cssi/SciSciGPT-SciSciNet huggingface dataset:
Unravelling the details of vitamin D photosynthesis by non-adiabatic molecular dynamics simulations

We investigate the photodynamics of vitamin D derivatives by a fully analytical implementation of the linear response time-dependent density functional theory surface hopping method (LR-TDDFT-SH). Our study elucidates the dynamics of the processes involved in vitamin D formation at the molecular level and with femtosecond resolution. We explain the major experimental findings and provide new insights that cannot directly be obtained from experiments: firstly, we investigate the dynamics of the photoinduced ring-opening of provitamin D (Pro) and cyclohexadiene (CHD) and the subsequent rotational isomerization. In agreement with recent experiments and CC2 calculations, only the bright S1 state is involved in the ring-opening reaction. Our calculations confirm the experimentally reported 5 : 1 ratio between the excited state lifetimes of Pro and CHD. The longer lifetimes of Pro are attributed to steric constraints of the steroid skeleton and to temperature effects, both emerging directly from our simulations. For CHD and Pro, we present an explanation of the biexponential decay recently reported by Sension and coworkers [Tang et al., J. Phys. Chem., 2011, 134, 104503]: our calculations suggest that the fast and slow components arise from a reactive and an unreactive reaction pathway, respectively. Secondly, we assess the wavelength dependent photochemistry of previtamin D (Pre). Using replica exchange molecular dynamics we sample the Pre conformers present at thermal equilibrium. Based on this ensemble we explain the conformation dependent absorption and the essential features of Pre photochemistry. Consistent with the experiments, we find ring-closure to occur mostly after excitation of the cZc conformers and at lower energies, whereas Z/Eisomerization of the central double bond preferably occurs after excitation at higher energies. For the isomerization we provide the first theoretical evidence of the proposed hula-twist mechanism. Our results show that LR-TDDFT-SH is a highly valuable tool for studying the photochemistry of moderately large systems, even though challenges remain in the vicinity of conical intersections.
Rißbildung in turmartigen Tragwerken: Schleuderbetonmast versus Stahlbetonschornstein

Im Zeitalter des Mobilfunks dienen viele turmartige Bauwerke als Antennentrager. Viele davon stellen die besonders dafur konzipierten Schleuderbetonmaste sowie alte, entsprechend nachgerustete Schornsteine dar. Manche dieser Tragwerke weisen auffallige Vertikalrisse auf, deren Auswirkung auf die Tragfahigkeit begutachtet werden mus. Bei dieser Aufgabe mus in Betracht gezogen werden, das das im Erfahrungsbereich liegende Risverhalten normaler Betontragwerke nur bedingt auf Schleuderbetontragwerke ubertragbar ist. In diesem Sinne befast sich der vorliegende Beitrag mit der Erforschung der Unterschiede im Risverhalten der hochfesten Schleuderbetonmaste gegenuber dem der niederfesten Betonschornsteine. Die entsprechenden Untersuchungsergebnisse wurden mit der Risnachweismethode aus DIN V 1056, DIN EN 13084 und CICIND Model Code gewonnen und stellen einen wichtigen Teil der Qualitatssicherung von turmartigen Tragwerken dar. Crack Formation in Tower like Structures: Mast of centrifugal concrete vs. chimney of normal concrete Numerous tower like structures are used as antenna carriers in the age of cell phones. Most of them are for this aim designed masts of high strength concrete and old purposely equipped chimneys. Some of those structures show conspicuous vertical cracks which may affect the wind bearing capacity and thus, have to be assessed. In connection with this task the fact must be considered that the experiences with crack behavior of normal concrete structures are only conditionally valid for masts of centrifugal concrete. Regarding all this the differences in crack behavior of high strength masts and low strength chimneys are addressed in this paper. The investigation results were gained by the computation method from DIN V 1056, DIN EN 13084 and CICIND Model Code and represent an important part of the quality assurance of the tower like structures.
Optical network architecture for “Elephant” traffic

Future large Internet transactions (“Elephants”) will not be supported efficiently by TCP/IP Internet Protocols and traditional switching and routing paradigms. This talk describes an entire optical network architecture from the Physical Layer to the Application Layer that will support “elephants” much more efficiently and economically. In particular, bursty dynamic elephant traffic can cause serious Physical Layer transient impairments through cross-coupling in optical amplifiers that will severely corrupt all the sessions sharing the same fiber. This network architecture uses a technique called “Adiabatic Switching” and a new Transport Layer Protocol to alleviate this effect which is very prominent when the network is under congestion.
Effect of Mn2+ and Cd2+ on the Physical Properties of Li-Mixed Spinel Nanoferrites

The mixed Li-ferrites with dopants Mn2+ and Cd2+ are synthesized by chemical co-precipitation method. Structural and morphology analysis with X-ray diffraction (XRD) and SEM, respectively, confirmed the spinel structure with uniform distribution of the nanoparticles of the size in the range 17–36 nm. The dopant concentration affects the lattice parameter by incorporating Cd2+, lattice parameter increases in the range 8.3–8.7 A. This increase is attributed due to difference in ionic radii of cations. The dc electrical resistivity (ρ dc) and drift mobility (μ d) confirmed a semiconducting-like behavior. The increase in dopant concentration decreases the activation energy (ΔE). A small amount of Cd2+ causes a sudden increase in saturation magnetization (M s) and remanence (M r) values. It is observed that up to x=0.30 M s increases, while further incorporation of Cd2+ decreases magnetization. This is due to canted spin and can be explained on the basis of the canted spin model. The decrease in Curie temperature with increase in Cd2+ is due to interaction between tetrahedral (A) and octahedral (B) lattice sites.
Non-invasive characterization of polyurethane-based tissue constructs in a rat abdominal repair model using high frequency ultrasound elasticity imaging.

The evaluation of candidate materials and designs for soft tissue scaffolds would benefit from the ability to monitor the mechanical remodeling of the implant site without the need for periodic animal sacrifice and explant analysis. Toward this end, the ability of non-invasive ultrasound elasticity imaging (UEI) to assess temporal mechanical property changes in three different types of porous, biodegradable polyurethane scaffolds was evaluated in a rat abdominal wall repair model. The polymers utilized were saltleached scaffolds of poly(carbonate urethane) urea, poly(ester urethane) urea and poly(ether ester urethane) urea at 85% porosity. A total of 60 scaffolds (20 each type) were implanted in a full thickness muscle wall replacement in the abdomens of 30 rats. The constructs were ultrasonically scanned every 2 weeks and harvested at weeks 4, 8 and 12 for compression testing or histological analysis. UEI demonstrated different temporal stiffness trends among the different scaffold types, while the stiffness of the surrounding native tissue remained unchanged. The changes in average normalized strains developed in the constructs from UEI compared well with the changes of mean compliance from compression tests and histology. The average normalized strains and the compliance for the same sample exhibited a strong linear relationship. The ability of UEI to identify herniation and to characterize the distribution of local tissue in-growth with high resolution was also investigated. In summary, the reported data indicate that UEI may allow tissue engineers to sequentially evaluate the progress of tissue construct mechanical behavior in vivo and in some cases may reduce the need for interim time point animal sacrifice.
Should a Medical Center Deny Employment to a Physician Because He Smokes Tobacco Products

Departments of Medicine and Medical Ethics, The Center for Medical Ethics and Health Policy, Baylor College of Medicine, Houston, Texas, Department of Surgery, University of Tennessee Health Science Center, and International Children’s Heart Foundation, Memphis, Tennessee, and Department of Surgery and Institute of Human Values in Health Care, South Carolina Clinical and Translational Research Institute, Medical University of South Carolina, Charleston, South Carolina
In situ real-time studies of heterogeneous catalytic mechanisms at ambient pressures as probed by surface-enhanced Raman and mass spectroscopies

The utility of surface-enhanced Raman spectroscopy (SERS) as an in situ adsorbate probe of heterogeneous catalytic systems at high gas pressures (here up to 1 atm) in conjunction with mass spectrom...
Arteriovenous obstruction of arm due to venovenous bypass during liver transplantation

Two cases of arteriovenous obstruction of the right arm due to venovenous bypass during orthotopic liver transplantation are reported. Possible explanation and risk factors for the development of this complication are discussed.
High-resolution threshold photodetachment spectroscopy of OH–

Relative photodetachment cross sections for rotational thresholds of the hydroxide anion were measured using a coaxial laser-ion beam spectrometer. The thresholds correspond to transitions from the J=1 and J=2 states of X${\mathrm{}}^{1}$${\mathrm{\ensuremath{\Sigma}}}^{+}$ ${\mathrm{OH}}^{\mathrm{\ensuremath{-}}}$ to the J=3/2 state of X${\mathrm{}}^{2}$${\mathrm{\ensuremath{\Pi}}}_{3\mathrm{/}2}$ OH. Best fits of the data give cross sections that scale with energy above threshold as (E-${\mathrm{E}}_{\mathrm{th}}$${)}^{0.18\ifmmode\pm\else\textpm\fi{}0.06}$ and (E-${\mathrm{E}}_{\mathrm{th}}$${)}^{0.21\ifmmode\pm\else\textpm\fi{}0.05}$ for the two thresholds, respectively. This non-Wigner law energy dependence of the cross section results from the long-range ${\mathrm{r}}^{\mathrm{\ensuremath{-}}2}$ interaction between the dipole and the departing electron. Experimental results were compared with the predictions of a strong-coupling model of charge-dipole interaction devised by Engelking and good qualitative agreement was observed. When the resolution and range of the data for transitions that terminate in the lower \ensuremath{\Lambda}-doublet component is such that the \ensuremath{\Lambda}-doublet splitting is resolved, one observes the (E-${\mathrm{E}}_{\mathrm{th}}$${)}^{1\mathrm{/}2}$ behavior predicted by the Wigner law. This result is explained in terms of the effect of the \ensuremath{\Lambda} doubling upon the ${\mathrm{r}}^{\mathrm{\ensuremath{-}}2}$ charge-dipole interaction. From the threshold frequencies, an OH electron affinity of 14 741.02(3) ${\mathrm{cm}}^{\mathrm{\ensuremath{-}}1}$ was determined.
Structural relaxation dynamics of phosphate glasses: The effects of network topology on the glass transition

Scanning calorimetry measurements were made on a series of lead ((y)PbO + (1−y)P2O5, 0.3 < y < 0.55) and lead-iron phosphate glasses ((1−xPb(PO3)2 + (x)Fe2O3, 0 < x < 0.25) over a temperature range encompassing the glass transition. The apparent activation energy for structural relaxation, ΔH, determined for each composition from plots of the inverse of the glass transition temperature, Tg vs. the log of the cooling rate, was found to increase with the metal-to-phosphorus ratio. The value of ΔH increased from 44 kcal/mol for P2O5 to 350 kcal/mol for a lead-iron phosphate glass with x = 0.25. The calorimetry data were analyzed using the Adam-Gibbs-Scherer model of the glass transition. This analysis suggests that these glasses undergo a transition from ‘strong’ to the ‘fragile’ glass regime as the metal-to-phosphorus ratio is increased. It is also shown that this transition may be related to the phase transition predicted by He and Thorpe for glasses with underconstrained networks. From scanning calorimetry data on P2O5, B2O3 and a lead-iron phosphate glass (x = 0.15), the temperature dependence of the shear viscosity for each material above Tg was calculated and compared with published viscosity data.
Women with co-occurring substance use and mental disorders (COD) in the criminal justice system: a research review

Associated with the dramatic increase in the numbers of women entering the criminal justice system is the recognition of the prominent role of co-occurring substance use and mental disorders (COD) in the lives of female offenders. This article reviews current research examining the prevalence and range of COD among female offenders, the variety of psychosocial problems faced by the female offender with COD, and the multiple treatment needs of women with COD who are under criminal justice supervision. Women with COD can enter the criminal justice system at several different points and, because both substance use and mental disorders carry significant risk of relapse, effective treatment approaches must address both disorders. The paper concludes with a discussion of several important treatment issues and provides suggestions regarding an agenda for future treatment and research. Copyright © 2004 John Wiley & Sons, Ltd.
Globalization Derailed? Multinational Investors’ Response to the 1997 Denial of Fast-Track Trade Negotiating Authority

Is globalization being derailed by opponents? Results of this event study analysis of the 1997 fast-track denial suggest that investors (1) may have perceived fast-track as a debate on globalization and (2) appear to have expected financial losses to result from the failure to enact fast-track. Regression results further support the event study findings.
Putting genes into genetic coefficients

Plant parameters are critical inputs in crop simulation models and allow a general set of algorithms to represent features of specific cultivars. A subset of plant parameters is often referred to as ‘‘genetic coefficients’’. However, these genetic coefficients are developed from phenotypic observations, usually have a weak genetic basis, and are at best ‘‘genotypic’’ coefficients because they consider the genotype from a very integrative perspective and likely include some impact of environment on the trait or characteristic described. With increased understanding of crop genomes, we believe models can be improved by incorporating genetic coefficients that accurately describe the action of specific genes (within the genome) and therefore better represent the association between gene function and plant phenotype in simulation models. As an example, we discuss how knowledge of height genes in wheat (Triticum aestivum L.) cultivars, along with stronger genetic and environmental response algorithms, could substitute for the phenotypic parameter ‘‘height class’’ in the model SHOOTGRO. We also demonstrate how models containing responses based on known genetic variation can be used to identify traits to incorporate into cultivars better adapted to future climate scenarios. It remains for the geneticist, plant breeder, physiologist and modeler to cooperate and communicate with each other so that genetic information and responses with the genotype and environment and their interaction can be described in models and used to develop cultivars better able to exploit future climatic conditions. # 2004 Elsevier B.V. All rights reserved.
Microglia in Glia-Neuron Co-cultures Exhibit Robust Phagocytic Activity Without Concomitant Inflammation or Cytotoxicity.

A simple method to co-culture granule neurons and glia from a single brain region is described, and microglia activation profiles are assessed in response to naturally occurring neuronal apoptosis, excitotoxin-induced neuronal death, and lipopolysaccharide (LPS) addition. Using neonatal rat cerebellar cortex as a tissue source, glial proliferation is regulated by omission or addition of the mitotic inhibitor cytosine arabinoside (AraC). After 7–8 days in vitro, microglia in AraC− cultures are abundant and activated based on their amoeboid morphology, expressions of ED1 and Iba1, and ability to phagocytose polystyrene beads and the majority of neurons undergoing spontaneous apoptosis. Microglia and phagocytic activities are sparse in AraC+ cultures. Following exposure to excitotoxic kainate concentrations, microglia in AraC− cultures phagocytose most dead neurons within 24 h without exacerbating neuronal loss or mounting a strong or sustained inflammatory response. LPS addition induces a robust inflammatory response, based on microglial expressions of TNF-α, COX-2 and iNOS proteins, and mRNAs, whereas these markers are essentially undetectable in control cultures. Thus, the functional effector state of microglia is primed for phagocytosis but not inflammation or cytotoxicity even after kainate exposure that triggers death in the majority of neurons. This model should prove useful in studying the progressive activation states of microglia and factors that promote their conversion to inflammatory and cytotoxic phenotypes.
Low temperature thermal conductivity measurements on longitudinal and transverse sections of a superconducting coil

Abstract Thermal conductivity measurements have been performed on longitudinal and transverse sections of a superconducting coil at 5, 79, 196, and 276 K. The composite coil sections are composed of copper-stabilized niobium—titanium wire embedded in epoxy. Tabular and graphical data are presented. These data are compared to values calculated on the bases of components of the coil sections. Reasonably good agreement is obtained.
Hospitalization for suicide attempt and completed suicide: epidemiological features in a managed care population.

Background: Understanding factors that contribute to high suicide risk holds important implications for prevention. We aimed to examine the sociodemographic and medical predictors of attempted suicide (severe enough to require hospitalization) and of completed suicide in a large population-based sample from a health maintenance organization (HMO) in northern California, USA. Method: We designed a cohort study, including 87,257 women and 70,570 men aged 15 through 89 years old at baseline (in 1977–1985) with follow-up for hospitalizations and mortality through the end of 1993. Results: After a median of 10 years, 169 first hospitalizations for attempted suicide (111 among women, 58 among men) and 319 completed suicides (101 among women, 218 among men) were identified. There was a greater incidence of hospitalization for suicide attempt in women than in men and, conversely, a greater incidence of completed suicide in men than in women. The predominant methods of attempted and completed suicides were ingestion of psychotropic agents and use of firearms, respectively. In gender-specific multivariate analysis of hospitalization for suicide attempt, statistically significant associations were seen for age 15–24 years (women), 65–89 years (men), white race (women), 12th grade or less education (both genders), technical/business school education (men), never being married (men), history of emotional problems (both genders), history of family problems (women), history of job problems (men) and presence of one or more comorbidities (men). The independent predictors of completed suicide were: age 15–24 years (both genders), Asian race (women), Caucasian race (both genders), never being married (both genders), being separated/divorced (women), prior inpatient hospitalization for suicide attempt (both genders) and history of emotional problems (both genders). Conclusion: These findings could help health professionals be more effective in the prevention of suicide morbidity and mortality.
Discrete partnership: a case for a full year of discrete math

Discrete mathematics lies at the heart of the discipline of computing and represents one of the few bodies of knowledge with consistent content in our young and changing curriculum. We offer a model of a full-year, two-course experience of discrete structures with the initial course taught by computer science faculty and the second course taught by faculty in mathematics. We argue for the strengths gained in multiple and repeated exposure to the rich set of core topics and for the initial course to occur in the first year rather than the traditional advice to "take calculus". In particular, we present a model of collaboration with mathematics faculty that provides computer science students with an enriched breadth and depth of exposure while helping small departments to handle the constraints in scheduling.
Acoustic Reflex Growth in the Aging Adult

Growth in amplitude of the acoustic reflex to filtered noise and tones of 500, 1000, and 2000 Hz was measured with an aural acoustic-admittance meter in 30 persons between the ages of 20 and 79 yea...
Developmental responses of Trichoplusia ni (Lepidoptera: Noctuidae) to parasitism by the ectoparasite Euplectrus plathypenae (Hymenoptera: Eulophidae)

Parasitism by Euplectrus plathypenae inhibits larval-larval ecdysis in Tn'choplusia ni by injecting nonparalytic factor(s) into the host during the stinging process via the parasitoid's ovipositor. The parasitized host moves freely, feeds, and gains weight prior to the time of the normal ecdysis but does not molt. Parasitoid development is not required for the expression of molt arrest in the host. Parasitism during the first three fourths of the larval stadium results in molt arrest. Arrestment of molting is independent of 20-hydroxyecdysone and juvenile hormone. The arrestment factor(s) affect the epidermal tissue of the thorax and abdomen in ligated hosts without apparent interaction from other areas of the body. Cuticle and epidermal tissue of parasitized insects do not show signs of apolysis or ecdysis.
Racial discrimination is associated with distressing subthreshold positive psychotic symptoms among US urban ethnic minority young adults

Background Racial discrimination is related to depression, anxiety, and severe psychological distress, and evidence drawn from studies emanating from the United Kingdom and The Netherlands suggest racial discrimination is also related to clinical psychosis and subthreshold psychotic symptoms in racial and ethnic minority (REM) populations. The present study sought to determine the association between racial discrimination experiences and attenuated positive psychotic symptoms (APPS) in a United States (US) urban, predominantly immigrant and REM young adult population. Methods A cohort of 650 young adults was administered a self-report inventory for psychosis risk [i.e., Prodromal Questionnaire (PQ)], and the Experiences of Discrimination Questionnaire. The PQ allowed the dimensional assessment of APPS, as well as the categorical assessment of a potentially ‘‘high risk’’ group (i.e., 8 or more APPS endorsed as distressing), the latter of which was based on previous validation studies using the structured interview for prodromal syndromes. The relations between selfreported racial discrimination and APPS, and racial discrimination and ‘‘high’’ distressing positive PQ endorsement were determined, while accounting for anxiety and depression symptoms. Results Racial discrimination was significantly associated with APPS and with significantly higher odds of endorsing eight or more distressing APPS, even after adjusting for anxiety and depression symptoms. Conclusion The present study provides preliminary evidence that racial discrimination among US ethnic minorities may be associated with APPS, as well as potentially higher risk for psychosis.
Evaluation of soil and plant nitrogen tests for maize on manured soils of the Atlantic Coastal Plain

Improved N management programs for fertilizers and manures are needed in the Atlantic Coastal Plain because of concerns about agriculture's role in groudwater contamination with nitrate-N. We conducted a 3-yr study (1990-1992) at 56 locations in Delaware to evaluate the use of soil and plant N tests as components of a manure-based N management program for maize. In Phase 1 (15 sites), a factorial design was used; main plots were either poultry manure (PM, at 4.5 Mg ha -1 ) applied at planting or starter fertilizer (SF, at 30 kg N ha -1 ) and split plots were six rates of sidedress N. Phase 2 was conducted on 41 farms and evaluated the response of maize to sidedress N (0 to 268 kg N ha -1 ). The pre-sidedress soil nitrate test (PSNT) and two quicktests (the Nitrachek and Cardy meters) were used to identify N-sufficient sites in both phases. In Phase 1, we also evaluated the effect of time and depth of PSNT sampling and two plant N tests: the leaf chlorophyll meter (LCM; 1992 only) and the late-season stalk nitrate test. Maize response to sidedress N was rare as manured sites, and the ratio of total N added as manure and/or fertilizer to maize yield was consistently lower than the commonly used value of 17.8 kg N Mg -1 maize (1.0 pound bushel -1 maize). Average ratios for manured and nonmanured sites in Phase 1 were 13.0 and 13.2 kg N Mg -1 maize. The PSNT effectively identified N-sufficient or N-deficient sites = 70 % of the time. Delaying sampling, deeper sampling, or using NH 4 -N + NO 3 -N instead of NO 3 -N alone did not significantly improve predictive accuracy of the PSNT. The stalk nitrate test was found to be effective at identifying sites that were nonresponsive to sidedress N; our critical range was 0.7 to 2.0 g NO 3 -N kg -1 . The LCM results were encouraging and suggest that further research should be conducted on its use as an alternative to the PSNT. The Nitrachek meter was better correlated with laboratory measurements of soil NO 3 -N (r 2 = 0.87***) than the Cardy meter (r 2 = 0.60***) and should be an effective means to identify N-sufficient sites under field conditions
A component of Drosophila RNA polymerase I promoter lies within the rRNA transcription unit.

Genes transcribed by RNA polymerase II have been characterized as having several control regions upstream of the site at which transcription is initiated, and the ‘CAAT’ and ‘TAATA’ regulatory sequences are conserved in content and location in diverse eukaryotes1–3. The transcription of 5S RNA and tRNA by polymerase III is regulated by promoters that are actually within the genes4; these are also conserved in diverse eukaryotes5. In addition, sequences upstream of tRNA genes can affect RNA synthesis6,7. Recently, it has been determined that DNA sequences influencing the expression of the 18S and 28S ribosomal RNA genes (rDNA) lie upstream of the site of transcription initiation8–12. We have shown9 that a major component of the promoter of Drosophila rRNA polymerase I activity involves the region −43 to −27, where initiation is at +1. Here we present evidence that another major component of the polymerase I promoter lies within the first four nucleotides of the external transcribed spacer (ETS). Drosophila polymerase I control signals, therefore, lie both upstream of and within the rRNA transcription unit.
A Greek‐American kindred with autosomal dominant, levodopa‐responsive parkinsonism and anticipation

Interest is increasing concerning the role of genetic factors in the etiology of Parkinson's disease. We report the analysis of a Greek-American kindred with levodopa-responsive parkinsonism. Of the 98 individuals present in six generations of this pedigree, 16 individuals in three successive generations have developed parkinsonism. Affected members were examined both in Greece and in the United States. The clinical presentation consisted of asymmetric rigidity, resting tremor, bradykinesia, and postural instability, and symptoms were responsive to levodopa. The disease appears to be inherited in an autosomal dominant manner. The inheritance pattern and the development of parkinsonism in successive generations on two continents challenges environmental factors as the primary cause in the pathogenesis of parkinsonism in this kindred. Anticipation is present in this pedigree. The affected members in the third generation developed symptoms at ages 50 to 71, in the fourth at ages 40 to 55, and in the fifth at age 31 years. This is another example of a neurodegenerative disease with autosomal dominant inheritance and anticipation. A molecular genetic analysis of this pedigree is in progress.
Residual Stress Analysis of A Multi-Layer Thin Film Structure by Destructive (Curvature) and Non-Destructive (X-Ray) Methods

Multi-layer thin film which has structure of Cu/Cr/K/Cr/Cu prepared by sputtering process was analyzed for interfacial stresses for as-deposited conditions. This structure was also annealed at 150°C, 250°C, and 350°C for around 15 min. in a vacuum and cooled slowly down for stress analyses. Equations derived by Osgood [1] for residual stress estimations for homogeneous material system using layer removal technique (stress relief) is now applied for inhomogeneous system (multilayer structure). The results are compared with the data obtained from x-ray diffraction technique by using sin2Ψ-2θ method, for Cu layer. From the present analyses, the data obatined using layer removal seem to be qualitatively consistent with but not quantitatively in agreement with x-ray method. Data obtained using the layer removal method have some overlaps with those obtained from x-ray technique. However, in details, data from the curvature method present different scattering band from the x-ray method. It is suggested that the layer removal method is more practical to be used to estimate the average residual stress of the multi-layer system not only because the layer removal method estimates the bulk behavior but also when the metal film is thin (e.g., 200A for Cr layer), x-ray technique becomes impractical. By annealing the sputtered structure up to 250°C, the residual stresses, in particularly Cu layer, decreased on both sides in x- and y-directions. From the main results drawn from the present studies, the layer removal sequence for the curvature method shows significant affects on the obtained results of residual stresses. Minimizing influences caused by layer removal sequences as well as removing duration and temperature provides the most accurate results on residual stress measurements.
Immunological relatedness of two isozymes of 3-phosphoglycerate kinase from the mouse

Two isozymes of 3-phosphoglycerate kinase (ATP:3-phospho-D-~ycerate 1 -phosphotransferase, EC 2.7.2.3, PGK) are known to be present in mammalian tissues. PGK-I ** is found in all somatic tissues, and its structural locus is X-linked in humans [l] , kangaroos [2] and mice [3] .PGK-2 has been detected only in the sperm and testis of a number of mammals; however, there are exceptions where it has been found in somatic cells (kangaroo, dog, fox [4] ). Alleles determining electrophoretic variation map to chromosome 17 in the mouse [.5] . These two isozymes were purified in our laboratory, and their biochemical properties compared [6]. They were highly similar in their biochenlical properties even though the two loci must have been separated for over 100 million years [7]. To further explore the relatedness of these isozymes, antisera against the two PGK isozymes were produced separately, and their immunological properties were compared. The results of these studies suggest some antigenic relatedness between these two PGK isozymes.
Study of dislocations in NiAl through the use of in-situ straining in transmission electron microscopy

Abstract In order to understand the effect of composition, orientation and cooling rate on dislocation behavior in NiAl, high and commercial purity Ni–Al single crystals have been strained in-situ in transmission electron microscopy. In all materials tested, dislocations are generated from the edges of the foils and from deep in the foil interiors and glide in slip bands. Cross-slip of mobile dislocations is often observed in high purity material, whereas in commercial purity material slip was found to be much more planar. Dislocations moved by rapid jumps in the high purity material, in contrast to the commercially pure material, where movement was much slower and uniform. Despite the well known effect of thermal history on the mechanical behavior of NiAl, variations in cooling rate of the commercially pure material did not appear to influence the dislocation behavior.
Use of architectural simulation tools in education

This paper presents the author's experience in using architectural simulation tools in the instruction of computer architecture courses. In particular, we develop the notion of incrementally building a programmable, trace--driven "timer" tool, for use as a learning vehicle. We show how the cycle--by--cycle simulation output of such timers can be used to illustrate performance bottlenecks, and how this and other output statistics can be interpreted to convey key design tuning issues. As part of the overall simulation toolkit, we also use available cache simulators, trace generators and other utilities in illustrating key performance determinants and architectural trade--off issues.
The efficacy of using vibrometry to detect osteointegration of the Agility total ankle

Arthritis is a chronic, debilitating disease affecting one in six people in the United States annually. One of the most promising surgical treatments is total joint replacement. After decades of development, some joint replacement (arthroplasty) systems such as the hip and knee enjoy high success rates while others, particularly newer ones for the ankle, have disappointing survival rates. The goal of this study was to investigate, develop, and test a methodology to assess implant osteointegration, specifically for the talar component of a total ankle prosthesis. A vibrometry technique using Doppler ultrasound was developed to non-invasively determine osteointegration clinically. This methodology was evaluated via preliminary experimentation, along with another validation methodology, to access whether design criteria have been met in order to initiate a clinical study of the technique. Bench-top and cadaveric testing demonstrated that the Doppler ultrasound technique could distinguish the level of osteointegration between loose and fixed implant components. The laser vibrometry technique, used for the validation of the ultrasound technique intraoperatively, was also shown to be functional and indicative of the ultrasound technique's testing results. This methodology can provide a much needed tool to determine the integration of implants non-invasively in the clinical and surgical setting, thus allowing each patient's rehabilitation program to be monitored and tailored to maximize the osteointegration and survival rate of their total joint replacement.
The impact of glucocorticoid polymorphisms on markers of neonatal respiratory disease after antenatal betamethasone administration

Objective We previously demonstrated that maternal and fetal genotypes are associated independently with neonatal respiratory distress syndrome. The objective of the current study was to determine the impact of maternal and fetal single-nucleotide polymorphisms (SNPs) in key betamethasone pathways on respiratory outcomes that serve as markers for severity of disease. Study Design DNA was obtained from women who were given betamethasone and from their infants. Samples were genotyped for 73 exploratory drug metabolism and glucocorticoid pathway SNPs. Clinical variables and neonatal outcomes were obtained. Logistic regression analysis that controlled for relevant clinical variables to determine SNP impact on bronchopulmonary dysplasia (BPD), the need for respiratory support, and surfactant therapy use was performed. Results Data from 109 women who delivered 117 infants were analyzed: 14.5% of the infants experienced BPD; 70.8% of the infants needed some respiratory support after birth, and 27.5% of the infants needed surfactant therapy. In a multivariable regression analysis, gestational age at delivery was associated with most neonatal respiratory outcomes ( P ≤ .01), and chorioamnionitis was associated with BPD ( P Importin 13 gene ( IPO13 ; rs4448553; odds ratio [OR], 0.01; 95% confidence interval [CI], 0.00–0.92); surfactant use–maternal IPO13 (rs2428953 and 2486014; OR, 13.8; 95% CI, 1.80–105.5; and OR, 35.5; 95% CI, 1.71–736.6, respectively). Conclusion Several discrete maternal and fetal SNPs in the IPO13 family may be associated with neonatal respiratory outcomes after maternal antenatal corticosteroid treatment for anticipated preterm birth.
Transition behavior on lattices with ladders

Abstract We consider a d =2-dimensional, planar lattice of coordination number v =4 separated into distinct regions by a two/three-leg ladder. Random walks on this composite inhomogeneous lattice are studied as a function of the coupling of the ladder to the host lattice and with respect to the location of the trapping site. We find that the efficiency of trapping at sites on the host lattice decreases, whereas the efficiency of trapping at ladder sites increases, both dramatically, as the coupling of the ladder to the lattice decreases.
Near net-shape/net-dimension ZrC/W-based composites with complex geometries via rapid prototyping and Displacive Compensation of Porosity

Abstract ZrC/W-based composites with complex shapes have been fabricated by combining rapid prototyping methods for synthesizing porous WC preforms with the shape/dimension-preserving, reactive infiltration-based Displacive Compensation of Porosity (DCP) process. Two automated rapid prototyping methods were examined: (i) computer-numerical-controlled machining of porous WC powder compacts, and (ii) 3D printing of WC powder. After binder removal and partial sintering (to neck the WC particles), the shaped, porous, and rigid preforms were exposed to molten Zr 2 Cu at 1150–1300 °C and ambient pressure. Upon infiltration, the Zr in the melt underwent a displacement reaction with WC to yield more voluminous ZrC and W products that filled prior pores (reaction-induced densification). The resulting ZrC/W-based composites retained the shapes and dimensions (to within 1%) of the WC preforms. This work demonstrates, for the first time, that rapid preform prototyping can be integrated with the DCP process to generate dense, ultrahigh-melting carbide/refractory metal composites with tailorable near net-shapes and -dimensions.
Selective destruction and removal of heme from prostaglandin H synthase.

Abstract Treatment of the holoenzyme form of prostaglandin H synthase with oxygen gas in the presence of excess dithionite has been found to selectively oxidize the enzyme's heme cofactor. Both the cyclooxygenase and peroxidase activities of the PGH synthase were restored upon addition of hematin. A convenient procedure has been developed to prepare milligram amounts of apo-PGH synthase from the holoenzyme. This procedure appears to involve a reactive species generated during cooxidation of dithionite and heme. The reactive species differs from that generated during the cyclooxgenase catalytic reactions which inactivates the enzyme. The heme in hemoglobin and hematin is destroyed by the same treatment. Direct addition of hydrogen peroxide converted holo-PGH synthase to the apoenzyme, but with extensive loss of enzymatic activity.
Spatial–temporal structure of mixing interface turbulence at two large river confluences

Converging flows at stream confluences often produce highly turbulent conditions. The shear layer/mixing interface that develops within the confluence hydrodynamic zone (CHZ) is characterized by complex patterns of three-dimensional flow that vary both spatially and temporally. Previous research has examined in detail characteristics of mean flow and turbulence along mixing interfaces at small stream confluences and laboratory junctions; however few, if any, studies have examined these characteristics within mixing interfaces at large river confluences. This study investigates the structure of mean velocity profiles as well as spatial and temporal variations in velocity, backscatter intensity, and temperature within the mixing interfaces of two large river confluences. Velocity, temperature, and backscatter intensity data were obtained at stationary locations within the mixing interfaces and at several cross sections within the CHZ using acoustic Doppler current profilers. Results show that mean flow within the mixing interfaces accelerates over distance from the junction apex. Turbulent kinetic energy initially increases rapidly over distance, but the rate of increase diminishes downstream. Hilbert–Huang transform analysis of time series data at the stationary locations shows that multiple dominant modes of fluctuations exist within the original signals of velocity, backscatter intensity, and temperature. Frequencies of the largest dominant modes correspond well with predicted frequencies for shallow wake flows, suggesting that mixing-interface dynamics include wake vortex shedding—a finding consistent with spatial patterns of depth-averaged velocities at measured cross sections. Spatial patterns of temperature and backscatter intensity show that the converging flows at both confluences do not mix substantially, indicating that turbulent structures within the mixing interfaces are relatively ineffective at producing mixing of the flows in the CHZ.
Ethical universals in practice: An analysis of five principles

Abstract This paper discusses the application of five general principles of moral reasoning to situations that are characteristic of negotiations and bargaining scenarios. The five moral theories discussed are: utilitarianism, Kantian reasoning, discourse ethics, the maximization of one's own expected utility, and the maximization of the predictability of the consequences for those involved in the bargaining or negotiation. These principles are individually introduced and criticized by examining how they ‘perform’ in individual test cases taken from common negotiation experience. The purpose of the analysis is to lay bare the difficulties faced by the moral philosopher, economist, psychologist or sociologist when attempting to explain, interpret or normatively endorse behavior in concrete cases of bargaining scenarios on the basis of general principles. Because bargaining underlies most of the phenomena of interest to the economist and sociologist, the analysis illuminates a problem of general interest to practitioners of economics and sociology. It is argued that the calculability of the consequences of acting in accordance to a norm and the communicability of the norm in actual negotiation sessions both sharply constrain the application of the principles in practice. The essay therefore represents a reasoned invitation towards further investigation and reflection about the application of moral principles in bargaining and negotiations.
NMR Study of General Anesthetic Interaction with nAChR β2 Subunit

The molecular basis of anesthetic interaction with membrane proteins has been explored via determination of anesthetic effects on the structure and dynamics of the extended second transmembrane domain (TM2e) of the human neuronal nicotinic acetylcholine receptor (nAChR) β2 subunit in dodecylphosphocholine (DPC) micelles by 1H and 15N solution-state NMR. Both 1-chloro-1,2,2-trifluorocyclobutane (F3) and isoflurane, two volatile general anesthetics, induced nonuniform changes in chemical shifts among residues in TM2e. Saturation transfer difference NMR experiments further confirmed the direct anesthetic interaction with TM2e. A significant and more specific anesthetic interaction was observed on three leucine residues at the helix C-terminus. Although the TM2e helical structure remained after addition of anesthetics, plausible shortening and lengthening of helix hydrogen bonds were evidenced by periodic changes in backbone amide chemical shifts. The TM2e backbone dynamics were determined on the basis of the 15N relaxation rate constants, R1 and R2, and the 15N-[1H] NOE using the model-free approach. The global tumbling time (11.7 ns) of TM2e in micelles slightly increased (∼12.3–12.5 ns) in the presence of anesthetics. The order parameter, S2, exceeded 0.9 for all 15N-labeled residues, showing a restricted internal motion. Anesthetics appear to have minor effect on the TM2e's internal motion. This study provided the basis for subsequent more comprehensive studies of anesthetic effects on the transmembrane domain complex of neuronal nAChR.
Isolation and Identification of a Second Diuretic Hormone from Tenebrio molitor

A diuretic hormone (DH) of unusual structure was isolated from extracts of heads of Tenebrio molitor. The hormone is a 47 amino acid peptide, Mr = 5,029.9, with the sequence AGALGESGASLSIVNSLDVLRNRLLLEIARKKAKEGANRNRQILLSL. This peptide increases cyclic AMP production in Malpighian tubules of T. molitor. We recently identified a smaller DH from T. molitor with 37 amino acids; these peptides have only 15 identical amino acids when aligned to maximize similarity to other members of the insect DH family. This family has sequence similarity to the corticotropin-releasing factor superfamily of vertebrate peptides.
Adsorption and molecular rearrangement of amphoteric species at oil-water interfaces.

The formation of stable water-in-petroleum emulsions is a costly challenge when transporting, processing, and refining heavy crude oil and bitumen. The stability of these emulsions is attributed to interfacial films with well-documented viscoelastic properties that are known to vary with concentration, solvent quality, and asphaltene chemistry. In this study, we explore the impact of aqueous phase pH and salinity on the transient interfacial rheological properties of asphaltenic films. Using two chemically unique asphaltenes, interfacial shear rheology revealed an apparent salt-induced retardation of the interfacial consolidation processes that ultimately engender elasticity to the film. For Hondo asphaltenes at pH 7, a linear dependence of this retardation on the Debye parameter (κ) suggested that shielding of electrostatic attraction was responsible. Further investigation with dynamic oscillating drop tensiometry at pH 3, 7, and 10 illustrated that intralayer repulsive and attractive electrostatic inter...
Immunohistochemical demonstration of a testicular substance related to luteinizing hormone-releasing hormone

A substance related to luteinizing hormone-releasing hormone was demonstrated, by immunohistochemical procedures, in the cytoplasm of interstitial cells within the rat testes. In many seminiferous tubules, nuclei of spermatogonial cells were also immunopositive. Both cytoplasmic and nuclear fractions of testicular homogenates contain immunoreactive compounds, and this report identifies which cell types contain this substance. The localization of a peptide hormone within the nucleus of a target cell population may indicate its mode of action.
Base deficit as an indicator of significant abdominal injury.

Objective: To determine the relative predictive value of the arterial base deficit (BD) as an indicator of intra-abdominal injury (Al) and to compare BD with other indicators (chest injuries, pelvic fractures) of Al. Design: Retrospective case-control analysis. Setting: University of California San Diego Medical Center. Measurements and main results: Between January 1985 and July 1988, 3, 223 blunt trauma patients were admitted, with complete records available on 3, 011. Using a "best fit" multiple logistic regression, BD ⩽ −6 was the single most important indicator of Al ( P ⩽ .0001), and the odds ratio for Al increased with each category of increasing severity of BD. Admission hypotension, major chest injury, pelvic fracture, and field hypotension (in odds ratio order) also were significantly associated with Al. Conclusion: BD is a powerful indicator of Al. A normal BD does not exclude Al, but the presence of a BD ⩽ −6 in a blunt trauma patient should be considered a strong indication for objective evaluation of the abdomen (ie, diagnostic peritoneal lavage).