cssi/SciSciGPT-SciSciNet huggingface dataset:
Quantifying the impact of cropland wind erosion on air quality: A high-resolution modeling case study of an Arizona dust storm

Abstract Dust storms fueled by wind erosion of desert and cropland soils in south-central Arizona have caused numerous highway accidents and health risks by creating hazardous air quality conditions. Despite much speculation that a major fraction of windblown dust during these storms originates at an active or abandoned cropland surface over the region, its quantification is largely missing in the literature. This study estimated the contribution of cropland wind erosion to the regional air quality degradation, in terms of concentration of particulate matter with diameter 10 μm and smaller (PM10), during a typical springtime dust storm, by conducting high-resolution (1 km horizontally) simulations utilizing the Weather Research and Forecasting- FENGSHA (a dust emission model)-Community Multiscale Air Quality (WRF-FENGSHA-CMAQ) modeling framework. The dust model for this study employed up-to-date and very high-resolution data on land use, soil texture, and vegetation index. The modeling system used in this study simulated reasonably well a regional dust storm (that raised concerns for air quality and highway safety) of 08–09 April 2013 compared against ground (station) observations of PM10 and satellite observations of dust optical depth and vertical structure of aerosol subtypes. The model evaluations also included the use of radar observations. Furthermore, the model results from this study indicated that the cropland wind erosion contributed about 55 % and 51 % of total PM10 over the Phoenix area (33.35°N–33.85°N, 112.36°W–111.485°W) and the western Pinal County region (32.50°N–33.35°N, 112.2°W–111.2°W), respectively, during this dust storm. The large contributions suggest that the inclusion and accurate representation of cropland dust sources are crucial in preparing emission inventories and in air quality modeling in this region. This representation is particularly important in view of the projected future aridity over this region (which is already under a long-term drought), which may lead to fallowing of currently active farmlands, making them potential hotspots of dust emission. The modeling approach developed for this work can be used to carry out more comprehensive studies, over extended spatial and temporal extents, to identify the sources of windblown dust and quantify their climatological dust emission potentials for this region or elsewhere. Such studies are highly desirable to help decision-making processes to reduce windblown dust and the associated health and safety risks.
State Messaging on Toxic Chemical Exposure: Per- and Polyfluoroalkyl Substances and the Individualization of Risk on State Websites in the United States

Government websites are an important tool for communicating information about environmental exposures and emerging public health concerns to the public. This includes how US state websites frame ri...
Pharmacokinetic study of oral prednisolone compared with intravenous methylprednisolone in patients with vasculitis of rheumatic disease.

Corticosteroids are the drugs of choice for many rheumatic diseases, including vasculitis. There is controversy concerning the route of administration. If there is active vasculitis and the blood vessels of the gastrointestinal tract are affected, there may be impaired absorption of oral corticosteroids.
Bayesian Outlier Detection with Dirichlet Process Mixtures

We introduce a Bayesian inference mechanism for outlier detection using the augmented Dirichlet process mixture. Outliers are detected by forming a maximum a posteriori (MAP) estimate of the data partition. Observations that comprise small or singleton clusters in the estimated partition are considered out- liers. We ofier a novel interpretation of the Dirichlet process precision parameter, and demonstrate its utility in outlier detection problems. The precision parameter is used to form an outlier detection criterion based on the Bayes factor for an outlier partition versus a class of partitions with fewer or no outliers. We further introduce a computational method for MAP estimation that is free of posterior sampling, and guaranteed to flnd a MAP estimate in flnite time. The novel meth- ods are compared with several established strategies in a yeast microarray time series.
Linking the Cell Cycle with Innate Immunity in Arabidopsis.

Cell cycle control is essential for plant growth and development as well as for environmental response (Inze and De Veylder, 2006). Vegetative growth and development in plants are strongly associated with the extent and proportion of two types of cell cycles: mitosis and endopolyploidization/endocycle. This short article highlights the impact of cell cycle regulation on plant–pathogen interactions and its molecular mechanisms revealed by some recent studies.
The origin of the systematic component of planetary rotation. I - Planet on a circular orbit

A computation is undertaken of the rotation rate of a planet that has accreted from small solid planetesimals, as a function of the eccentricities of the planetesimals' orbits at or near the plane of the planet's orbit. The spin angular momentum generated by a given collision can be either positive or negative; due to the tendency to approximately cancel out, this perturbation process must be pursued to the second order in the ratio of the planetary radius to the planetesimal radial excursions' amplitude. It is found that material accreted from the area of the planet feeding zone's outer edges furnishes the planet positive spin angular momentum.
Glucocorticoid receptors in PVN : interactions with NE, NPY, and Gal in relation to feeding

Norepinephrine (NE) and neuropeptide Y (NPY) potentiate carbohydrate ingestion after injection into the paraventricular nucleus (PVN), whereas injection of galanin (Gal) potentiates fat intake. The present study examines the relation between these neurochemically induced feeding behaviors and the adrenal steroids acting locally within the PVN. Results demonstrate that PVN NE- and NPY-induced carbohydrate intake is abolished by adrenalectomy surgery (ADX) and by local PVN implants of the type II receptor antagonist RU-486. Carbohydrate intake in response to PVN NE or NPY injection is unaffected by the type I antagonist RU-28318. In contrast, the stimulatory effect of PVN Gal injection on fat intake is unchanged by surgical ADX or by PVN administration of RU-486 or RU-28318, suggesting that the stimulatory action of Gal on fat ingestion occurs independently of corticosterone (Cort) and of PVN type I or type II steroid receptors. It is concluded that endogenous Cort has a permissive effect on the carbohydrate feeding responses elicited by NE and NPY in the PVN and that this interaction is mediated by type II glucocorticoid receptors within this nucleus.
The herpes simplex virus regulatory protein ICP27 contributes to the decrease in cellular mRNA levels during infection.

Abstract We have previously shown that the herpes simplex virus immediate-early regulatory protein ICP27 acts posttranscriptionally to affect mRNA processing (R. M. Sandri-Goldin and G. E. Mendoza, Genes Dev. 6:848-863, 1992). Specifically, in the presence of ICP27, spliced target mRNAs were decreased 5- to 10-fold in transfections with target genes containing a 5' or 3' intron. Here, we have investigated the effect of ICP27 during herpes simplex virus type 1 (HSV-1) infection on accumulation of spliced cellular mRNAs. ICP27 viral mutants have been shown to be defective in host shutoff (W. R. Sacks, C. C. Greene, D. P. Aschman, and P. A. Schaffer, J. Virol. 55:796-805, 1985). Therefore, we examined whether ICP27 could contribute to this complex process by decreasing cellular mRNA levels through its effects on host cell splicing. It was found that in infections with viral mutants defective in ICP27, the accumulated levels of three spliced host mRNAs were higher than those seen with wild-type HSV-1. The differences occurred posttranscriptionally as shown by nuclear runoff transcription assays. The stabilities of the spliced products during infection with wild-type or ICP27 mutant viruses were similar, and unspliced precursor mRNA for a viral spliced gene was detected in infections with wild-type HSV-1 but not in infections in which ICP27 was not expressed. These results suggest that the reduction in cellular mRNA levels and the accumulation of pre-mRNA are related and may be caused by an impairment in host cell splicing. These data further show that ICP27 is required for these effects to occur.
Business Simulation Games: Effective Teaching Tools or Window Dressing?.

Business simulations serve as learning platforms that stimulate the “gaming” interest of students, that provide a structured learning environment, and that should help manage the time resources of faculty. Simulations appear to provide a context where students feel learning can take place. However, faculty perception of simulation research is lacking. This study focuses on perceptions of management and marketing faculty in U.S. business schools. Both groups perceive simulations as useful teaching tools for their undergraduate courses; however, neither group views simulations as offering learning opportunities that are superior to traditional methodologies, such as case studies, service learning, or in-class discussions.
Contribution of transient receptor potential ankyrin 1 to chronic pain in aged mice with complete Freund's adjuvant-induced arthritis.

Objective To investigate age-related differences in mechanical sensitivity to inflammatory pain and determine the contribution of transient receptor potential ankyrin 1 (TRPA1) to mechanical hypersensitivity during chronic inflammation in young and aged mice with complete Freund's adjuvant (CFA)–induced arthritis. Methods Mechanical sensitivity in young (3-month-old) and aged (24-month-old) wild-type (TRPA1+/+) mice and TRPA1-deficient (TRPA1−/−) mice was measured behaviorally for 8 weeks following injection of CFA into the plantar hind paw. The severity of inflammation was evaluated by histologic analyses and hind-paw measurements. Ex vivo preparations of the skin saphenous nerve from mice were assessed for C-fiber sensitivity. Results Among naive (uninjured) wild-type mice, aged animals were less sensitive than young animals to mechanical stimuli. Afferent recordings of C-fibers from TRPA1−/− mice indicated that TRPA1 contributes to the normal mechanical sensitivity in both age groups. Following injection of CFA, both young and aged TRPA1+/+ mice exhibited mechanical hypersensitivity. In young TRPA1−/− mice injected with CFA, peak development of mechanical hypersensitivity was delayed until week 4, when they exhibited a sharp decrease (9-fold) in the mechanical paw withdrawal threshold, whereas aged TRPA1−/− mice did not exhibit mechanical hypersensitivity at any time during the 8 weeks after CFA injection. Recordings of C-fibers from the saphenous nerve supported these findings, with results indicating that both young and aged TRPA1+/+ mice exhibited increased action potential firing at 8 weeks after CFA injection (increases of 25% and 60%, respectively). Interestingly, among TRPA1−/− mice injected with CFA, mechanical firing was increased markedly in the C-fibers of young mice (increase of 80%) but not in the C-fibers of aged mice. Conclusion These findings reveal marked differences in the long-term mechanical behavioral sensitivity of aged and young mice, and suggest that TRPA1 may be a key contributor to the transition from acute to chronic inflammatory pain in response to mechanical stimuli as well as to the development of nociceptor sensitization selectively in aged mice.
Investigatory behavior in snakes, II: Cage cleaning and the induction of defecation in snakes

In Experiment 1, boid and colubrid snakes defecated with shorter latencies after their home cages were cleaned than did control snakes that received equivalent handling without cage cleaning. Experiment 2 replicated this finding and also showed that snakes exposed to clean cages emit more tongue flicks after reintroduction to the clean home cage than do control snakes. Experiment 3 demonstrated that cage cleaning has similar effects in two species of crotalid snakes. The increase in tongue flicking after cage cleaning is interpreted as investigatory behavior and reflects the fact that snakes respond to the absence of familiar odors. Experiment 4 showed that a clean cage containing odors derived from snake feces produces less tone-flick exploration and fewer defecation responses in rattlesnakes than does a clean cage without such odors.
Personal health behaviors in women who have undergone risk-reducing mastectomy.

Abstract Background Risk-reducing mastectomy (RRM) remains an effective yet controversial modality for the primary prevention of breast cancer. Is the choice of RRM consistent with a generally proactive healthy lifestyle? Methods The National Prophylactic Mastectomy Registry is a volunteer database comprised of 460 women who have undergone bilateral RRM. Each patient received a questionnaire drawn from the Centers for Disease Control Behavioral Risk Factor Surveillance System. Their responses were compared with gender-specific national data from the Centers for Disease Control. Results Women in the RRM group were statistically more likely to engage in risk-reducing personal health behavior including not smoking, exercising, maintaining their health, and taking advantage of screening programs. Conclusions Women in the registry who underwent RRM practiced a more “healthy” lifestyle than gender-matched controls. Therefore, the decision to have prophylactic surgery may have been part of a proactive approach toward their overall physical well-being.
Speeding up protein folding: mutations that increase the rate at which Rop folds and unfolds by over four orders of magnitude

Background The dimeric four-helix-bundle protein Rop folds and unfolds extremely slowly. To understand the molecular basis for the slow kinetics, we have studied the folding and unfolding of wild-type Rop and a series of hydrophobic core mutants. Results Mutation of the hydrophobic core creates stable, dimeric, and wild-type-like proteins with dramatically increased rates of both folding and unfolding. The increases in rates are dependent upon the number and position of repacked residues within the hydrophobic core. Conclusion Rop folds by a rapid collision of monomers to form a dimeric intermediate with substantial helical content, followed by a slow rearrangement to the final native structure. Rop unfolding is a single extremely slow kinetic phase. The slow steps of both folding and unfolding are dramatically increased by hydrophobic core replacements, suggesting that their main effect is to substantially decrease the energy of the transition state.
Multicultural Group Work: A Force for Developing and Healing

Multicultural group work represents a powerful tool for helping and healing in the context of human diversity. This article summarizes multicultural group work, including task, psychoeducational, counseling, and psychotherapy groups, and describes a group work model for multicultural assessment, diagnosis, and treatment planning. Group work assessment and diagnosis should be culturally informed involving emic, etic, and a dialectic assessment perspective. Treatment planning begins with culturally informed conceptualizations of group treatment. It should include intentional stage-specific treatment strategies with multiculturally responsive interventions, which continuously address powerful inclinations, liabilities, and needs resulting from human diversity and dialectic interactions between diverse clients.
Opportunistic cognitive radio broadcast channel: Asymptotic performance

We consider a cognitive channel where one secondary transmitter opportunistically broadcasts to n secondary nodes subject to peak interference power constraints on the primary receivers. We find asymptotic bounds for the secondary throughput, which imply that the throughput scales as Θ(log log n) for any finite interference constraint, no matter how small. Furthermore, a fundamental tradeoff between the secondary throughput and the interference on the primary is obtained, showing that the interference on the primary can be forced asymptotically to zero while maintaining a nontrivial secondary throughput. Specifically, for an arbitrary exponent 0 0.
The cilium in lights: new views of an ancient organelle.

Nearly all cells have cilia, microtubule based projections from the apical cell surface, and nearly all cells use them in essential and unique ways. How mammalian cilia function in vivo as mechanosensors, signal transducers, or in fluid propulsion has been difficult to study due to lack of tools for live imaging of cilia. A new transgenic mouse that enables tissue-specific GFP labeling of cilia creates new opportunities for using live imaging to understand cilium function and to better characterize the many genetic models of ciliopathies.
Properties of the glasses prepared by rapid quenching in the V2O5-MO(M=Mg, Ca and Ba) system

Rapidly quenched glasses in the V2O5-MO (M=Mg, Ca and Ba) systems have been prepared by a twin-roller technique. Glasses up to 40 mol% MgO and 50 mol% CaO or BaO were obtained. No metastable phase was observed in the crystallization processes. From the infrared spectral data for the glasses, the structural change of the glasses are discussed. The electrical conductivity of the glasses decreased with increasing MO content, and the electrical behaviour of the glasses has been related to the structural change of the glasses.
Structure—frequency correlations. Analysing non-additive data patterns of saturated aliphatic alcohols — an example

Abstract The OH stretching frequencies, νmax values, for a series of 22 monohydric, saturated, aliphatic alcohols have been examined, and a structure—frequency correlation pattern is presented. A formal procedure is offered for analyzing frequency differences (and contrasts), and it is shown that the frequency pattern for the majority of the compounds is well described by a simple, non-linear formula. It is concluded that the substituent effects are non-additive.
Sanctions and Education Outcomes for Children in TANF Families

Most research on the impact of Welfare Reform has been upon the employment status of parents and trends in declining caseloads. Recent research has examined how children in Temporary Assistance to Needy Families (TANF) program families are faring, with growing interest in the effects upon children of the disruptions to cash benefits that result from program sanctions, the policies that are intended to motivate parents to comply with work requirements. Adding to the body of knowledge on children and TANF sanctions, this study used administrative data to examine school attendance rates and disruptions to enrollment, for children from families with at least one sanction. Findings indicate that there are important probable connections between the factors that contribute to challenges to employment that relate to parenting and the school engagement of children in TANF families.
Control of Infectious Synovitis 7. Comparison of Tetracycline Antibiotics

Abstract IN PREVIOUS reports of Olson et al. (1957), Shelton et al. (1957, 1958), a difference in the relative efficacy of the tetracycline antibiotics when given orally was observed in chicks infected with the infectious synovitis virus. Since, Cover et al. (1956) did not observe a similar effect with in ova studies using agents causing infectious synovitis, a difference in the gastrointestinal absorption affecting the antibiotic concentration in the blood was implied. Therefore, studies were conducted to compare the effects of chlortetracycline, oxytetracycline and tetracycline when given orally or intraperitoneally to chicks previously inoculated with the virus causing infectious synovitis. EXPERIMENTAL Fifteen New Hampshire chicks were randomly selected, wing-banded and placed on each treatment. A commercial broiler ration containing three grams of penicillin per ton, 0.005 percent 3-nitro-4-hydroxyphenylarsonic acid and 0.0125 percent nicarbazin was used as the basal ration. Crystalline hydrochloride forms of chlortetracycline (CTC), oxytetracycline (OTC) or tetracycline (TC) were …
Improved synthetic access to the β,γ-enol ether amino acids, L-2-amino-4-methoxy-trans-but-3-enoic acid and l-2-amino-4-methoxy--but-3-enoic acid

Abstract A synthetic route to L-2-amino-4-methoxy- trans -but-3-enoic acid, exclusive of the cis - isomer, has been developed. The key step is direct formation of a trans -enol ether derivative from the corresponding dimethylacetal, by refluxing in CCl4, in the presence of hexamethyldisilazane and Me3SiI. The isomeric L- cis amino acid could be accessed from this route by isomerizing the intermediate, methyl DL-2-acetamido-2-amino-4-methoxy- trans -but-3-enoate at 217° C to give cis - trans mixture in a 1:10 ratio.
A Simple ‘Pig’ Game

Summary Our pig game involves a series of tosses of a die with the possibility of a player's score improving with each additional toss. With each additional toss, however, there is also the chance of losing the entire score accumulated so far. Two different strategies for deciding how many tosses a player should attempt are developed and then compared in terms of expected score.
Allostery in Rabbit Pyruvate Kinase: Development of A Strategy To Elucidate the Mechanism †

Isozymes of pyruvate kinase (PK) expressed in rabbit muscle and kidney show different allosteric kinetics. The only amino acid changes in the two isozymes, originating from alternative RNA splicing, occur at a stretch of 55 amino acids in the C domain near the subunit interface. The self-correcting distance geometry (SECODG) program DIAMOD was used to calculate a homology model of these interfacial contacts in the four helix bundle of the kidney PK dimer, based on the X-ray structure of the tetrameric rabbit muscle PK (Larsen et al. (1994) Biochemistry 33, 6301-6309). Energy refinement with the program FANTOM, using the ECEPP/2 force field to assess packing and electrostatic interactions between the two subunits, yielded two groups of energetically favorable conformations. The primary difference in the two groups is the loop conformation of residue Pro 402, which is serine in muscle PK. In one loop conformation, the conserved Lys 421 can form an intersubunit salt bridge as observed in the muscle PK crystal structure. The other loop conformation favors an alternative intrasubunit salt bridge, similar to that found in the Escherichia coli PK structure, which was not used for generating the model. The intersubunit salt bridge leads to an intersubunit hydrogen bonding between Lys 421 of one subunit and Tyr 443 of the other. To provide direct evidence on the roles of these residues, site-directed mutagenesis of the muscle PK gene was conducted. Converting Ser 402 to a proline and Tyr 443 to a phenylalanine changed neither the secondary nor the tetrameric structure, as measured by far UV-CD and sedimentation velocity, respectively. However, the S402P mutant exhibits steady-state kinetics, indicating that the mutant is more reponsive to regulation by effectors, while the mutant Y443F was essentially equivalent to wild- type muscle PK protein except for a lower affinity to phosphoenolpyruvate. These findings suggest a pivotal role for a few key residues in the allosteric regulation in PK.
14C incorporation from exogenous compounds into δ-aminolevulinic acid by greening cucumber cotyledons

Abstract Greening cucumber cotyledons accumulate δ-aminolevulinic acid when treated with levulinic acid. A variety of specifically labelled compounds were applied to the tissue and label was measured in the δ-aminolevulinic acid. Glutamate, glutamine and α-ketoglutarate were found to be incorporated into δ-aminolevulinic acid to a much greater extent than were glycine and succinate. A new route of δ-aminolevulinic acid biosynthesis is proposed wherein the carbon skeleton of α-ketoglutarate is incorporated intact.
EU Regional Policy and the Candidate States: Poland and the Czech Republic

As relatively poor countries, the candidate states from Central and Eastern Europe will be major recipients of structural funds assistance once they join the EU. This prospect raises important questions about the impact of regional policy on the territorial politics of candidate states. Chief among these is whether EU regional policy will promote the same trends towards political decentralisation and regionalism in the Central and Eastern Europe Countries (CEECs) that it is claimed to have promoted in current member states. To answer this question, this article compares preparations for accession by two candidate states, the Czech Republic and Poland. It finds that preparations for EU regional policy have indeed been an important factor promoting administrative decentralisation in these new democracies, but the longer-term impact of EU regional policy on the territorial politics of these countries, and by implication other candidate states, remains difficult to assess.
Earth science: Fertile fields for seismicity

An analysis of crustal uplift around California's San Joaquin Valley, caused by groundwater extraction, reveals that such removal leads to both seasonal and long-term unclamping of the nearby San Andreas Fault system. See Letter p.483 Through a combination of pumping, irrigation and evapotranspiration across the past 150 years, California's Central Valley has lost close to 160 km3 of groundwater. Colin Amos and co-authors use GPS measurements of vertical ground deformation to show that a broad zone of rock uplift surrounds the San Joaquin Valley, on the southern part of the Central Valley basin. The observed uplift closely matches the flexure predicted by a simple elastic model driven by current rates of water-storage loss within the valley. The authors suggest that such seasonal uplift of the Coast Ranges reduces the effective normal stress resolved on the adjacent San Andreas Fault, which may explain some of the annual modulation of seismicity observed in this area. They also infer that observed contemporary uplift of the southern Sierra Nevada, previously attributed to tectonic and/or mantle-derived forces, is partly a consequence of human-induced groundwater depletion.
The meaning of Russell's Law

Abstract Using a two point Gaussian quadrature, it is shown that Russel's law is a direct consequence of the fact that in general a planet's brightness decreases rapidly with increasing phase angle.
Natural abundance 17O NMR study of 2- and 4-substituted benzoyl chlorides

Abstract Natural abundance 17 O NMR chemical shift data for 17 ortho and para benzoyl chlorides recorded in acetonitrile at 75°C are reported. 17 O NMR data for the para substituted benzoyl chlorides are correlated with 17 O NMR data for similarly substituted acetophenones and methyl benzoates. The 17 O NMR signals for ortho isomers are downfield ( ca 30 ppm) from their para isomers; the downfield shifts are consistent with torsion angle change. The 17 O NMR data for the para isomers gave good correlations with σ + constants and with dual substituent parameters (DSP).
Retrograde Amnesia: Effects of Handling and Microwave Radiation

Rats that were irradiated with microwaves immediately after the training trial in a one-trial shock-avoidance learning task retained the conditioned avoidance response 24 hours later. However, rats that were handled a few minutes each day for 3 days before the experiment did not retain the response, although they were capable of learning in a later test.
Understanding Teacher Educators and Their Pre-Service Teachers through Multi-Media Case Studies of Practice

The challenges facing those who seek to prepare mathematics teachers are well established in the literature. Most of the research to date has focused on the perceptions and understandings of pre-service teachers, but not on the perceptions and understandings of teacher educators. In this study, we explore how four teacher educators understand their pre-service secondary teachers as the pre-service teachers attempt to make sense of teaching through the investigation of a multimedia case study of practice. We found that the teacher educators adopted two different implementation strategies: one strategy tended to be open-ended and exploratory; the other was more focused on the teacher educators' goals of anticipating student understanding and developing mathematical content knowledge for teaching. We also found that, in using the case study, teacher educators elicited pre-service teachers' thinking about the complexities of the teacher's role in small group work, about the value of explicitly revealing the teacher's reflections on the lessons, about the role of planning and preparation, and about the limits of pre-service teachers' abilities to understand and appreciate students' thinking and to extend lesson ideas. Both teacher educators and their pre-service teachers gained perspectives on the role of a teacher's mathematical content knowledge. These results imply that multimedia case studies of practice can serve as vehicles for revealing the knowledge and practice of teacher educators, as they engage in supporting the professional development of pre-service teachers.
Extending parallel scalability of LAMMPS and multiscale reactive molecular simulations

Conducting molecular dynamics (MD) simulations involving chemical reactions in large-scale condensed phase systems (liquids, proteins, fuel cells, etc...) is a computationally prohibitive task even though many new ab initio based methodologies (i.e., AIMD, QM/MM) have been developed. Chemical processes occur over a range of length scales and are coupled to slow (long time scale) system motions, which make adequate sampling a challenge. Multistate methodologies, such as the multistate empirical valence bond (MS-EVB) method, which are based on effective force fields, are more computationally efficient and enable the simulation of chemical reactions over the necessary time and length scales to properly converge statistical properties.The typical parallel scaling bottleneck in both reactive and nonreactive all-atom MD simulations is the accurate treatment of long-range electrostatic interactions. Currently, Ewald-type algorithms rely on three-dimensional Fast Fourier Transform (3D-FFT) calculations. The parallel scaling of these 3D-FFT calculations can be severely degraded at higher processor counts due to necessary MPI all-to-all communication. This poses an even bigger problem in MS-EVB calculations, since the electrostatics, and hence the 3D-FFT, must be evaluated many times during a single time step.Due to the limited scaling of the 3D-FFT in MD simulations, the traditional single-program-multiple-data (SPMD) parallelism model is only able to utilize several hundred CPU cores, even for very large systems. However, with a proper implementation of a multi-program (MP) model, large systems can scale to thousands of CPU cores. This paper will discuss recent efforts in collaboration with XSEDE advanced support to implement the MS-EVB model in the scalable LAMMPS MD code, and to further improve parallel scaling by implementing MP parallelization algorithms in LAMMPS. These algorithms improve parallel scaling in both the standard LAMMPS code and LAMMPS with MS-EVB, thus facilitating the efficient simulation of large-scale condensed phase systems, which include the ability to model chemical reactions.
Microscopically controlled surgical excision combined with ultrapulse CO2 vaporization in the management of a patient with the nevoid basal cell carcinoma syndrome.

Nevoid basal cell carcinoma syndrome is an autosomal dominant condition characterized by multiple basal cell carcinomas, skeletal abnormalities and sometimes mental retardation. The large number of tumors, which are often disfiguring, presents extreme difficulties in the treatment of these patients. Microscopically controlled excision, compared to other modalities (radiation therapy, photodynamic therapy, intralesional interferon alpha-2b) offers the highest cure rate. However, because of the large size and involvement of wide areas of the skin, this approach is sometimes impractical. The ultrapulse CO2 laser with high energy and short pulses achieves char-free ablation of the tumors, bloodless surgical field, minimal nonspecific thermal damage, rapid healing and diminished postoperative pain. Also, a number of lesions can be removed in a single session. We present a 48-year-old man with a 6.5 × 4.5 cm large basal cell carcinoma involving the anterior abdomen and navel area. The central thick portion of the tumor was resected by microscopically controlled excision with 3 stages, and wide thinner peripheral crescentic plaque vaporized with ultrapulse CO2 laser. The laser settings were 300 mJ energy/pulse and 100 W average power, which corresponds to the fluence of 7.5 J/cm2. Computerized pattern generator (ultrascan handpiece) was adjusted to patterns of 3 (circle) and 1 (square) with sizes varying from 5 to 7, and density of 9 (60% overlapping). The tumor was vaporized with 6 passes, all the way to deep reticular dermis. A fifteen month-follow up disclosed no recurrent disease. Subsequent biopsies revealed only a scar with postinflammatory hyperpigmentation. Our experience indicates that combined treatment with microscopically controlled excision and ultrapulse CO2 laser ablation is a suitable modality for the large tumor plaques involving concave and convex areas of the skin respectively. Microscopically controlled excision of thicker, concave portions of basal cell carcinoma plaques, where CO2 laser surgery is less feasible, presents an effective addition that renders this combined modality a successful method for the treatment of nevoid basal cell carcinoma syndrome.
Meditation in the Higher-Education Classroom: Meditation Training Improves Student Knowledge Retention during Lectures

The cognitive skills required for successful knowledge retention may be influenced by meditation training. The current studies examined the effects of meditation on the knowledge retention of students. In three experimental studies, participants from three introductory psychology courses randomly received either brief meditation training or rest, listened to a class lecture, then took a post-lecture quiz that assessed students’ knowledge of the lecture material. The results indicated that meditation improved students’ retention of the information conveyed during the lecture in each of the three experiments. Mood, relaxation, and class interest were not affected by the meditation training. Limitations and implications are discussed.
A NEW SPECIES OF VAEJOVIS (SCORPIONES, VAEJOVIDAE) FROM SONORA, MEXICO

Abstract Vaejovis pequeno, a new species of scorpion previously confused with V. waueri Gertsch & Soleglad 1972, is described and illustrated from Sonora, Mexico and is compared to that species. A revised diagnosis and new distributional records for V. waueri, a member of the eusthenura group, are provided.
VZV brainstem encephalitis triggers NMDA receptor immunoreaction.

After its discovery, anti-NMDA receptor (NMDAR) encephalitis was quickly recognized as “sleeping” neurologic disease, presumably heavily underestimated. This autoimmune disease is defined by the presence of immunoglobulin G (IgG) antibodies against cell surface epitopes of the NR1 subunit of the NMDAR.1 The disease phenotype is best characterized as encephalopathy and was initially described by Dalmau et al.2 in young women presenting with a prominent change of behavior, psychosis, memory deficits, seizures, abnormal movements, coma, and autonomic dysfunction. Whereas in cases of an underlying tumor (usually teratoma in the ovary) the cause of the disease is viewed as paraneoplastic, in many cases without a tumor the trigger for the NMDAR antibody production is unknown. Recently it has been observed that herpes simplex virus 1 (HSV-1) may account for relapses of HSV encephalitis (HSVE) by inducing NMDAR immunoreactivity causing the full clinical picture of anti-NMDA-R encephalopathy3 or a choreatic condition.4–6
Bradykinin modulation of a spinal nociceptive reflex in the rat.

Abstract Bradykinin (BK) is a potent algesic compound. Therefore, we hypothesized that BK, acting as a peripheral noxious stimulus, would attenuate or inhibit responses to another noxious stimulus. When administered intravenously (i.v.) to rats lightly anesthetized with pentobarbital, BK, produced a dose-dependent (12–144 μg/kg) inhibition of the nociceptive tail-flick (TF) reflex. BK also produced a dose-dependent decrease in mean arterial blood pressure, a subsequent increase in heart rate and an increase in the rate of respiration. The latency to the maximal effect of BK on the TF reflex was 10 s and was occasionally preceded by pseudoaffective responses at doses greater than 48 μg/kg BK. Neonatal treatment with capsaicin (50 mg/kg, subcutaneous) significantly attenuated BK-produced inhibition of the TF reflex indicating that BK was acting via peripheral afferents to inhibit the TF reflex. Reversible cold block or complete spinal transection at a low thoracic level (T 9–12 ), but not reversible cold block at a high cervical level (C 1–2 ), significantly attenuated BK-produced inhibition of the TF reflex, suggesting that BK activates afferents which enter the spinal cord between C 2 and T 9 . Pretreatment with intrathecally administered phentolamine (30 μg), an α-adrenoceptor antagonist, or methysergide (30 μg), a non-selective serotonin receptor antagonist, did not alter BK-produced inhibition of the TF reflex, further supporting the absence of activation of descending systems from the brainstem by i.v. BK. While coadministration of PGE 2 and BK significantly potentiated BK-produced inhibition of the TF reflex, neither bilateral removal of the stellate ganglion nor bilateral cervical vagotomy significantly affected the inhibitory action of i.v. BK on the TF reflex. These results suggest that i.v. BK inhibits the nociceptive TF reflex by activation of capsaicin-sensitive visceral afferents entering the spinal cord between C 2 and T 9 .
Failure of a Transfer Line on an Ethane Cracking Furnace Due to Sulfidation

An Incoloy 800H (UNS N08810) transfer line on the outlet of an ethane-cracking furnace failed during decoking of the furnace tubes after 9 years in service. A metallographic examination using optical and scanning electron microscopy (SEM) as well as energy dispersive X-ray spectroscopy (EDS) revealed that the failure was due to sulfidation. The source of the sulfur in the furnace effluent was either dimethyl disulfide (DMDS), injected into the furnace feed to prevent coke formation and carburization of the furnace tubes, or contamination of the feed with sulfur bearing oil.
The tuning algorithms used by the Donner 600 crystal tomograph

The authors describe the computer algorithms used to adjust the energy thresholds and timing delays in the Donner 600 Crystal tomograph. The adjustments are made using 1890 computer controlled digital-to-analog converters (DACs) and an orbiting positron source. The energy threshold for each crystal is adjusted by measuring the counting rate of each crystal-crystal coincidence as a function of the DAC settings that control a pulse height window for the crystal in question. The DAC settings that correspond to the 511-keV photopeak are noted, thus determining the conversion from DAC setting to energy and allowing the DACs to be set to any desired energy window. The DAC settings controlling the timing delay for each channel are systematically adjusted to maximize the overall event rate. The authors discuss the convergence of the tuning algorithms and report on the photomultiplier tube gain and timing variations over a period of 18 months. >
Water chains in lipid bilayers

tamic acid 204 is the terminal proton release group at the extracellular surface of bacteriorhodopsin. J. Biol. Chem. 270:27122-27126. Govindjee, R., S. Misra, S. P. Balashov, T. G. Ebrey, R. K. Crouch, and D. R. Menick. 1996. Arginine-82 regulates the pKa of the group responsible for the light-driven proton release in bacteriorhodopsin. Biophys. J. 71: 1011-1023. Richter, H-T., L. S. Brown, R. Needleman, and J. K. Lanyi. 1996. A linkage of the pKa's of asp-85 and glu-204 froms part of the reprotonation switch of bacteriorhodopsin. Biochemistry. 35:4054-4062.
Teaching Hidden Wholeness: Spirituality and Literature

This article describes a senior seminar for English majors focusing on Parker Palmer’s idea of hidden wholeness–“that life-giving core of the human self”–as it relates to spirituality and literature. The seminar attempted to honor the soul by exploring its relationships to intellect, meaning, and purpose.
Novel tool to suppress cell proliferation in vivo demonstrates that myocardial and coronary vascular growth represent distinct developmental programs

Cell proliferation, differentiation, and vascular growth are coordinated processes that are essential for embryonic development, tissue repair, and disease pathogenesis. Of interest, whether these critical processes are dependent upon each other has not been thoroughly explored. We have generated mice that conditionally express the cell cycle inhibitor p27(Kip1), following Cre-mediated recombination, as a tool to separate tissue proliferation from other cellular processes. Using the embryonic heart as a model, we show that myocardial proliferation and coronary development are genetically separable processes. Forced expression of p27, in both a wild-type and in a genetically sensitized background, resulted in ventricular hypoplasia without having any substantial effects on coronary development. We further demonstrate that Hedgehog signaling, which is essential for coronary vascular growth, does not control myocardial proliferation. Together, these studies strongly suggest that myocardial cell proliferation and coronary development are genetically separable programs exemplifying one of the many potential uses of this genetic tool.
Elastic scattering of electrons by hydrogen atoms at intermediate energies

Abstract A variational calculation of electron-dydrogen scattering has been performed in the energy range 10–30 eV using the Nesbet method. Results are presented for the cross section for elastic scattering.
Decreased potassium permeability in dystrophic mouse skeletal muscle

Abstract The resting membrane potential (Em) of skeletal muscle fibers from dystrophic mice was depolarized about 14 mV compared to normal muscles. By experiments done in the presence and absence of ouabain, it was determined that the contribution of the electrogenic pump potential to the Em was similar in the normal and dystrophic muscles, and therefore could not account totally for the depolarized state of the dystrophic fibers. Also, the data demonstrate that the observed decrease in Em of the dystrophic muscle fibers was not due to a decreased intracellular potassium concentration. However, the sodium: potassium permeability ratio (PNa:PK) was found to be higher in the dystrophic muscle fibers, which could account for the decrease in Em even in the presence of normal ion distributions. Experiments showing an increase in the membrane resistivity and the membrane time constant of dystrophic fibers (1.6× normal) indicated that the increase in PNa:PK is due primarily to a decrease in PK, rather than to an increase in PNa. The findings suggest that PK is abnormally low in dystrophic muscle, and may account for the lower resting potential. Thus, it appears that there is at least one fundamental defect in the muscle membrane in muscular dystrophy.
Blockade of GABA uptake with tiagabine inhibits audiogenic seizures and reduces neuronal firing in the inferior colliculus of the genetically epilepsy-prone rat.

Abstract Tiagabine is a new anticonvulsant drug that blocks the uptake of GABA, prolonging the action of this inhibitory transmitter. In the present study the effects of systemically administered tiagabine [30 mg/kg, ip (ED50)] were examined on audiogenic seizure (AGS) severity and neuronal firing in the inferior colliculus (IC) in the freely moving genetically epilepsy-prone rat (GEPR-9). The IC is known to be critical to AGS initiation. The effects of focal microinjection of tiagabine into the IC were also examined. Bilateral focal microinjection of tiagabine into the IC significantly reduced seizure severity in the GEPR-9. Systemically administered tiagabine also produced a significant reduction in seizure severity in the GEPR-9. Tiagabine produced a reduction in IC (central nucleus) neuronal firing, which was significant only at high acoustic intensities (90-105 dB), concomitant with the considerable reduction in seizure severity. These data are consistent with enhancement by tiagabine of γ-aminobutyric acid (GABA)-mediated inhibition in IC, which is most prominent at high acoustic intensities. The time course of the reduction in neuronal firing of IC neurons paralleled the reduction in seizure severity. Previous studies have shown that two forms of GABA-mediated inhibition (intensity-induced and offset inhibition) in IC neurons are most prominent at high stimulus intensities, which are required to induce AGS. The blockade of GABA uptake by tiagabine may act to inhibit audiogenic seizures, in part, by intensifying these naturally occurring forms of acoustically evoked inhibition in inferior colliculus neurons.
Effective stochastic dynamics on a protein folding energy landscape

We present an approach to protein folding kinetics using stochastic reaction-coordinate dynamics, in which the effective drift velocities and diffusion coefficients are determined from microscopic simulation data. The resultant Langevin equation can then be used to directly simulate the folding process. Here, we test this approach by applying it to a toy two-state dynamical system and to a funnellike structure-based (Gō-type) model. The folding time predictions agree very well with full simulation results. Therefore, we have in hand a fast numerical tool for calculating the folding kinetic properties, even when full simulations are not feasible. In addition, the local drift and diffusion coefficients provide an alternative way to compute the free energy profile in cases where only local sampling can be achieved.
Hydrogen in amorphous magnetic rare earth-transition metal alloys

Abstract A wide range of hydrogenated amorphous rare earth-transition metal (R-T) alloys has been synthesized using a newly developed vapor deposition synthesis procedure. Measured H/R ratios vary from 2 to 5 depending on composition. The R-T films do not fracture or disintegrate when activated as do crystalline alloys. Magnetic and electrical results are given for the a-Gd x Fe 1−x system. The inclusion of hydrogen sharply reduces the compensation temperature by 200K and the Curie temperature by 50K at a given composition. The dominant magnetic effect is a reduction of the GdFe exchange interaction. Potential application advantages of hydrogenated amorphous R-T alloys are also discussed.
Transient heat conduction in spheres for Fo < 0.3 and finite Bi

Using Laplace transforms, an analytical solution was obtained for transient heat conduction in spheres exposed to surroundings at a uniform temperature and finite Bi numbers. The solution is explicit, and valid during early transients, for Fourier numbers Fo < 0.3