localized during La Nina than El Nino, these findings suggest that the Arctic surface air temperature anomalies associated with ENSO may be attributed to the tropically excited Arctic warming mechanism (TEAM). In the tropics, consistent with previous studies, the anomalous poleward energy transport is positive during El Nino and ne...
Microtribology of metal particle, barium ferrite and metal evaporated magnetic tapes

Abstract Atomic force microscopy and friction force microscopy have been used to conduct microtribological studies on high-coercivity metal particle (MP), barium ferrite and metal evaporated (ME) tapes which are being developed for ultra high-density magnetic recording. Microfriction, microscratching, microwear and nanoindentation hardness of all tapes have been measured. For comparisons, macrofriction measurements were also made. We find that macro- and microscale friction values of all tapes are comparable with each other. ME tapes are harder and more scratch and wear resistant than the MP and barium ferrite tapes. However, at high enough load or at larger number of cycles, magnetic film of the ME tape breaks up catastrophically unlike particulate tapes. Thus, ME tape may be less desirable from a tribological viewpoint unless it can be well lubricated topically and/or be made more ductile to minimize the probability of catastrophic failure. We have also observed the cracking near the slit edges of the ME tape which may result in the debris generation during use.
Bicubic patch surfaces for high-speed numerical control processing

Parametric bicubic patch surfaces have been used for some time in manufacture and design. It is convenient to have such surfaces available as standard numerical control surfaces using the APT programming language. A major drawback is that they are costly to use for data processing of numerical control programs. If, however, nonparametric bicubics are used, computer time, and hence cost, can be reduced dramatically. This paper details a strategy and algorithms for this purpose. Experimental data suggest that computer costs are comparable to, or somewhat lower than, the costs for processing tabulated cylinder surfaces.
Analysis of free damped vibration of laminated composite plates and shells

Abstract Equations are derived which describe the free damped vibrations of plates and shells made of laminated fiber-reinforced, organic-matrix composites. A finite element method is developed for obtaining solutions to these equations. A computer code is written, which can be used to calculate the natural frequencies, mode shapes, and damping factors of rectangular plates, cylinders, and cylindrical panels with free, clamped, or simply supported edges, and with or without circular cutouts. Natural frequencies and mode shapes calculated by the code for isotropic and composite plates, cylinders, and cylindrical panels are compared with previous analytical, numerical, and experimental results. The results of the present study agree closely with those reported by previous investigators.
Cortical ultrastructure of freeze-substituted protonemata of the moss Funaria hygrometrica

The ultrastructural organization of the cortical cytoplasm has been examined in caulonemata, branches and buds of the mossFunaria hygrometrica, which were prepared by rapid freeze-fixation and freeze-substitution (FS). The same structural components occur in the cortex of all three cell types: microtubules (MTs), endoplasmic reticulum (ER), coated and uncoated vesicles, coated pits, and dictyosomes. However, the configuration and density of the cortical ER varies between the three. Caulonemata have an open, polygonal network of ER associated with long MTs oriented mostly parallel to the length of the cell. Lamellar ER, covered with polysomes, is interspersed in the network. Branches have a more tightly arranged ER network, at places occurring in a thick layer, and occasional polysome-decorated lamellae. MTs, which extend to the tip of the branch, are oriented mainly parallel to the cell's long axis and are associated with the cortical ER. Buds have the tightest ER network, which is frequently arranged in a thick layer. Tubules in the polygonal ER of buds are densely covered with ribosomes, whereas tubules in the ER network of caulonemata and branches range from nearly smooth to moderately rough. Closely-spaced ER lamellae, with many polysomes, occur in some buds. The MTs of buds extend into the apical dome and are associated with the cortical ER, but are more randomly oriented than in caulonemata or branches. Close appositions between the ER and PM are observed in all three cells, but are more frequent in buds.
Influence of midsole ‘actuator lugs’ on running economy in trained distance runners

Introduction: Previous investigations reported the influence of running shoe design on running economy (RE) and determined that both shoe weight and midsole properties (hardness, stiffness, comfort) can alter RE. External forefoot actuator lugs have been reported to provide enhanced energy return during shoe mechanical testing, but it was unclear if this design feature would provide any improvement of RE. The current investigation measured the effects of external forefoot actuator lugs on RE in 12 highly-trained male distance runners during four submaximal running velocities. Methods: All runners voluntarily completed a maximal graded exercise treadmill protocol followed 5–7 days later by eight randomised 6 min submaximal level-grade treadmill runs with two randomised footwear conditions (WL = with lugs, WOL = without lugs). Oxygen consumption, heart rate (HR), rating of perceived effort (RPE), and sagittal plane high-speed video were collected. RE (metres run per millilitre O2 per kg of body mass), stanc...
Evolution of cellular antigens in Columbidae.

Experiments performed in this laboratory have revealed the complex serological interrelationships of the cellular antigens of a number of species of pigeons and doves (Irwin, 1951; 1953). The studies have shown that red blood cells from the respective species share antigens in common and that they also possess antigens to the exclusion of those found in the cells of one or more other species. It has been demonstrated that the cellular antigens which contrast the different species include several serologically distinct components each of which is determined by a single gene or two or more closely linked genes (Irwin and Cole, 1936; Irwin and Cumley, 1947; Irwin, Cole and Gordon, 1936). The cellular antigens of a particular species may be serologically related to, or identical with, the antigens of one or more other species. The red blood cell antigens ch-1 of Streptopelia chinensis, hu-1 of St. humtilis, or-1 of St. orientalis, se-1 of St. senegcalensis and E of Colutmbia guinea comprise a serologically cross-reactive group (Irwin and Cole, 1940; Stimpfling and Irwin, 1960 and Irwin, unpublished data). In previous papers ch-1 was called d-1, and se-1 was s-2. Evidence has been obtained for the antithetical relationship of the antigens ch-1, or-1, se-1 and probably hu-1
A flexible alternative to the Cox proportional hazards model for assessing the prognostic accuracy of hospice patient survival.

Prognostic models are often used to estimate the length of patient survival. The Cox proportional hazards model has traditionally been applied to assess the accuracy of prognostic models. However, it may be suboptimal due to the inflexibility to model the baseline survival function and when the proportional hazards assumption is violated. The aim of this study was to use internal validation to compare the predictive power of a flexible Royston-Parmar family of survival functions with the Cox proportional hazards model. We applied the Palliative Performance Scale on a dataset of 590 hospice patients at the time of hospice admission. The retrospective data were obtained from the Lifepath Hospice and Palliative Care center in Hillsborough County, Florida, USA. The criteria used to evaluate and compare the models' predictive performance were the explained variation statistic R2, scaled Brier score, and the discrimination slope. The explained variation statistic demonstrated that overall the Royston-Parmar family of survival functions provided a better fit (R2 = 0.298; 95% CI: 0.236–0.358) than the Cox model (R2 = 0.156; 95% CI: 0.111–0.203). The scaled Brier scores and discrimination slopes were consistently higher under the Royston-Parmar model. Researchers involved in prognosticating patient survival are encouraged to consider the Royston-Parmar model as an alternative to Cox.
Aquarius' Object-Oriented, plug and play component-based flight software

The Aquarius mission involves a combined radiometer and radar instrument in low-Earth orbit, providing monthly global maps of Sea Surface Salinity. Operating successfully in orbit since June, 2011, the spacecraft bus was furnished by the Argentine space agency, Comision Nacional de Actividades Espaciales (CONAE). The instrument, built jointly by NASA's Caltech/JPL and Goddard Space Flight Center, has been successfully producing expectation-exceeding data since it was powered on in August of 2011. In addition to the radiometer and scatterometer, the instrument contains an command & data-handling subsystem with a computer and flight software (FSW) that is responsible for managing the instrument, its operation, and its data.
Formal structure of kinetic theory

We study the Liouville equation in the domain of small deviations from absolute equilibrium. The solution is expressed in terms of amplitudes ofn-body additive functions which are orthogonal with respect to the Gibbs weight factor. In the memory operator approach the memory operators are formally exact continued fractions. We show that with the isolation in the Liouville operator of a one-body additive operatorLo, any memory operator can be written alternatively as an exact infinite series, each term of which can be calculated exactly. This yields improvements of the dressed particle approximation. We discuss the choice ofLo, which is in general time dependent. The theory is developed both for smooth potentials and for hard spheres, where we use pseudo-Liouville operators. The theory can be formulated in an equivalent manner by introducing modified cumulant distributions, which are closely related to the amplitudes. The modified cumulants have the same spatial asymptotic properties as ordinary cumulants, but have superior short-time and small-distance behavior.
Genetic evaluation for coronary artery disease.

There is substantial evidence that genetic factors contribute to coronary artery disease (CAD). Currently, family history collection and interpretation is the best method for identifying individuals with genetic susceptibility to CAD. Family history reflects not only genetic susceptibility, but also interactions between genetic, environmental, cultural, and behavioral factors. Stratification of familial risk into different risk categories (e.g., average, moderate, or high) is possible by considering the number of relatives affected with CAD and their degree of relationship, the ages of CAD onset, the occurrence of associated conditions, and the gender of affected relatives. Familial risk stratification should improve standard CAD risk assessment methods and treatment guidelines (e.g., Framingham CAD risk prediction score and Adult Treatment Panel III guidelines). Individuals with an increased familial risk for CAD should be targeted for aggressive risk factor modification. Individuals with a high familial risk might also benefit from early detection strategies and biochemical and DNA-based testing, which can further refine risk for CAD. In addition, individuals with the highest familial risk might have mendelian disorders associated with a large magnitude of risk for premature CAD. In these cases, referral for genetic evaluation should be considered, including pedigree analysis, risk assessment, genetic counseling and education, discussion of available genetic tests, and recommendations for risk-appropriate screening and preventive interventions. Research is needed to assess the feasibility, clinical validity, clinical utility, and ethical, legal, and social issues of an approach that uses familial risk stratification and genetic evaluation to enhance CAD prevention efforts.
Structure development in melt spinning filaments from polybutylene terephthalate based thermoplastic elastomers

Structure development in polybutylene terephthalate (PBT) and thermoplastic elastomers (TPEs) based on PBT during the melt spinning process was investigated. Melt spun filaments were examined using wide angle X-ray diffraction and birefringence. Crystalline orientation was characterized in terms of Hermans-Stein orientation factors. Crystalline orientation and birefringence were found to correlated with spinline stress better than drawdown ratio. Crystalline orientation development was strongly dependent on spinline stress. The TPEs with low PBT content had low birefringence although the crystalline orientation was often high.
Tracking Epidemics With Google Flu Trends Data and a State-Space SEIR Model

In this article, we use Google Flu Trends data together with a sequential surveillance model based on state-space methodology to track the evolution of an epidemic process over time. We embed a classical mathematical epidemiology model [a susceptible-exposed-infected-recovered (SEIR) model] within the state-space framework, thereby extending the SEIR dynamics to allow changes through time. The implementation of this model is based on a particle filtering algorithm, which learns about the epidemic process sequentially through time and provides updated estimated odds of a pandemic with each new surveillance data point. We show how our approach, in combination with sequential Bayes factors, can serve as an online diagnostic tool for influenza pandemic. We take a close look at the Google Flu Trends data describing the spread of flu in the United States during 2003–2009 and in nine separate U.S. states chosen to represent a wide range of health care and emergency system strengths and weaknesses. This article h...
Multiple Measures of Outcome in Assessing a Prison-Based Drug Treatment Program

Abstract Evaluations of prison-based drug treatment programs typically focus on one or two dichotomous outcome variables related to recidivism. In contrast, this paper uses multiple measures of outcomes related to crime and drug use to examine the impact of prison treatment. Crime variables included self-report data of time to first illegal activity, arrest type, and number of months incarcerated. Days to first reincarceration and type of reincarceration are based on official records. Drug use variables included self-report data of the time to first use and drug testing results. Prisoners randomly assigned to treatment performed significantly better than controls on: days to first illegal activity, days to first incarceration, days to first use, type of reincarceration, and mean number of months incarcerated. No differences were found in type of first arrest or in drug test results. Subjects who completed both prison-based and community-based treatment performed significantly better than subjects who rece...
Effects of polymorphism and influence of sample preparation on the infra-red spectrum of estradiol-17β

Abstract It was shown by infra-red absorption spectra and X-ray diffraction powder patterns that estradiol-17β can exist in the amorphous form and in at least four different crystalline modifications with a common melting-point. It was also shown that these modifications are selectively interconvertible by various degrees of thermal and/or mechanical agitation. This property is disturbing in the various infra-red solid-state sampling techniques, which involve grinding, pressing, and heating, since it may lead to the spectrum of a different crystal form or to a mixed spectrum. X-ray diffraction patterns obtained from finely ground powders may suffer from the same effect. Thermal and mechanical conversion of several modifications into one common crystal form may prevent recognition of polymorphism by means of melting-point determinations or X-ray diffraction. Drastically different modes of hydrogen bonding characterize the infra-red spectra of the different modifications. Discussion of the spectra and band assignments are given.
Finiteness of moments of certain distributions and applications

Let F and G be the distribution functions of positive, continuous random variables X and Y, where EX < ~, G' is monotone and P(t) = e^-^K^G^(^t^), K @? (0, ~), satisfies P(t) = e^-^@l^t+(P*F)(t)@l @? (0, ~), where (P*F)(t) = @!"0^tP(t-x)dF(x). We show that E(Y^n^-^1) < ~ @?E(X^n) < ~. As an application we prove that the duration of a busy cycle of an M/G/~ queuing network has a finite nth moment if its service time has a finite nth moment.
Placing the Mnemonic Model in Context: Diagnostic, Theoretical, and Clinical Considerations.

The mnemonic model of posttraumatic stress disorder (PTSD) proposed by D. C. Rubin, D. Berntsen, and M. K. Bohni presents some provocative and potentially insightful ideas about this mental disorder. D. C. Rubin et al. suggested that PTSD is caused and maintained through a "pathogenic memory" (D. C. Rubin et al., 2008, p. 985) of a negative event rather than by exposure to a traumatic event per se. The present authors examine the mnemonic model in the context of relevant diagnostic, theoretical, and clinical considerations. Specifically, to evaluate the arguments and evidence provided in support of the mnemonic model of PTSD, the present authors focus on 4 issues: (a) problems inherent with comparing a theoretical model (i.e., the mnemonic model) with a diagnostic model (i.e., the DSM-IV-TR model), (b) problems with not comparing the mnemonic model with relevant cognitive and memory models of PTSD, (c) problems with the degree to which the research reviewed provides support for the mnemonic model, and (d) concerns that memory in PTSD is confounded with the basic disorder, rather than causing PTSD. The present authors conclude with suggestions for future theory and research to help differentiate between memory's role in the origins of PTSD and memory's role in the clinical course of the disorder.
An algorithm for determining smooth, continuous pressure derivatives from well-test data

In this paper an algorithm for determining pressure-derivative functions from measured well-test data is presented. The pressure data are fit with a spline function that can account for curve shape constraints. The first and second derivatives of the resulting spline function are calculated analytically and can be used for type-curve matching. Two example illustrate the performance of the algorithm.
Synthesis of normal and variant human hypoxanthine-guanine phosphoribosyltransferase in Escherichia coli

Naturally occurring mutations in hypoxanthine-guanine phosphoribosyltransferase (HPRT) have been identified by amino acid sequencing, cDNA cloning, and direct nucleotide sequencing of PCR-amplified transcripts. To determine the effect these mutations have on the catalytic properties of the molecule, knowledge of the three-dimensional structure of HPRT is required. A prerequisite for this, however, is the availability of a large amount of purified product for crystallization and x-ray diffraction analysis. For these reasons we have developed an effective means of producing high levels of human HPRT in Escherichia coli using the expression cassette PCR. By taking advantage of a T7 polymerase/promoter system, we have expressed both normal and variant human hprt sequences in E. coli. The proteins synthesized from these sequences are immunologically and enzymatically active, and are physically indistinguishable from the HPRT in B-lymphoblasts derived from normal and three HPRT-deficient subjects.
ACES Corner [AECS 2012 IEEE Fellows]

The Applied Computational Electromagnetics Society (AECS) lists its new class of 2012 IEEE Fellows.
Ion momentum and energy transfer rates for charge exchange collisions

The rates of momentum and energy transfer have been obtained for charge exchange collisions between ion and neutral gases having arbitrary Maxwellian temperatures and bulk transport velocities. The results are directly applicable to the F-region of the ionosphere where 0+ - 0 charge is the dominant mechanism affecting ion momentum and energy transfer.
Oxidation of 4-alkylphenols and catechols by tyrosinase: ortho-substituents alter the mechanism of quinoid formation.

Abstract Numerous phenols and catechols are known to be substrates for tyrosinase. While the catalytic mechanism of phenol oxidation by tyrosinase has been well studied, little work has been done to determine the influence of substituents on the reaction. In the present investigation, we explored the effects of changing substituents at the 2 and 6 position on the mechanism of tyrosinase-catalyzed oxidation of 4-allyl and 4-propylphenols and catechols. We have previously demonstrated that tyrosinase initially oxidizes hydroxychavicol (4-allyl-catechol) to an o -quinone (3,5-cyclohexadien-1,2-dione) which because of the relatively acidic protons in the benzyl position, readily isomerizes to the tautomeric p -quinone methide (4-allylidene-2,5-cyclohexadien-1-one, QM) (Bolton et al., 1994). We have confirmed through GSH trapping studies that oxidation of 4-allylphenol by tyrosinase yields the same o -quinone GSH conjugates as hydroxychavicol. In contrast, the presence of additional ortho substituents dramatically alters the mechanism of tyrosinase-catalyzed oxidation of 4-alkylphenols. For example, eugenol (4-allyl-2-methoxyphenol), which possesses 1 ortho -methoxy substituents, is not oxidized to a o -quinone or a QM. However, when both ortho positions are substituted with methoxy groups, direct tyrosinase-catalyzed QM formation is observed. The identity of the 4-allyl-2,6-dimethoxyphenol-QM was confirmed by CDCl 3 extraction of the post incubate and characterization of the QM by 1 H-NMR. Finally, the oxidation rates were determined by following the appearance of either the o -quinone or the QM spectrophotometrically or by monitoring increases in the GSH trapped conjugates by HPLC. The data showed that the tyrosinase-catalyzed rates of oxidation decreased in the following order; hydroxychavicol > 4-allylphenol > 4-allyl-6-methoxycatechol > 4-allyl-2,6-dimethoxyphenol ⪢ eugenol (no quinoids detected). These results show that changes in the substituents ortho to the phenolic hydroxy group not only lead to an alteration in the mechanism and type of quinoid formed, there is also a dramatic substituent effect on the rate of tyrosinase oxidation.
Influence of hot rolling on the deformation behavior of particle reinforced aluminum metal matrix composite

Abstract This paper presents the development of a microstructure based finite element model to predict the effective mechanical response and study the failure mechanisms of a particulate metal matrix composite (MMC) which explicitly accounts for changes in microstructure due to thermo-mechanical processing from the as-cast to rolled states. Experimental testing including macro-scale tension, in-situ SEM micro-scale tension, and nano-indentation were used to characterize the deformation behavior and active failure mechanisms. It was found that the damage mechanism transitions from being dominated by void nucleation and growth in the matrix in the as-cast state to interfacial decohesion and particle fracture in the rolled material. The numerical model is used to quantify the contribution of interfacial decohesion and particle fracture damage mechanisms to the local and global continuum response of a hot rolled A359/pSiC MMC.
Ethogenic Theory and Psychoanalysis: The Unconscious as a Social Construction and a Failed Explanatory Concept

Etude du statut rationnel et moral du concept freudien d'inconscient a la lumiere de la theorie ethogenique, fondee sur la theorie de la variete des philosophies realistes des sciences developpee par Harre. Violant la logique des pouvoirs causaux, l'A. montre que le postulat de l'inconscient est impropre a la construction sociale de la realite psychologique et qu'il aboutit a une forme d'autoritarisme hermeneutique
Pathological Upstaging During Radical Cystectomy Is Associated With Worse Recurrence-free Survival in Patients With Bacillus Calmette-Guerin-refractory Bladder Cancer

OBJECTIVES To compare the outcomes of patients who were upstaged to pT2 at the time of radical cystectomy (RC) to those who were correctly staged as T2 before RC. METHODS The clinical and pathologic data were reviewed of 496 patients who underwent RC from 1994 to 2008. Patients who underwent RC for high-grade T1 (HGT1) or carcinoma in situ (CIS) (184) were compared with those with known muscle-invasive cancer (312) before RC. Patients were substratified based on preoperative intravesical therapy status. Recurrence-free survival (RFS) for patients who were upstaged to muscle-invasive disease was compared with patients who were correctly staged T2 preoperatively. RESULTS Patients who were upstaged to pT2 disease had significantly worse 3- and 5-year RFS compared with those who where accurately staged (cT2 = pT2) (64% and 61% vs 83% and 74%, respectively; P = .04). Upstaging to pT2 in patients with a history of bacillus Calmette-Guerin treatment resulted in worse 3- and 5-year RFS rates compared with those accurately staged (69% and 57% vs 100% and 86%, respectively; P = .03). CONCLUSIONS Upstaging to pT2 among patients with HGT1 or CIS is associated with worse RFS compared with patients with known muscle invasion before RC (HGT1/CIS = pT2 vs cT2 = pT2). This finding was most significant among patients with a history of bacillus Calmette-Guerin treatment. Factors such as understaging of disease or treatment delay may contribute to worse outcomes among this subset of patients and should be considered when discussing treatment options.
Interaction of the nuclear matrix protein NAKAP with HypA and huntingtin: implications for nuclear toxicity in Huntington's disease pathogenesis.

Although expansion of a polyglutamine tract in the huntingtin protein is known to cause Huntington’s disease (HD), there is considerable debate as to how this mutation leads to the selective neuronal loss that characterizes the disease. The observation that mutant huntingtin accumulates in neuronal nuclei has led to the hypothesis that the molecular mechanism may involve the disruption of specific nuclear activities. Recently, several nuclear interaction partners for huntingtin have been identified, including HypA, a splicing factor-like protein of unknown function. Using a yeast two-hybrid screen, we have identified the interaction of HypA with the nuclear scaffold protein NAKAP. Interaction of NAKAP with HypA is specific and occurs both in yeast and in vitro. Deletion-mapping studies indicate that binding occurs via a proline-rich domain in NAKAP with a WW domain of HypA. In cultured cells, NAKAP and HypA localize within the nucleus and copurify with the nuclear matrix. Furthermore, NAKAP associates with HypA from human brain and copurifies with huntingtin protein in brain tissue obtained from HD patients. In HD neurons, NAKAP and mutant huntingtin were colocalized to the nuclear matrix and were found to be components of nuclear aggregates. Hence, the NAKAP-HypA scaffold is a potential nuclear docking site for huntingtin protein and may contribute to the nuclear accumulation of huntingtin observed in HD.
Über die Gitterdimensionen des Niobs, des Tantals und einiger Niobate und Tantalate

Die Gitterkonstanten des Niobs und des Tantals sowohl als auch des NaNbO3, NaTaO3, KNbO3 und KTaO3 wurden bestimmt.
The Politics of Class, Race, and Gender: Access to Higher Education in the United States, 1960-1986

This article, synthesizing the available (published and unpublished) evidence, describes patterns of inclusion of African-Americans, women, and working-class youth into the system of higher education from 1960 to 1986. Focusing not only on whether access has increased, but on whether these subordinate groups have gained access to elite institutions, this article examines the three groups in and across two periods (1960-76; 1976-86) to highlight differential patterns of access and to suggest a plausible explanation involving political mobilization to account for the observed trends. Although the general expansion of the system of higher education since 1960 has led to reduced differentials in access between dominant and subordinate groups, women and blacks--who mobilized--were able to gain access even to elite institutions. Workingclass youth did not experience such gains. A key factor that mediates these benefits of political mobilization is the recognition of the group as an official category in the soci...
An evaluation of potential natural disaster response using the National Polar-orbiting Operational Environmental Satellite System (NPOESS)

As the 21st century begins, the number of natural disasters effecting populated areas has seen a dramatic increase. The cause of this increase can be attributed to a variety of factors including global climatic change, an increase in global population, and a related increase in the use of lands more vulnerable to natural disaster events. Timely monitoring and warning of natural disaster events is critical to our ability to respond to and recover from these disasters. The National Polar-orbiting Operational Environmental Satellite System (NPOESS) is the next generation of environmental satellites to study the Earth and its climate. It will provide a significant increase in the ability to monitor and respond to disaster events by increasing temporal resolution and decreasing the timeline required for information to be accessible to ground stations. This paper will present an introduction to NPOESS and discuss its potential utility in natural disaster monitoring and response efforts in combination with state of the art data mining techniques.
A Mössbauer investigation of zirconium distribution and diffusion in ball milled nanocrystalline iron powders

Ball milled nanocrystalline iron with minor zirconium additions was examined using 57Fe Mossbauer spectroscopy and X-ray diffraction. Powder samples were synthesized using 0, 5, and 10 wt.% zirconium additions and milled at room temperature for periods up to 24 h. Progressive decrease in grain size as determined by X-ray diffraction was observed as a function of milling time. Mossbauer spectroscopy indicates increased iron-zirconium coordination with increased milling time. After milling, the powder samples were then heat treated in an inert atmosphere of argon at up to 925 K for various times up to 25 min. Analysis of X-ray peak line width (FWHM) was used to characterize grain size and grain growth kinetics as a function of heat treatment, milling time, and alloy content and reveal an increasingly finer post-heated structure in the alloy samples containing more zirconium. Mossbauer measurements were made and suggest Zr is steadily distributed into the Fe lattice with milling and rapidly diffuses to the grain boundaries with heat treatment. The impurity-rich grain boundaries appear to considerably stabilize the refined structure.
Theoretical studies of heterogeneous reaction mechanisms relevant for stratospheric ozone depletion

Aspects of the heterogeneous reaction HCI + ClONO{sub 2} {r{underscore}arrow} Cl{sub 2} + HNO{sub 3} on ice and N{sub 2}O{sub 5} + H{sub 2}O {r{underscore}arrow} 2 HNO{sub 3} on supercooled water are modeled via electronic-structure calculations involving reactant-water cluster systems. Reaction-path calculations for a HCI {sm{underscore}bullet} (H{sub 2}O){sub 9} system indicate a coupled proton-transfer (PT)/nucleophilic attack (S{sub N}2) process, in which the ice lattice is an active participant. Analysis of the N{sub 2}O{sub 5} {sm{underscore}bullet} (H{sub 2}O){sub 4} reaction system geometry and charge distribution suggests that a similar coupled PT/S{sub N}2 mechanism could occur in a larger system.
Comments on the Measurement of Halo

The most frequently used measures of halo are based on interdimension correlations (the correlation, or r, measure) or within-ratee variability across dimensions (the standard deviation, or SD, mea...
Pseudospectral motion planning techniques for autonomous obstacle avoidance

We consider the problem of generating minimum- time trajectories for autonomous vehicles. Shapes of arbitrary number, size and configuration are modeled in the form of path constraints in the resulting constrained nonlinear optimal control problem. Pseudospectral techniques are used to solve the problem. Solutions are obtained within a few seconds even under a MATLAB environment running on legacy computer hardware. The method is tested under various obstacle environments, and the optimality of the computed trajectories is verified by way of the necessary conditions.
Analysis of EUV data from implosions of aluminum wire arrays on 1 MA university-scale generators

EUV spectroscopy is a feasible tool for diagnosing of Z-pinch plasma before and after stagnation in complement to x-ray spectroscopy, which is conventionally used in studying of the stagnating hot dense plasmas. A collection of aluminum EUV spectra from implosions of traditional cylindrical wire arrays and new planar wire arrays (PWA) on the 1 MA Zebra generator at UNR are being analyzed in this work. Al PWA loads were uniform and combined with Mo wires. Also, the EUV spectra and images from experiments with combined aluminum and stainless steel alloy 304, nested wire arrays from the 1MA COBRA generator at Cornell University are presented. The loads consisted of 8 or 16 wires of different materials in outer and inner arrays: stainless steel or aluminum. Non-LTE Al model was used to identify EUV spectra and to estimate plasma parameters. The special emphasis was made on study of dependence of Al EUV spectra on the type and composition of the load. WADM and radiation MHD simulations have been performed to model the load implosion, analyze the EUV images and calculate the bulk temperature of the precursor plasma column. In addition, we study the aluminum EUV spectra, recorded at the laser plasma facility “Sparky” at UNR. These spectra help to benchmark our spectroscopic models and identify the Z-pinch spectra.
Parallel SOLVE for direct circuit simulation on a transputer array

Sparse matrix solution (SOLVE) is a dominant part of the total execution time in a circuit simulation program such as SPICE. For simulation of modern VLSI circuit designs, it is important that this time be reduced. This paper presents a block partitionable sparse matrix solution algorithm in which a matrix is divided into equal size blocks, and blocks are assigned to different processors for parallel execution. The algorithm developed in this work exploits sparsity at the block level as well as within a non-zero block. An efficient mapping scheme to assign matrix blocks to processors is developed which maximizes concurrency and minimizes communication between processors. Associated reordering and efficient sparse storage schemes are also developed. An implementation of this parallel algorithm is carried out on a Transputer processor array which plugs into a PC bus. The sparse matrix solver is tested on matrices generated from a transistor-level expansion of ISCAS-85 benchmark logic circuits. Good speedup is obtained for all benchmark matrices up to the number of Transputers available.
Red King Crab, Paralithodes camtschaticus, Size-Fecundity Relationship, and Interannual and Seasonal Variability in Fecundity

ABSTRACT Stock assessment of Alaska red king crab, Paralithodes camtschaticus, can be improved by incorporating embryo production, which requires an understanding of the size-fecundity relationship and an understanding of interannual and seasonal variability in fecundity. We collected red king crab egg clutches from Bristol Bay, AK, during summer 2007 to 2010 and autumn 2007 to 2009 and estimated individual fecundity using dry weight methods. Fecundity increased with female size up to 138 mm carapace length (CL), at which point the slope decreased by 40%, suggesting senescence. Fecundity varied significantly but slightly (maximum, 5%) among years. Fecundity was consistently lower in autumn than spring, suggesting brood loss, with a 6% decrease between seasons in females smaller than 138 mm CL and a 10% decrease in larger females. When incorporating embryo production in stock assessments, differences in the size-fecundity relationship should be accounted for and rates of brood loss can be used to predict l...
Emission quenching of photoactive molecules embedded in supramolecular solids: Synthesis, structure and photoluminescence studies of benzil in a CMCR-based inclusion complex with a saturated linker molecule

Using a fully saturated linker, DPP [DPP = 1,3-di-(4-piperidyl)propane], a new CMCR-based (CMCR = C-methylcalix[4]resorcinarene) supramolecular complex incorporating benzil, CMCR-DPP-benzil-EtOH-H2O, and a corresponding benzil-free analogue CMCR-DPP-3EtOH, have been synthesized. Comparison of the TDDFT energy levels and the experimental host-absorption and guest-emission spectra, confirms that the emission quenching of benzil in a series of CMCR-linker frameworks can be attributed to the energy transfer from the guest to the host framework in the supramolecular solid and suggests strategies for increasing the lifetime of luminescent materials.
Nonpharmacological Approaches to Atrial Fibrillation

The mainstay of managing atrial fibrillation (AF) is drug therapy. In some patients, drug therapy is ineffective or not tolerated. This article reviews the current status of various nonpharmacological options for the treatment of AF.
The Evolution of Human Genetic Studies of Cleft Lip and Cleft Palate

Orofacial clefts (OFCs)—primarily cleft lip and cleft palate—are among the most common birth defects in all populations worldwide, and have notable population, ethnicity, and gender differences in birth prevalence. Interest in these birth defects goes back centuries, as does formal scientific interest; scientists often used OFCs as examples or evidence during paradigm shifts in human genetics, and have also used virtually every new method of human genetic analysis to deepen our understanding of OFC. This review traces the evolution of human genetic investigations of OFC, highlights the specific insights gained about OFC through the years, and culminates in a review of recent key OFC genetic findings resulting from the powerful tools of the genomics era. Notably, OFC represents a major success for genome-wide approaches, and the field is poised for further breakthroughs in the near future.