cssi/SciSciGPT-SciSciNet huggingface dataset:
Thermodynamic and physical properties of crystals formed from dilute solutions

Some of the thermodynamic and physical properties of crystals of linear polyethylene, formed from dilute solution are discussed. These properties include density, enthalpy of fusion, infrared absorption spectrum, selective oxidation and dynamic mechanical measurements. Despite the fact that electron microscopic examination reveals an apparent geometric regularity to these crystals, all these physical measurements yield a consistent interpretation in that they require about 15–20% of the chain units to be in a non-random conformation, and to form a disordered amorphous overlayer. Detailed studies of the experimentally observed relations between the crystallite thickness, crystallization temperature, and dissolution temperature (melting temperature in a dilute solution) are also presented. A thermodynamic analysis of the dissolution temperature-size relations, based on independently determined equilibrium solubility temperatures, indicates that the interfacial free-energy characteristic of the mature crystallites is significantly different from that involved in nucleation. The interfacial structures of the nucleus and the crystallites must, therefore, also be different. Size control by a nucleation process can be demonstrated from very general theoretical considerations. However, the detailed molecular structure characteristic of the nucleus cannot be specified solely from the fact that this process is size controlling.
Understanding and control of unstable contact resistance in RF MEMS gold-gold direct contact switches

The implementation of direct contact RF MEMS switches is challenging owing to their unstable contact resistance and low power handling/delivery. This paper carefully studies RF MEMS switch contact behavior and proposes a new method to suppress its instability leading to device failure. Our study supports the hypothesis that MEMS contact switches fail primarily due to contact necking. Using the proposed method, we demonstrate the ability to keep MEMS switch contact resistance under ∼0.05 Ω in high-cycle cold-switching while a high contact current of ≫0.9 A is handled/delivered.
Turning from truth to more dubious pursuits

A professor heading to class meets another professor. I 'm off to do my Liza Minnelli routine, says the first professor; the second laughs knowingly at the level of "performance" expected of a teacher in the college classroom today, and goes on to share the joke with yet a third. An educator with forty years of experience writes a letter to the Christian Science Monitor confidently pronouncing that most colleges today have become "expensive institutions competing primarily as youth resorts," complete with "pools, hockey rinks, catered meals, student centers, television rooms." The Chronicle of Higher Education features an opinion piece defending the old-fashioned lecture against the "interactive pedagogy" in vogue today, and another decrying student evaluations and their part in the "dumbing down" of higher education. And recently the New York Times saw fit to give front-page coverage to the problem of grade inflation, an inflation which has achieved Weimar-like proportions, especially at selective schools, and followed this with a piece in their Sunday review section that raised questions about the extraordinary emphasis placed on student evaluations in tenure, promotion, and salary decisions. What is happening? After what seems like years of progressive and cutting edge reforms to democratize higher education and make the university student friendly following the campus protests of the 1960s-reforms that could scarcely be questioned, so right, just, and inevitable were they once made to seem-the results in lowered standards of performance, achievement, and seriousness about the world of ideas is emerging to such an extent that they can no longer be ignored. Thoughts once confined to crabby out-of-the-way journals like Academic Questions are making their way into mainstream discourse, and even more important, the voices are not just from the right, long loudly critical of developments in the academy, but from other corners as well. A prime example of this is an extraordinary article that appeared in the September 1997 issue of Harper's by Mark Edmundson, a professor of English at the University of Virginia and, among other things, the editor of Wild Orchids and Trotsky (1993), a collection of essays by such writers as Eve Kosofsky
Mitochondrial alcohol dehydrogenase from Saccharomyces cerevisiae.

Abstract Aerobic yeast mitochondria contain a unique isozyme of alcohol dehydrogenase that accounts for the ability of yeast mitochondria to respire with ethanol as a substrate. This alcohol dehydrogenase has been isolated from intact yeast mitochondria, purified approximately 65-fold, and further studied. The mitochondrial isozyme represents about 5% of the total cellular alcohol dehydrogenase and differs from the classical, cytoplasmic isozyme by its slower electrophoretic mobility on polyacrylamide gel and its more alkaline pH optimum. Only minor differences between the mitochondrial and cytoplasmic isozymes were noted in the apparent K m s for NAD+, NADH, ethanol, and acetaldehyde.
Amino-hexose-reductones as antioxidants. I. Vegetable oils

Amino-hexose-reductones were evaluated as antioxidants in soybean, cottonseed, and corn oils and were shown to be highly effective by all oxidative and chemical tests. The activity of the eight different reductones was approximately the same in any one substrate. Slightly higher activities were given by reductones of lower molecular weight. Activity was demonstrated at concentrations as low as 0.001% and was shown to be a linear function of the concentration up to 0.02%, the approximate limit of solubility. Out-standing features of the reductone-treated oils were long induction periods, slow absorption of oxygen, and low rates of peroxide development. Reductones are believed not to react directly with peroxides but to prevent peroxide formation by reacting with some precursor.
Angiotensin Effects on Calcium and Steroidogenesis in Adrenal Glomerulosa Cells

We investigated the role of cellular calcium pools in angiotensin II-stimulated aldosterone synthesis in bovine adrenal glomerulosa cells. Angiotensin II decreased the size of the exchangeable cell calcium pool by 34%, consistent with previous observations that angiotensin II causes decreased uptake of 45Ca+2 into cells and increased efflux of 45Ca+2 from preloaded cells. Atomic absorption spectroscopy showed that angiotension II caused a decrease of 21% in total cellular calcium. Angiotensin II caused efflux of 45Ca+2 in the presence of EGTA and retarded uptake of 45Ca+2 when choline was substituted for sodium, suggesting that hormone effects on calcium pools do not involve influx of trigger calcium or sodium. Cells incubated in calcium-free buffer and 0.1 mM or 0.5 mM EGTA synthesized reduced (but still significant) amounts of the steroid in response to hormone. Cells incubated in increasing concentrations of extracellular calcium contained increasing amounts of intracellujar calcium and synthesized inc...
Personality test configurations in acne vulgaris.

52 college girls (mean age 20 yr.) were clinically divided into groups according to the severity of their acne. They were then given a battery of tests, of which the MMPI was found to be the most sensitive. Ss then applied a three-step cosmetic preparation once daily to their faces and the same battery of psychological tests was given subsequent to 3 and 6 mo. of treatment. It was found that MMPI scale score differences reached minimal to fairly high levels of significance between acne and nonacne Ss and between mild and severe acne sample groups. In the mild-acne group the therapeutic effects of skin treatment were reflected in relevant scale score changes; severe acne Ss became more defensive and somewhat conventionalized in their test responses.
Work performance of rats following partial hypophysectomy.

HYPOPHYSECTOMY in the rat causes a profound muscular asthenia. In acute experiments work performance can be normalized by treatment with adrenal cortical extract (ACE) plus vasopressin (3). In the present report it is shown that removal of any part of the hypophysis causes an acute suppression of work which can be corrected by ACE only when the posterior lobe is present. For several weeks following posterior lobectomy the rats show subnormal work output which is not corrected by vasopressin. By six weeks following posterior lobectomy the work capacity of the rat has been spontaneously restored to a normal or nearly normal output. Male rats of the Sprague-Dawley strain were obtained from the Upjohn breeding colony and maintained on Archer Dog Pellets until they reached a weight of 200 ± 2 gm. In some experiments the rats were subjected to the stimulation of muscle immediately following operation and in others there was a recovery period of either 30 or 42 days prior to the work test.
Subvocal articulatory rehearsal during verbal working memory in multiple sclerosis

This study was designed to examine verbal working memory (VWM) components among multiple sclerosis (MS) patients and determine the influence of information processing speed. Of two frequently studied VWM sub-components, subvocal rehearsal was expected to be more affected by MS than short-term memory buffering. Furthermore, worse subvocal rehearsal was predicted to be specifically related to slower cognitive processing. Fifteen MS patients were administered a neuropsychological battery assessing VWM, processing speed, mood, fatigue, and disability. Participants performed a 2-Back VWM task with modified nested conditions designed to increase subvocal rehearsal (via inter-stimulus interval) and short-term memory buffering demands (via phonological similarity). Performance during these 2-Back conditions did not significantly differ and both exhibited strong positive correlations with disability. However, only scores on the subvocal rehearsal 2-Back were significantly related to performance on the remaining test battery, including processing speed and depressive symptoms. Findings suggest that performance during increased subvocal rehearsal demands is specifically influenced by cognitive processing speed and depressive symptoms.
Autophagy in Hypertensive Heart Disease

In response to hypertension, the heart manifests robust hypertrophic growth, which offsets load-induced elevations in wall stress. If sustained, this hypertrophic response is a major risk factor for systolic dysfunction and heart failure. Extensive research efforts have focused on the progression from hypertrophy to failure; however, precise understanding of underlying mechanisms remains elusive. Recently, autophagy, a process of cellular cannibalization, has been implicated. Autophagy is activated during ventricular hypertrophy, serving to maintain cellular homeostasis. Excessive autophagy eliminates, however, essential cellular elements and possibly provokes cell death, which together contribute to hypertension-related heart disease.
Psychoanalysis and Diplomacy Part II: Large-Group Rituals

This paper focuses on the predominant repetitive activities in which a large group engages to maintain and/or repair its identity. These repetitive activities constitute large-group rituals and can be divided into two general categories: (1) rituals that occur within a society that do not involve an active relationship with a contemporary “other” large group; and (2) rituals that occur through and depend upon the interaction with an opposing or enemy large group, usually a neighbor. Because “others” are used as reservoirs for unwanted parts, both at individual and group levels, and are needed to support aspects of identity and a shared sense of sameness, the first type of ritual may also include reference to shared images of “others” from the large group's past. They therefore may not be strictly domestic or indigenous. Furthermore, the intensity and content of both types of rituals occur across a spectrum depending on whether a large group is at peace, in a “hot” conflict with an enemy group, or otherwise destabilized due to crises.
Endogenous 5-methylcytosine protects neighboring guanines from N7 and O6-methylation and O6-pyridyloxobutylation by the tobacco carcinogen 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone.

All CG dinucleotides along exons 5−8 of the p53 tumor suppressor gene contain endogenous 5-methylcytosine (MeC). These same sites (e.g., codons 157, 158, 245, 248, and 273) are mutational hot spots in smoking-induced lung cancer. Several groups used the UvrABC endonuclease incision assay to demonstrate that methylated CG dinucleotides of the p53 gene are the preferred binding sites for the diol epoxides of bay region polycyclic aromatic hydrocarbons (PAH). In contrast, effects of endogenous cytosine methylation on the distribution of DNA lesions induced by tobacco-specific nitrosamines, e.g., 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), have not been elucidated. In the work presented here, a stable isotope labeling HPLC−ESI-MS/MS approach was employed to analyze the reactivity of the N7 and O6 positions of guanines within hemimethylated and fully methylated CG dinucleotides toward NNK-derived methylating and pyridyloxobutylating species. 15N3-labeled guanine bases were placed within synthetic DNA...
Determinations of bond energies by time-of-flight single-collision chemiluminescence

Abstract A pulsed beam of metastable atoms traverses a scattering chamber filled with oxidant gas at low pressures (beam + gas arrangement); the resulting chemiluminescence is spectroscopically resolved as a function of time to yield a time-of-flight (TOF) spectrum for different internal states. From this data, the initial relative translational energy distribution is derived for the reactants that populate the excited internal state observed. Lower bounds are placed on the barium halide (BaX) dissociation energies, using the reactions Ba( 3 D) + X 2 → BaX* + X, where X = Br, I. Arguments are presented to show that these lower bounds represent measurements of the true bond energies: it is concluded that D 0 0 (BaBr) = 85.8 ± 2 kcal/mole and D 0 0 (BaI) = 72.9 ± 2 kcal/mole. The present work corrects previous determinations of bond energies from single-collision chemiluminescent studies which were in error because of unrecognized metastable contamination in the high-temperature atomic beam.
Yet More Serial Bibliographies

This continues to update the basic list of serial bibliographies of possible interest to Africanists which appeared in the 1983 volume of History in Africa and which will continue to appear to the extent that new materials are noticed. Most of the following items are of only peripheral interest to Africanists but each is likely to contain at least some material which does not appear in other bibliographies at all, or at least not so quickly. Where available, I have included OCLC numbers, which may be useful for those with access to the OCLC data base. Published by the Magyar Mezogazdasagi Muzeum in Budapest, the Bibliographia attempts to incorporate all materials relating to rural and agricultural history and related fields, a field not so fully covered, as far as I know, by any other bibliography. Unfortunately, publication is behind (and may even have ceased); materials for 1975 and 1976 were covered in the volume published in 1979. This included a total of 5790 items in 10 major and numerous minor categories, including economic and social history, history of agrotechnics, prices and wages, agrarian ethnography, and agricultural settlements. A list (obviously incomplete) of 90 to 100 journals is included and there are geographical and author indexes.
Observer variation in the detection of osteopenia.

In order to determine observer variation in the detection of osteopenia, 15 pairs of lateral chest radiographs obtained within two weeks of each other were reviewed separately by two radiologists and one orthopedist on three separate occasions. Intra- and interobserver variations were calculated for each individual film and film pairs using Kappa values. The individual observers were not able to give consistent readings on the same film on different days (average Kappa=0.54). When the additional factors of repeat films (average Kappa=0.47), or separate observers (average Kappa=0.38) were analyzed, agreement was even worse. The identification of osteopenia from the lateral view of the thoracic spine is highly subjective and variable from film to film and observer to observer.
Identification of educational objectives for obstetrics and gynecology residents in the ambulatory setting

Objective The primary objective of this study was to identify specific educational goals for obstetrics and gynecology residents in the ambulatory setting. Study design A cross-sectional study of current practice patterns in primary care, benign gynecology, and office procedures was performed with mailings to local private practice obstetrician-gynecologists. Questions for the anonymous written survey were generated using the Council on Resident Education in Obstetrics and Gynecology educational objectives. Telephone interviews with staff from billing offices confirmed practitioner responses. Results Of 88 practitioners, 43 (49%) responded. Diagnoses made in the office correlated well with the topics considered important for resident knowledge. Most important primary care diagnoses were depression and abdominal pain; important gynecologic diagnoses were abnormal uterine bleeding, chronic pelvic pain, contraception, and vulvovaginal infection. Conclusion This study offers a valid, practical foundation for developing a focused ambulatory resident education program based on current outpatient obstetrics-gynecology practice patterns.
An Electroless E-Coating Bath Sealing Technique for a Phosphated Magnesium Alloy

The corrosion resistance of phosphated Mg components is very low. A low cost and high corrosion resistant sealing technique is particularly desired. In this study, a new sealing technique was proposed and validated in laboratory trials. Phosphated AZ91D was simply dipped in an E-coating bath solution for a few seconds. After baking, the specimens were found to have considerably improved corrosion resistance.
Thermal stability and thermal expansion studies of PEEK and related polyimides

Abstract Thermal stability and thermal expansion properties are reported for several high performance polymers which contain carbonyl and/or ether linking groups designed to increase molecular mobility while retaining high temperature properties. The polymers studied include poly(ether ether ketone), PEEK, and three related novel thermoplastic polyimides: NEW-TPI, LARC-CPI, and LARC-IA. Thermogravimetric analysis showed that LARC-CPI exhibited major weight loss by about 450°C, and both PEEK and LARC-CPI lost 50% of their initial weight by 750°C. Thermomechanical analysis (t.m.a.) was used to determine linear coefficients of thermal expansion (CTE). All materials showed a large change in CTE at the glass transition temperature (T g ). Bulk linear CTEs ranged from 54–70 × 10 −6 °C −1 below T g , to 105–200 × 10 −6 °C −1 above T g . These CTEs are larger than those typically observed for more rigid chain polyimides. Using a two-phase model, the amorphous phase CTE was deduced for the semicrystalline materials. From t.m.a. data, amorphous phase CTEs above T g ranged from 120–245 × 10 −6 °C −1 . Small angle X-ray scattering (SAXS) was used to examine changes in long period with temperature for PEEK and NEW-TPI. Below T g , the long period did not change much while above T g , larger increases in the long period were observed. These increases in the long period with increasing temperature may be the result either of large amorphous phase expansion, or possibly of melting of thin lamellae.
In the Shadow of Fort Dearborn

Perhaps one of the most frustrating experiences confronting persons of African descent in the United States involves gaining recognition of their achievements and contributions to American life. In Chicago, Illinois, the nation's third largest metropolis and both locus and model for African-American advancement in politics, business, and culture for decades, the challenge assumed the proportion of a crusade during the Great Depression. The issue at hand in the 1930s was how to win recognition ofJean Baptiste Point De Saible (also Pointe Du Sable) as the city's founder. The major complication in all of this was his being of African ancestry.
Cation analysis of fermentation broth by high-performance liquid chromatography utilizing ion interaction

Abstract Nutrient information concerning the specific microorganisms in fermentation broth is crucial to the potency and production of an antibiotic. Nutrient analysis is hindered by an array of fermentation broth matrix interferences. These matrix interferences can be effectively removed by ashing the sample, although most of the major interferences can be removed by solid-phase extraction. The ashed sample was extracted using 10−M nitric acid and filtered through a filtered through a 0.45-μm filter. The sample extract was chromatographed on an Adsorbosphere HS C8 column with conductivity detection. The mobile phase consisted of 40 M tartaric acid, l2 mM sodium octanesulfonate in 5% methanol adjusted to pH 4.0 with sodium hydroxide. The flow-rate was 0.8 ml/min. Under these conditions, calcium, copper, lead, zinc, nickel, cobalt, cadmium, iron(III), magnesium and manganese are separated in less than 35 min. All analytes, with the exception of calcium and iron, are baseline-resolved. The response is linear for the range 1–1000 ppm. This method is able to monitor the microorganisms' cation consumption from the starting raw materials such as the flours and water used in producing a suitable starting culture to the final fermentation products. The use of post-column derivatization using ultraviolet detection allows for greater minimum detectable quantities (approximately 10−9 g) with a larger linear dynamic range.
Micropyretic synthesis of Ni-Al intermetallic composites

Ni3Al and NiAl intermetallic compounds and their composites are potential structural materials for high-temperature applications. Among the composites with different types of reinforcements, particulate-reinforced composites possess several advantages, such as isotropic properties, lower costs of reinforcement and easy fabrication. Particulate-reinforced composites also allow for a wider range of component geometry. In this article, Ni-Al-Cu composites with CeO2 particulates were prepared using the micropyretic synthesis techniques. The effect of chemical composition on the processing response parameters, the phases of products, the microstructure and mechanical properties of the composites were studied. X-ray diffraction results indicated that the phases of the synthesized composites were critically dependent upon the aluminium content. The final porosity of the composites decreased with an increase in the aluminium content. The flexural bending test showed a variation in the flexural strength of the composites with changing microstructure. The flexural strength and the elastic modulus increased with the aluminium content and the final density.
The relationship between changes in depression symptoms and changes in health risk behaviors in patients with diabetes.

Background This longitudinal study of patients with diabetes examined the relationship between changes in depressive symptoms and changes in diabetes self-care behaviors over 5 years. Design, Patients and Measurements A total of 2759 patients with diabetes enrolled in a large HMO were followed over a 5-year period. Patients filled out a baseline mail survey and participated in a telephone interview 5 years later. Depression was measured with the Patient Health Questionnaire (PHQ-9) and diabetes self-care was measured with the Summary of Diabetes Self-Care Activities (SDSCA) questionnaire. Baseline and longitudinal evidence of diabetes and medical disease severity and complications were measured using ICD-9 and CPT codes and verified by chart review. Results At the 5-year follow-up, patients with diabetes with either persistent or worsening depressive symptoms compared to those in the no depression group had significantly fewer days per week of following a healthy diet or participating in ≥30 min of exercise. At 5-year follow-up, patients with clinical improvement in depression symptoms showed no differences compared to the no depression group on number of days per week of adherence to diet but showed deterioration in adherence to exercise on some, but not all, measures. Conclusions Patients with diabetes with persistent or worsening depressive symptoms over 5 years had significantly worse adherence to dietary and exercise regimens than patients in the no depression group. These results emphasize the need to further develop and test interventions to improve both quality of care for depression and self-care in diabetes patients. Copyright © 2009 John Wiley & Sons, Ltd.
Triangle Fixing Algorithms for the Metric Nearness Problem

Various problems in machine learning, databases, and statistics involve pairwise distances among a set of objects. It is often desirable for these distances to satisfy the properties of a metric, especially the triangle inequality. Applications where metric data is useful include clustering, classification, metric-based indexing, and approximation algorithms for various graph problems. This paper presents the Metric Nearness Problem: Given a dissimilarity matrix, find the "nearest" matrix of distances that satisfy the triangle inequalities. For lp nearness measures, this paper develops efficient triangle fixing algorithms that compute globally optimal solutions by exploiting the inherent structure of the problem. Empirically, the algorithms have time and storage costs that are linear in the number of triangle constraints. The methods can also be easily parallelized for additional speed.
DRGs and the negative trauma workup

We conducted a study to assess the financial impact of the diagnostic workup and care of 136 trauma patients admitted to our institution during a six-month period who were subsequently found to have only minor injuries (Injury Severity Score ⩽ 9, Abbreviated Injury Score
Counterpropagating quasi-phase matching: a generalized analysis

The system of four differential equations governing counterpropagating quasi-phase matching are recast in a Hamiltonian form that leads to immediate insight into the nonlinear mixing process by inspection for all possible boundary conditions. A reduced Hamiltonian is found using conservation relations that are dependent on only two normalized field efficiencies and two aggregate phases. Hamiltonian contours are plotted in a series of phase-space cross sections to provide insight into the generalized behavior. The nonlinear eigenmodes are found, and their stability is examined. Finally, two specific counterpropagating quasi-phase-matching configurations, i.e., mirrored and mirrorless, are analyzed using this general Hamiltonian with the appropriate boundary conditions.
“Thinking about Movement” CAS Colloquium Abstracts

A collection of abstracts from papers presented at the 2014 CAS Colloquium “Thinking about the Movement,” held on April 2-3 at Southern Illinois University Edwardsville.
Pedestrian activity among California adults.

Background: The objectives of this study were to assess (1) pedestrian activity levels among adults, (2) where and why adults engage in pedestrian activity, and (3) what adults consider when deciding where to engage in pedestrian activity. Methods: Pedestrian activity was assessed in 12,036 California adults, ≥18 years, using a random digit-dial telephone survey. Results: Significant differences were identified by race, sex, age, and physical activity level in the type, location, and purpose of pedestrian activities. Men engage in pedestrian activity at work, and women engage in pedestrian activity while escorting children to school and running errands. Whites primarily engage in leisure-time pedestrian activity, and non-whites are more likely to engage in pedestrian activity for transportation. Older adults were less active than their younger counterparts. Conclusions: These findings should be considered by public health agencies and their partners as they continue to increase and promote opportunities f...
Hypermetabolic Disorders Presenting as Headache with Anxiety and Depression

SYNOPSIS Patients with anxiety and depression frequently complain of headache chronically. Two cases of patients with hyper-metabolic disorders presenting as headache with anxiety and depression are presented. One patient had a pheochromocytoma and one patient had hyperthyroidism. In addition to specific neurologic and psychiatric disorders, hypermetabolic disorders should be considered in the differential diagnosis of chronic cephalgia with anxiety and depression.
Numerical simulation of non-isothermal multiphase tracer transport in heterogeneous fractured porous media

Abstract We have developed a new numerical method for modeling tracer and radionuclide transport through heterogeneous fractured rocks in a non-isothermal multiphase system. The model formulation incorporates a full hydrodynamic dispersion tensor, based on three-dimensional velocity fields with a regular or irregular grid in a heterogeneous geological medium. Two different weighting schemes are proposed for spatial interpolation of three-dimensional velocity fields and concentration gradients to evaluate the mass flux by dispersion and diffusion of a tracer or radionuclide. The fracture–matrix interactions are handled using a dual-continua approach, such as the double- or multiple-porosity, or dual-permeability. This new method has been implemented into a multidimensional numerical code to simulate processes of tracer or radionuclide transport in non-isothermal, three-dimensional, multiphase, porous/fractured subsurface systems. We have verified this new transport-modeling approach by comparing its results to the analytical solution of a parallel-fracture transport problem. In addition, we use published laboratory results and the particle-tracking scheme to further validate the model. Finally, we present two examples of field applications to demonstrate the use of the proposed methodology for modeling tracer and radionuclide transport in unsaturated fractured rocks.
Characterizing the B-P stretching vibration in phosphorus-substituted phosphine boranes.

The experimental Raman spectra of three phosphorus-substituted phosphine boranes with bulky hydrocarbon substituents are presented and compared to the results of electronic structure computations by using the M06-2X method and the 6-311G(2df, 2pd) basis set. Total-energy distributions (TEDs) are calculated to describe the degree of mixing of the dative-bond stretching vibration with other simple internal coordinates. This level of theory is found to accurately reproduce the BP stretching frequency in all three crystalline solids. The Raman spectra of five smaller BP-containing molecules, including BH3PH3, are also simulated at this level of theory and compared to previous experimental results.
Control of mixing in fluid flow: a maximum entropy approach

In many technological processes a fundamental stage involves the mixing of two or more fluids. As a result, the design of optimal mixing protocols is a problem of both fundamental and practical importance. In this paper, the authors formulate a prototypical mixing problem in a control framework, where the objective is to determine the sequence of fluid flows that will maximize entropy. By developing the appropriate ergodic-theoretic tools for the determination of entropy of periodic sequences, they derive the form of the protocol which maximizes entropy among all of the possible periodic sequences composed of two shear flows orthogonal to each other. The authors discuss the relevance of their results in the interpretation of previous studies of mixing protocols.
MPI collective communications on the blue gene/p supercomputer: algorithms and optimizations

The IBM Blue Gene/P (BG/P) system is a massively parallel supercomputer succeeding BG/L, and it is based on orders of magnitude in system size and significant power consumption efficiency. BG/P comes with many enhancements to the machine design and new architectural features at the hardware and software levels. In this work, we demonstrate techniques to leverage the architectural features of BG/P to deliver high performance MPI collective communication primitives.
Artificial intelligence: an empirical science

My initial tasks in this paper are, first, to delimit the boundaries of artificial intelligence, then, to justify calling it a science: is AI science, or is it engineering, or some combination of these? After arguing that it is (at least) a science, I will consider how it is best pursued: in particular, the respective roles for experiment and theory in developing AI. I will rely more on history than on speculation, for our actual experience in advancing the field has much to tell us about how we can continue and accelerate that advance. Many of my examples will be drawn from work with which I have been associated, for I can speak with greater confidence about what motivated that work and its methods (and about its defects) than I can about the work of others. My goal, however, is not to give you a trip through history, but to make definite proposals for our future priorities, using history, where relevant, as evidence for my views.
Predictors of early versus late smoking abstinence within a 24-month disease management program.

INTRODUCTION Standard smoking cessation treatment studies have been limited to 6- to 12-month follow-up, and examination of predictors of abstinence has been restricted to this timeframe. The KanQuit study enrolled 750 rural smokers across all stages of readiness to stop smoking and provided pharmacotherapy management and/or disease management, including motivational interviewing (MI) counseling every 6 months over 2 years. This paper examines differences in predictors of abstinence following initial (6-month) and extended (24-month) intervention. METHODS Baseline variables were analyzed as potential predictors of self-reported smoking abstinence at Month 6 and at Month 24. Chi-square tests, 2-sample t tests, and multiple logistic regression analyses were used to identify predictors of abstinence among 592 participants who completed assessment at baseline and Months 6 and 24. RESULTS Controlling for treatment group, the final regression models showed that male gender and lower baseline cigarettes per day predicted abstinence at both 6 and 24 months. While remaining significant, the relative advantage of being male decreased over time. Global motivation to stop smoking, controlled motivation, and self-efficacy predicted abstinence at 6 months but did not predict abstinence at Month 24. In contrast, stage of change was strongly predictive of 24-month smoking status. CONCLUSIONS While the importance of some predictors of successful smoking cessation appeared to diminish over time, initial lack of interest in cessation and number of cigarettes per day strongly predicted continued smoking following a 2-year program.
Bone mineral density of adolescent female tennis players and nontennis players.

The purpose of this study was to determine differences in bone mineral density (BMD) among adolescent female tennis players (TPs) and nontennis players (NTPs) and to assess body composition as a predictor variable of BMD. Nineteen female TPs and 19 female NTPs, ages 14 to 18 years, participated in this study. Lumbar spine, total hip, femoral neck, forearms BMD, and body composition were assessed using dual-energy X-ray absorptiometry (DXA). Lumbar spine and total hip BMD measurements for TP were greater than NTP. However, these differences were not statistically significant (𝑃=0.37 and 0.12, resp.). TP had significantly greater femoral neck BMD than NTPs (𝑃=0.02). This difference might play an important role in preventing osteoporosis and decreasing the risk of fractures at the hip later in life.
Gain-of-Sensitivity Mutations in a Trim5-Resistant Primary Isolate of Pathogenic SIV Identify Two Independent Conserved Determinants of Trim5α Specificity

Retroviral capsid recognition by Trim5 blocks productive infection. Rhesus macaques harbor three functionally distinct Trim5 alleles: Trim5αQ, Trim5αTFP and Trim5CypA. Despite the high degree of amino acid identity between Trim5αQ and Trim5αTFP alleles, the Q/TFP polymorphism results in the differential restriction of some primate lentiviruses, suggesting these alleles differ in how they engage these capsids. Simian immunodeficiency virus of rhesus macaques (SIVmac) evolved to resist all three alleles. Thus, SIVmac provides a unique opportunity to study a virus in the context of the Trim5 repertoire that drove its evolution in vivo. We exploited the evolved rhesus Trim5α resistance of this capsid to identify gain-of-sensitivity mutations that distinguish targets between the Trim5αQ and Trim5αTFP alleles. While both alleles recognize the capsid surface, Trim5αQ and Trim5αTFP alleles differed in their ability to restrict a panel of capsid chimeras and single amino acid substitutions. When mapped onto the structure of the SIVmac239 capsid N-terminal domain, single amino acid substitutions affecting both alleles mapped to the β-hairpin. Given that none of the substitutions affected Trim5αQ alone, and the fact that the β-hairpin is conserved among retroviral capsids, we propose that the β-hairpin is a molecular pattern widely exploited by Trim5α proteins. Mutations specifically affecting rhesus Trim5αTFP (without affecting Trim5αQ) surround a site of conservation unique to primate lentiviruses, overlapping the CPSF6 binding site. We believe targeting this site is an evolutionary innovation driven specifically by the emergence of primate lentiviruses in Africa during the last 12 million years. This modularity in targeting may be a general feature of Trim5 evolution, permitting different regions of the PRYSPRY domain to evolve independent interactions with capsid.
Emerging Paradigms for Contact Surface Discretization

In this last chapter we address one of the most fundamental, yet difficult, issues associated with numerical description of contact: spatial discretization of contact/impact interaction. Fundamentally, in the most general case, contact interaction between two bodies involves the transmission of forces between meshes that are nonconforming on the interface. One might therefore expect that the sorts of problems encountered in other nonconforming finite element formulations (see, for example, the classical treatment in [SF73]) might be encountered in contact analysis, at least if special care is not taken in development of the numerical formulation. In particular, as has been noted by many authors (see, for example, [PT92]), traditional master slave contact strategies are not guaranteed to pass contact patch tests, as proposed first in the paper by Wriggers and coworkers (see [SWT85]). Put quite simply, one should expect that if a contact surface between two bodies is subjected to a spatially constant stress field, it should be able to exactly transmit this stress field from one body to another. If it can do so for arbitrary nonconforming contact surfaces, we say that the contact formulation passes the patch test. The development of contact formulations that do this, under general circumstances and for arbitrary discretizations, has remained elusive until relatively recently.
The MARCKS family of protein kinase-C substrates

37 Hallak, H., Muszbek, L., Laposata, M., Belmonte, E., 39 Neupert, T. A., Johnson, R. S., Hurley, J. B. and Brass, L. F. and Manning, D. R. (1994) J. Biol. Chem. Walsh, K. A. (1992) J. Biol. Chem. 267, 1827418277 269,47 1 3-47 16 40 Peitzsch, R. M. and McLaughlin, S. (1993) Bio38 Kokame, K., Fukada, Y., Yoshizawa, T., Takao, T. chemistry 32,1043610443 and Shimonishi, Y. (1992) Nature (London) 359, 749-752 Received 2 March 1995
Defective calcium influx and acrosome reaction (spontaneous and progesterone-induced) in spermatozoa of infertile men with severe teratozoospermia

Objective To evaluate the acrosome reaction and its prerequisite, a calcium influx, in spermatozoa of infertile men with a high incidence of abnormal sperm forms. Design Prospective, controlled study. Setting Academic tertiary assisted reproduction center. Patients Patients (n = 14) were allocated in the study after semen evaluation showed teratozoospermia ( Interventions After swim-up separation of the motile fraction, acrosome reactions were evaluated using Pisum sativum agglutinin (both spontaneously and exogenously induced with P and the calcium ionophore A23187, both at 10 μ M); the intracellular-free [Ca 2+ ] i was assessed by the fluorescent fura-2 indicator (basal and after P). Results Patients did not show the typical P-induced wave of [Ca 2+ ] i that was observed in controls but rather a blunted response, no response at all, or abnormal basal [Ca 2+ ] i levels. The percent of basal acrosome reaction was significantly lower for patients versus controls postswim-up, and at 1 hour and 3 hours. Furthermore, there was a significant difference in the response of acrosome reaction to P both at 1 hour and 3 hours, with patients showing almost no response at all. However, patients' acrosome reaction response to the calcium ionophore was similar to those of fertile men. Conclusion Infertile patients with a high incidence of abnormal sperm forms as diagnosed by strict criteria have a low incidence of spontaneous acrosome reaction and a diminished P-stimulated acrosome reaction, whereas the nonspecific response to a calcium ionophore is conserved. Parallel abnormalities of [Ca 2+ ] i were observed in patients, suggesting that these sperm populations may have a defective nongenomic P sperm receptor and/or abnormalities of other membrane transduction systems.
Preferences Regarding Contemporary Prenatal Genetic Tests among Women Desiring Testing: Implications for Optimal Testing Strategies

OBJECTIVES To compare utilities for prenatal testing outcomes among women inclined to continue their pregnancy despite abnormal results versus those inclined to terminate and to analyze how differences affect optimal prenatal testing strategies. METHOD Time tradeoff utilities for 23 outcomes were elicited from 281 women. We compared utilities based on termination inclination and applied them to a decision-analytic framework. RESULTS Of participants, 46.6% indicated that they would 'definitely' or 'probably' continue their pregnancy despite results indicating an intellectual disability. These women assigned higher utilities to abnormal testing results and having a child with an intellectual disability than women who would probably or definitely terminate. Primary cell-free DNA screening had the most quality-adjusted life years for women inclined to continue their pregnancy but yielded an incremental cost-effectiveness ratio (ICER) of $1 685 449. Multiple marker screening with either cell-free DNA or diagnostic testing as follow-up had an ICER of $9037. Primary diagnostic testing resulted in the most quality-adjusted life years for women inclined to terminate, with an ICER of $111 776. CONCLUSION Women seeking testing vary in prenatal testing outcome preferences and termination inclinations in the context of results indicating an intellectual disability. How they envision utilizing prenatal testing information impacts their optimal testing strategy. © 2016 John Wiley & Sons, Ltd.
Intracranial metastases of squamous carcinoma via the mandibular branch of the trigeminal nerve.

Squamous cell carcinoma commonly invades the perineural spaces of adjacent nerves; however, few cases of intracranial spread of tumor along this route have been reported. We present three cases of intracranial spread of squamous carcinoma along the mandibular branch of the trigeminal nerve. These cases illustrate the important clinical manifestations, difficulty of diagnosis, occasional unexpectedly long clinical course, and the difficulty of management of this problem.
Coat Color Genetics of Peromyscus: II. Tan Streak — A New Recessive Mutation in the Deer Mouse, P. maniculatis

The first mutant tan streak deer mice appeared in the initial laboratory-bred generation of a stock of Peromyscus maniculatus nubiterrae collected in Macon County, North Carolina. Laboratory progeny from the original animals were bred and mated among themselves and to wild-type individuals. The tan streak phenotype is characterized by nearly complete absence of coat pigmentation, except for a pale tan patch or narrow stripe extending mid-dorsally posteriorly from the head. The band is frequently somewhat broader in the shoulder region, occasionally forming a cross-shaped pattern. There is no evidence of black eumelanin in any part of the coat. The eyes are fully pigmented, appearing black, and pigment is present in the skin of the ears and elsewhere. The trait is inherited as an autosomal recessive. The genetic locus is provisionally designated tns. Crosses between homozygous tan streak (tns/tns) animals and albino (c/c), ivory (i/i), non-agouti (a/a) and brown (b/b) deer mice produced only wild-type progeny, indicating that the tns mutation is not at any of these loci.
Fate of triclosan in tertiary wastewater treatment: chlorination

Behavior of the antimicrobial triclosan (5-chloro-2-(2,4-dichlorophenoxy)phenol) was investigated under laboratory chlorination conditions and in a wastewater treatment plant discharging 380 million liters daily to the Delaware River, USA. Reactions of triclosan with chlorine were investigated using concentrations and exposure time typical of municipal wastewater treatment plants, i.e., 1 h contact time and average 1–2 mg/L residual chlorine. In reagent water, triclosan reacted quickly, transforming into mono- and dichlorinated species and further into dichlorophenol and trichlorophenol. However, triclosan remained stable for up to 2 h in wastewater samples chlorinated under these conditions. To confirm observed behavior under field conditions, a liquid chromatography tandem mass spectrometry-based analytical method capable of monitoring triclosan and its transformation products in wastewater was developed. Qualitative and quantitative wastewater characterization before and after chlorination are presented. Triclosan was present at the same concentration ( P > 0.05) in pre-chlorination and post-chlorination aqueous wastewater samples (mean 368 ng/L). This finding is consistent with the non-detection of specific triclosan transformation products above sample reporting limits (30.0–100 ng/L), but contrasts markedly with detection of chlorination transformation products reported in reagent water. These data suggest the importance of influent matrix components in chlorination reactions of triclosan in contaminated wastewater under treatment plant conditions.
High Fidelity Simulations of Flapping Wings Designed for Energetically Optimal Flight

computational approach for analysis and design. At the lowest delity level, we use a wake-only energetics model that allows us to rapidly scan the global apping kinematics for ecient kinematics and congurations. Following the wake-only design space characterization, we determine a series of candidate apping wing geometries that can produce the desired wake characteristics. To do this, we have developed a quasiinverse wing design strategy that attempts to match the designed vehicle’s wake-circulation distribution with that predicted by the energetics model. Using our modied-doublet lattice method, we are able to determine how to modulate wing twist and camber to produce the desired wake vorticity. Because the method assumes inviscid ow, we are able to derive a large number of candidate designs to produce the target wake; however, as we show in this paper, only some of the designs perform adequately in physically relevant viscous