cssi/SciSciGPT-SciSciNet huggingface dataset:
Free energy landscape and molecular pathways of gas hydrate nucleation

Despite the significance of gas hydrates in diverse areas, a quantitative knowledge of hydrate formation at a molecular level is missing. The impediment to acquiring this understanding is primarily attributed to the stochastic nature and ultra-fine scales of nucleation events, posing a great challenge for both experiment and simulation to explore hydrate nucleation. Here we employ advanced molecular simulation methods, including forward flux sampling (FFS), pB histogram analysis, and backward flux sampling, to overcome the limit of direct molecular simulation for exploring both the free energy landscape and molecular pathways of hydrate nucleation. First we test the half-cage order parameter (H-COP) which we developed for driving FFS, through conducting the pB histogram analysis. Our results indeed show that H-COP describes well the reaction coordinates of hydrate nucleation. Through the verified order parameter, we then directly compute the free energy landscape for hydrate nucleation by combining both forward and backward flux sampling. The calculated stationary distribution density, which is obtained independently of nucleation theory, is found to fit well against the classical nucleation theory (CNT). Subsequent analysis of the obtained large ensemble of hydrate nucleation trajectories show that although on average, hydrate formation is facilitated by a two-step like mechanism involving a gradual transition from an amorphous to a crystalline structure, there also exist nucleation pathways where hydrate crystallizes directly, without going through the amorphous stage. The CNT-like free energy profile and the structural diversity suggest the existence of multiple active transition pathways for hydrate nucleation, and possibly also imply the near degeneracy in their free energy profiles among different pathways. Our results thus bring a new perspective to the long standing question of how hydrates crystallize.
Multivariable tuning of the magnetostructural response of a Ni-modified FeRh compound

Abstract The magnetostructural response of a Ni-modified B2-type FeRh compound of composition, (Fe47.5Ni1.5)Rh51, is reported under the influence of simultaneous variations in temperature, applied magnetic field and hydrostatic pressure. The material undergoes a first-order magnetic transition from the antiferromagnetic state to the ferromagnetic state at a reduced temperature Tt = 144 K in the absence of applied magnetic field μ0H and applied pressure P. Applied independently, pressure and magnetic field influence Tt in opposite ways, with [dTt/dH]P=0 = −24 K/T and [dTt/dP]H=0 = 15 K/kbar, which are 3 time larger than in the parent compound FeRh. Application of Maxwell's relations to the magnetization data allows determination of the entropy change of the compound, and thus evaluates its magnetocaloric potential through the transition. Pressure application increases the magnetic entropy change (ΔSmag) but decreases the width of the magnetostructural transition, thereby decreasing the refrigeration capacity. Application of pressure also drives the phase transition to lower temperatures; it becomes sluggish and eventually is completely arrested below a critical temperature of ∼75 K. A three-dimensional (μ0H–P–T) phase diagram is constructed for the magnetic transition in the (Fe47.5Ni1.5)Rh51 system in order to evaluate the isocompositional magnetostructural response to combined application of pressure and magnetic field. Overall, these results emphasize that the magnetostructural phenomena in FeRh-based compounds is a thermally-activated process that may be tuned predictably by a variety of intrinsic (elemental substitution) and extrinsic (pressure, magnetic field, temperature) factors.
Towards a series elastic actuator with electrically modulated stiffness for Powered Ankle-Foot Orthoses

Series elastic actuators offer several benefits for powered ankle foot orthoses. One major benefit they offer for this application is the reduction of motor power requirements, which enables the reduction of motor weight. However, series elastic actuators commonly have a fixed stiffness value, which only yields optimal power reduction for one set of gait parameters such as gait type, user weight, and gait speed. These parameters vary during the normal use of orthotic devices. This paper presents a new variable stiffness series elastic actuator that can compensate for these variations. Our actuator uses a dielectric elastomer as the series elastic element so that the stiffness of the actuator can be electrically modulated, unlike current variable stiffness actuators that modulate their stiffness with a second motor. Experimental results indicate the viability of this approach for modulating stiffness and verify that the actuator generates forces meaningful for gait assistance.
Synagogues, Cemeteries, and Frontiers: Anti-Semitism in Switzerland

Jews have lived in Switzerland since ancient times. This article discusses recent anti-Semitic incidents and concerns in Geneva and traces the complex history, over a number of centuries, of restrictions and progressive emancipation of Jews in Switzerland.
What is the role of whole brain radiation therapy (WBRT) and high-dose cytarabine (Ara-C) as consolidation treatment after initial chemotherapy for primary CNS lymphoma (PCNSL)?

2013 Background: Optimal management of PCNSL is not defined. To date the best outcomes have been achieved by combined modality therapy using methotrexate (MTX)-based chemotherapy and WBRT. However,...
Occupancy-based buildings-to-grid integration framework for smart and connected communities

Abstract Buildings-to-grid (BtG) integration simulations are becoming prevalent due to the development of smart buildings and smart grid. Buildings are the major energy consumers of the total electricity production worldwide. There is an urgent need to integrate buildings with smart grid operation to accommodate the needs of flexible load controls due to the increasing of renewable energy resources. In the imminent future, smart buildings can contribute to grid stability by changing their overall demand patterns in response to grid operations. Meanwhile, building thermal energy consumption is also maintained by building operators to satisfy occupants’ thermal comforts. However, explicit large-scale demonstrations based on a simulation platform that integrates building occupancy, building physics, and grid physics at community level have not been explored. This study develops an occupancy behavior driven BtG optimization platform that can simulate, predict and optimize indoor temperature and energy consumption of buildings, generator setpoint and deviation while maintaining acceptable grid frequency. Authors have tested the framework on two standard power networks. The results show that the integrated framework can provide potential cost savings up to 60% comparing with the decoupled operation.
CALIPER: A deformable image registration algorithm for large geometric changes during radiotherapy for locally advanced non-small cell lung cancer.

Purpose Locally advanced non-small cell lung cancer (NSCLC) patients may experience dramatic changes in anatomy during radiotherapy and could benefit from adaptive radiotherapy (ART). Deformable image registration (DIR) is necessary to accurately accumulate dose during plan adaptation, but current algorithms perform poorly in the presence of large geometric changes, namely atelectasis resolution. The goal of this work was to develop a DIR framework, named Consistent Anatomy in Lung Parametric imagE Registration (CALIPER), to handle large geometric changes in the thorax. Methods Registrations were performed on pairs of baseline and mid-treatment CT datasets of NSCLC patients presenting with atelectasis at the start of treatment. Pairs were classified based on atelectasis volume change as either full, partial, or no resolution. The evaluated registration algorithms consisted of several combinations of a hybrid intensity- and feature-based similarity cost function to investigate the ability to simultaneously match healthy lung parenchyma and adjacent atelectasis. These components of the cost function included a mass-preserving intensity cost in the lung parenchyma, use of filters to enhance vascular structures in the lung parenchyma, manually delineated lung lobes as labels, and several intensity cost functions to model atelectasis change. Registration error was quantified with landmark-based target registration error and post-registration alignment of atelectatic lobes. Results The registrations using both lobe labels and vasculature enhancement in addition to intensity of the CT images were found to have the highest accuracy. Of these registrations, the mean (SD) of mean landmark error across patients was 2.50 (1.16) mm, 2.80 (0.70) mm, and 2.04 (0.13) mm for no change, partial resolution, and full atelectasis resolution, respectively. The mean (SD) atelectatic lobe Dice similarity coefficient was 0.91 (0.08), 0.90 (0.08), and 0.89 (0.04), respectively, for the same groups. Registration accuracy was comparable to healthy lung registrations of current state-of-the-art algorithms reported in literature. Conclusions The CALIPER algorithm developed in this work achieves accurate image registration for challenging cases involving large geometric and topological changes in NSCLC patients, a requirement for enabling ART in this patient group.
Quantitative MRI analysis of cerebral lesions and atrophy in post-partum patients with multiple sclerosis.

Abstract Objective To assess the change in cerebral lesions and atrophy associated with pregnancy in patients with multiple sclerosis (MS). Background Multiple sclerosis often affects women of reproductive age. Disease stabilization typically occurs during pregnancy, with transient recrudescence post-partum. Previous studies showed increased MRI-defined inflammatory Gadolinium enhancing disease activity and T2 lesion load in the 6 months' post-partum. The effect of pregnancy on T1 lesion load and brain atrophy in MS is not well understood. Methods We retrospectively identified 16 patients with relapsing-2remitting MS (RRMS) with pre-pregnancy and post-partum 1.5 T brain MRI separated by (mean ± SD) 15.4 ± 3.2 months. The time between delivery and post-partum MRI was 2.2 ± 1.5 months. Baseline characteristics were age 33.0 ± 4.1 years, disease duration 7.2 ± 4.8 years, and Expanded Disability Status Score (EDSS) 1.0 ± 1.0. T2 hyperintense (T2LV) and T1 hypointense (T1LV) lesion volumes were quantified and the number of Gd + lesions was assessed. An SPM12 pipeline estimated global atrophy using brain parenchymal fraction (BPF) and global cortical gray matter (GM) atrophy using the cortical GM fraction (cGMF). Paired t-tests assessed within subject changes. Spearman's correlation coefficients assessed MRI-clinical associations. Results Post-partum, there was an increase in both T1LV (p = .048, p = .023 with cube root transformation (CRT) and T2LV (p = .022, CRT p = .065). There were no changes in Gd + lesions, BPF, or cGMF (all p > .05). Conclusions Pregnancy is associated with increased in T2 and T1 cerebral lesion load in MS. However, a de-coupling is apparent, with no whole brain or cortical atrophy developing despite the increase in destructive lesions and despite the expected pregnancy-related decline in brain volume. While in the short term, pregnancy may be protective against the brain volume loss expected with increased lesion load, longer duration of follow-up is needed to verify these findings.
Approach to biocompatibility tests

One of the basic requirements of the materials to be used for transplants into the human organism is that they must never induce any biological rejection or disorganized growth in the tissues in which they are immersed. Such unwanted reactions may include, to take some examples, localized necroses resulting from the toxicity of the substances that compose the implanted material, immunologic reactions, hypersensitivity (notably in the case of metals), or localized blood clotting (in cardiovascular implants).
Chapter 32 Social security

Abstract This chapter reviews the theoretical and empirical issues dealing with Social Security pensions. The first part of the chapter discusses pure pay-as-you-go plans. It considers the effects of introducing such a plan on the present value of consumption, the optimal level of benefits in such plans, and the empirical research on the effects of pay-as-you-go pension systems on labor supply and saving. The second part of the chapter discusses the transition to investment-based systems, analyzing the effect on the present value of consumption of such a transition and considering such issues as the distributional effects and risk associated with such systems.
Landslides significantly alter land cover and the distribution of biomass: an example from the Ninole ridges of Hawai'i

In the Ninole ridges of Hawai'i we investigated how landslides influence ecosystem development and modify land cover and the distribution of biomass. We estimated above and below-ground biomass, and N and P concentration in leaves (Metrosideros polymorpha) and very fine roots (all species), for vegetation developing on landslides of three age classes (young, < 18 yr; intermediate, ≤ 42 yr; and old ca. 124 yr) and on undisturbed soils (ca. 430 yr). The undisturbed soils were derived from ash underlain by basalt. To quantify changes in land cover and the distribution of biomass we combined our estimates of biomass with estimates of the area covered by each vegetation class. The latter estimates were obtained from the analysis and classification of color-infrared aerial photographs. Average above- and below-ground biomass for the herbaceous vegetation (young landslides) was 10.4 and 3.2 t/ha, whereas for the ohia-non ash forest (intermediate and old landslides) was 37.5 and 5.2 t/ha, respectively. For the ohia-ash forest (undisturbed sites), average above and below-ground biomass was 354.6 and 9.5 t/ha, respectively. Average foliar N for the herbaceous and ohia-non ash forest ranged between 0.80–0.84%, whereas root P between 0.056–0.040%, respectively. For the ohia-ash forest, average foliar and root P was 0.918% and 0.036%, respectively. Based on changes in vegetation cover during the last 430 yr, we estimated rate of disturbance at 15% per century or equivalently that 53 t/ha biomass per century exited through the system. The removal of ash-derived soils by landslides significantly alters successional trajectories and by doing so may be transforming the Ninole ecosystems in irreversible ways.
New Developments in Operant Conditioning and Their Implications

From the very beginning, the area of psychology known as the experimental analysis of behavior, or operant conditioning, has looked beyond itself for extension and application of its basic principles to complex situations. B. F. Skinner, the person most responsible for the development of operant-conditioning research, was at work on an account of language at the same time that his seminal Behavior of Organisms (1938) was published. The account of language was twenty years in the making (Skinner, 1957), but the important point is that it began at the same time that the laboratory discipline was beginning; it began when there were almost no basic principles to apply. This orientation toward extension of laboratory principles has characterized Skinner’s work ever since (e.g., Skinner, 1948, 1953, 1968, 1971).
A truthful mechanism for interval scheduling

Motivated by cloud computing, we study a market-based approach for job scheduling on multiple machines where users have hard deadlines and prefer earlier completion times. In our model, completing a job provides a benefit equal to its present value, i.e., the value discounted to the time when the job finishes. Users submit job requirements to the cloud provider who non-preemptively schedules jobs to maximize the social welfare, i.e., the sum of present values of completed jobs. Using a simple and fast greedy algorithm, we obtain a \(1+s/(s-1)\) approximation to the optimal schedule, where \(s > 1\) is the minimum ratio of a job’s deadline to processing time. Building on our approximation algorithm, we construct a pricing rule to incentivize users to truthfully report all job requirements.
Antitubercular Activity of Mushrooms (Basidiomycetes) and their Metabolites

Re-emergence of multi-drug resistant and HIV-associated tuberculosis justifies the search for new anti-TB agents. Mushrooms (Basidiomycetes) and their secondary metabolites are relatively little ex...
The Sensible Reverberations

Shoes have long been an essential accessory for human beings. The earliest known shoes date back around 10,000 years ago, but most likely the connection between our feet and protective coverings dates back much farther. Initially, shoes were plant material such as bark or hemp rope, but as crafting techniques increased in complexity, these materials gave way to wood and leather. Even with the increased sophistication of craftsmanship, some cultures preferred to travel barefoot and only wore shoes during ceremonial occasions. Although shoes protect our feet from injury, wetness, and cold, they also deaden our ability to remain in contact with the earth. It is this contact that enables many other creatures to sense their vibratory world.
COVID-19 outbreak: A tale of two psych units

Background: COVID infections in inpatient psychiatry units present unique challenges during the pandemic, including behavioral characteristics of the patients, structural aspect of the unit, type of therapy for the patients We present COVID outbreaks in psychiatry units in two hospitals in our medical center in Bronx, NY, and describe our mitigation strategies Methods: Hosp A: In the early period of the pandemic in NY, 2 patients in the inpatient psychiatry unit tested positive for SARS-CoV-2 PCR The unit was temporarily closed to new admissions Hosp B: On 4/1, one of the patients in a 22 bed Psych unit, admitted since 3/10/20, developed fever, cough and tested positive for COVID-19 PCR Two of her close contacts tested positive for SARS-COV-2 PCR Results: Hospital A: In total, 5 of the 29 patients (17 2%) in the unit were SARSCoV- 2 positive, all of whom were asymptomatic Hospital B: Testing of the remaining patients showed positive PCR in 10/14 PCR tests of healthcare workers (HCW) were positive in 13/46 Except for the index patient, all the patients were asymptomatic but 32/46 HCW reported symptoms One negative patient subsequently turned positive Infection control and prevention strategies instituted in both hospitals were the same with subtle differences due to dissimilar burden of infection and structure of the units Table 1 shows the timing of the outbreak and the rapid institution of preventive measures in each of the hospitals There was still difficulty with patients regarding adherence Some of the patients refused to stay in isolation and would roam Compliance with masking and hand hygiene was problematic Communication was of paramount importance Multiple meetings were held between the Psychiatry staff, Infection Control and Prevention team, executive leadership of the hospital Environmental Services and Engineering were also involved Communications with the NY State Department of Health occurred frequently Conclusion: Strategies for management of COVID-19 patients in inpatient psychiatric units depends on the density of infected patients in the hospital and in the community The implementation of practice change may need to be rapidly adjusted depending on the situation and available resources Contingency plans should be formulated early on
Between France, Germany, and the United States: Raymond Aron as a Critical Theorist of Colonialism and Empire

Raymond Aron (1905–1983) has been the subject of numerous studies, yet he has rarely been discussed as a theorist of empires, imperialisms, and colonies. Aron is interesting in the context of the present volume’s interrogation of German and U.S. imperialism as a theorist of imperialism whose work was informed by the neo-historicist epistemology of Weimar-era social science. This chapter argues that Aron is interesting theoretically as a critic of theories that reduce empire to capitalism or economics and of explanations of imperialism based on the assumption of rational decision-making. Aron’s studies of colonialism and empire are also exemplary in their combination of social theory with close attention to complex conjunctures of political events and moment-to-moments changes. His work on empires represents an original historical sociology of imperialism and geopolitical change.
Comparison of Microtensile Bond Strength of Glass Ionomer to Carious Primary Dentin After Treatment with SDF and SDF/KI

Introduction:The aim of this in vitro study was to compare the microtensile bond strength of glass ionomer to carious dentin in primary molars that were treated with silver diamine fluoride (SDF) to that of primary molars treated with silver diamine fluoride and potassium iodide (SDF/KI). Methods: Thirty-nine extracted carious primary molar samples were prepared and divided into two groups. Twenty samples received two applications of SDF and 19 samples received two applications of SDF/KI. All samples were restored with glass ionomer (EQUIA Forte). The samples were tested using a vertical displacement test to evaluate the microtensile bond strength. Results: The microtensile bond strength of the glass ionomer to carious dentin was greater in the teeth treated with SDF/KI than in the teeth treated with SDF alone. The results were statistically significant with a p-value Conclusions: Pretreatment of carious dentin with silver diamine fluoride and potassium iodide resulted in a greater microtensile bond strength to a glass ionomer when compared to carious dentin treated with silver diamine fluoride alone.
Word centrality constrained representation for keyphrase extraction

To keep pace with the increased generation and digitization of documents, automated methods that can improve search, discovery and mining of the vast body of literature are essential. Keyphrases provide a concise representation by identifying salient concepts in a document. Various supervised approaches model keyphrase extraction using local context to predict the label for each token and perform much better than the unsupervised counterparts. Unfortunately, this method fails for short documents where the context is unclear. Moreover, keyphrases, which are usually the gist of a document, need to be the central theme. We propose a new extraction model that introduces a centrality constraint to enrich the word representation of a Bidirectional long short-term memory. Performance evaluation on 2 publicly available datasets demonstrate our model outperforms existing state-of-the art approaches.
Graphene plasmonic terahertz lamps

We investigate the use of graphene plasmonic excitations for current-driven narrowband THz light emission. Device structures designed to promote critical coupling to free-space radiation are shown to be particularly effective for maximizing the output power.
The Night Side of Nature: Environmental Meanings of the Modern Paranormal

The rise of the category of the paranormal in scholarship during the last decade calls for a historical genealogy of the term, if scholars are to continue to use it as both an analytic frame and an object of study. Such a genealogy shows that the paranormal derives from early modern and Renaissance environmental and cosmotheist beliefs and philosophies. Modern discourses of the paranormal are deeply coded forms of Renaissance cosmotheism and organicism, a coding accomplished through major intellectual stances on the category of ‘nature’ by lgures like Franz Mesmer, Friedrich W.J. Schelling, and Frederic W.H. Myers. The modern paranormal is an organic and ecological intellectual category of uncanny interrelation between subject and environment, and tracing its historical development demonstrates how organic environmental philosophies were shaped during and after the Enlightenment.
A techno-economic analysis of biochar production and the bioeconomy for orchard biomass.

Abstract It is well established that the global practice of burning crop residues, such as orchard biomass, harms human health and the environment. A bioeconomy for orchard biomass may reduce open burning, facilitate the recovery of nutrients that improve soil health, and boost economic growth. We present a techno-economic analysis for converting orchard waste into biochar, a charcoal-like substance that shows promise for improving soil health, but that is considered an experimental product with emerging efficacy and limited market demand. We impute values derived from a cost analysis of biochar production in California’s Central Valley into a regional economic input-output model to demonstrate economic growth and a bioeconomy for biochar made with orchard waste. Results from a stochastic Monte Carlo simulation show a probable range of biochar production costs between $448.78 and $1,846.96 (USD) Mg−1, with 90% probability that costs will range between $571 and $1,455 Mg−1. A sensitivity analysis shows that production costs are most responsive to biochar production rates. A modifiable Excel-based biochar enterprise budget that includes fixed and variable biochar production costs is provided as Supplementary Material. The regional economic analysis demonstrates positive economic growth as defined by job creation, labor compensation, value-added product, and gross output. Stochastic cost estimates and net positive regional economic impacts support economic feasibility of a circular bioeconomy for waste orchard biomass when coupled with governmental policy initiatives. Results may contribute to developing a circular bioeconomy for biochar and orchard biomass in the study region and elsewhere in the world.
A review on essentials and technical challenges of software defined radio

Since the initiation of the Joint Tactical Radio System (JTRS) program, the concept of software defined radio (SDR) has received considerable attention and significant progress has been made. While the raison d'etre of SDR is somewhat different for military and commercial applications, they share similar challenges in implementing a true SDR. A true SDR faces numerous hardware and software challenges, many of them still to be addressed by research. In the literature concerning SDR software architecture and requirements, the technology requirements tend to be sidelined. This is mainly because, in the JTRS program, the focus is on voice and low data rate applications; also, the frequency band is limited to UHF. On the other hand, the implementation cost is less of a concern for now. However, by the emergence of advance warfare technology where it is required to transport more bits per warrior to accommodate video and telemetry data, and also by introducing initiatives similar to the JTRS to other communication systems, the technology requirements of SDR have to be revisited. The paper focuses on the hardware technology aspect of SDR. The main technical objective of SDR is a versatile reconfigurable platform, which provides interoperability. The main blocks of a true SDR are: intelligent antenna; programmable RF modules; high-performance digital-to-analog (DAC) and analog-to-digital converters (ADC); digital signal processing (DSP) techniques/technology; interconnection technology.
Robot-assisted partial nephrectomy for sporadic ipsilateral multifocal renal tumours.

OBJECTIVE To report our short-term results of robot-assisted partial nephrectomy for treating sporadic multiple ipsilateral renal tumours. METHODS Over a 3-year period, eight patients with two or more ipsilateral renal masses underwent nine robotic partial nephrectomies in our institution. We evaluated the PADUA and R.E.N.A.L. nephrometry scores, intraoperative outcomes, histopathological characteristics, complications according to Clavien classification and renal function outcomes. RESULTS In total, 19 tumours were removed from eight patients in nine procedures. Mean operative time was 199 ± 47 min (median 200; range 150-300). Mean size of the dominant lesion was 3.0 ± 1.1 cm (2.7; 1.6-4.8) and overall mean tumour size was 2.2 ± 1.2 cm (1.9; 0.4-4.8). Mean number of tumours removed per patient was 2.4. Median PADUA and R.E.N.A.L. scores were 7 and 6 (with the predominance of an anterior, non-hilar position), respectively. Excluding the six off-clamp resected tumours, the mean warm ischaemia time was 21 ± 9.2 min (21; 10-35). Mean estimated blood loss was 250 ± 154 mL (200; 100-500) and no patient required transfusion. There were no intraoperative complications or conversion to open surgery. One patient had atrial fibrillation, resolved with anti-arrhythmic drugs. Mean length of stay was 4.2 ± 0.97 days. Sixteen of the nineteen tumours were malignant, most of papillary type and Fuhrman grade II. The mean decrease in glomerular filtration rate was 4%, with a mean follow-up of 14 months. CONCLUSIONS Robotic partial nephrectomy for sporadic ipsilateral multifocal renal tumours is feasible and safe. Off-clamp resection of multiple tumours can also be safely performed in carefully selected lesions.
Synthetic, electrochemical, and structural studies on heterobimetallic crown thioether complexes with Group 10 metals: the crystal structures of [Pt(9S3)(dppf)](PF6)2·CH3NO2 and [Pd(9S3)(dppf)](PF6)2·CH3NO2

Abstract The syntheses, electrochemistry, and crystal structures for two new Pt(II) and Pd(II) heteroleptic bimetallic complexes with the crown trithioether 1,4,7-trithiacyclononane (9S3) and the diphosphine ligand, 1,1′-bis(diphenylphosphino)ferrocene (dppf) are reported. Both complexes have the general formula [M(9S3)(dppf)](PF6)2 (M=Pt or Pd) and exhibit the anticipated structure forming a distorted cis square planar array of two sulfur atoms from the 9S3 and two phosphorus atoms. These are, to our knowledge, the first reported examples of dppf transition metal complexes involving a thioether as the ancillary ligand. The dppf ligand functions as a bidentate chelator to a single metal center, and the third 9S3 sulfur atom does interact with the metal ion from a greater distance (PtS=2.8167(8) A; PdS=2.7916(5) A) to yield an elongated square pyramidal geometry. The two structures are isomorphous with very similar bond distances and angles. The values for the 31P-NMR chemical shifts (Pt=15.09 ppm, Pd=−0.47 ppm), the 195Pt-NMR chemical shift for the Pt(II) complex (−4353 ppm) and 1J(195Pt–31P) coupling constants (3511 Hz) are all consistent with a cis-MS2P2 square planar coordination sphere. The 9S3 ligand is fluxional in solution for both complexes. The electrochemistry of both complexes is dominated by a reversible Fe(II)/Fe(III) couple from the ferrocene moiety (E1/2=+721 mV for Pt(II), +732 mV for Pd(II), both versus Fc/Fc+).
The Effects of Mood on Moral Judgment: The Role of Self‐Monitoring

After being induced, via film clips, into either a positive (happy) or negative (sad) mood, high and low self-monitors completed a moral reasoning task (the Defining Issues Test). The results indicate that mood had a significant impact on the moral decision making of low, but not high self-monitors. In particular, low self-monitors induced into a positive mood demonstrated more sophisticated and principled moral reasoning strategies than did low self-monitors induced into a negative mood. In contrast, the level of moral reasoning among high self-monitors did not differ significantly as a function of induced mood. jasp_864 2928..2942
Reply to "Comment about pion electroproduction and the axial form factors"

It is shown that comments by Guichon [hep-ph/0012126], and also by Bernard, Kaiser, and Mei{\ss}ner [hep-ph/0101062], regarding my recent criticism [Phys. Rev. Lett. 85, 3576 (2000)] of how the axial form factor is supposed to enter pion electroproduction do not address the main point of my argument and therefore are irrelevant.
Integrated bioinformatics software at NCBI

The National Center for Biotechnology Information (NCBI) provides a number of tools important in the bioinformatics analysis of proteins, nucleic acid sequences, genes, and their biological significance. The user is allowed to start at the whole-genome level and reach the protein three-dimensional structural detail level. Links and software integration permit an easy flow of information between different resources. This review will focus on all those tools that are not related to the detection of homology (see Detecting protein homology using NCBI tools). Keywords: NCBI tools; UniGene; COGs; Map Viewer; ProtEST; CDD; CDART; VAST
Element Stiffness Matrix Generator

This paper presents the basic concepts required to construct a computer code capable of deriving element stiffness matrices. The computer program requires only the displacement functions, transformation matrices, and a few control cards as input. The computer code assembles a complete element stiffness matrix for any type of configuration and displacement functions of any order. The matrix is stored in an alpha-numeric array. The final form is printed in terms of numerical coefficients and material and geometric properties of the element in symbol form. The output is received printed or punched on cards ready for incorporation into existing finite element computer codes. Examples are presented for a two-dimensional triangular plate element in which the displacements are represented in terms of area coordinates. However, the concept is not limited to local coordinate representations of displacement functions or to two-dimensional problems.
A compact set with noncompact disc-hull

The disc-hull of a set is the union of the set arid all HiX discs whose boundaries lie in the set. We give an example of a, compact set in C2 whose disc-hull is not compact, answering a question posed by P. Ahern and W. Rudin. The polynomial hull of a compact set X c C'" is the set X of all points x E C"' at which the inequality IP(x)l : U --* C,7 is a non-constant map whose components are in H' (U), its range d>(U) is called an H?-disc, parametrized by d>. If lim.,/1(4>(rei0)) E X for almost all e'O on the unit circle T, then 4)(U) is an H'-disc whose boundary lies in X." They further define the disc-hull D(X) to be the union of X and all Hc-discs whose boundaries lie in X. Because of the maximum principle, D(X) C X. One of the questions posed in [1] (see p. 25) is whether the disc-hull D(X) is always compact for a compact set X C C". Below we answer this question negatively by constructing a counter-exaimple in c2 1. Define w {z E U: Rez > 4 Let Ro: U -> W be the Riemann map satisfying o(+i) = 1 + 23i and ,o(1) = 1. Therefore Re,o(e&0) = 2 for Ree0o ,cn(0) = 0. 2. Let X {((, ?7) E C2 ( E T, q E F(}, where the fiber F, is defined as follows. 1( = T for Re( > 0, 1T( U for ( ?i, and 1( {f01(() 'n E N} U {0} for ReX D? (0) (0, 0); therefore (0, 0) E D(X). Received by the editors August 31, 1999. 2000 Mathematics Subject Classification. Primary 32E20.
Application of the Galerkin method in the solution of combustion-instability problems.

A new approach for the solution of combustion instability problems is presented. In this study the Galerkin method is used to analyze the behavior of the flow field in a rocket combustor with mass, momentum and energy sources present on its boundaries and in the flow field. The presence of sources on the boundaries results in mathematically complicated boundary conditions that must be satisfied by the solutions. The “classical” Galerkin method, which was previously used in cases where the solution of the problem had to satisfy relatively simple boundary conditions, is modified in order to satisfy the more complicated boundary conditions which are encountered in combustion instability problems. The applicability of the modified Galerkin method is demonstrated when it is used to solve a specific problem whose solution is available. It is shown that the results produced by the Galerkin method are in complete agreement with the available solution.
A 20/30 GHz personal access satellite system design

A strawman design for a personal access satellite system (PASS) to provide low-bit-rate voice and data services to users in the contiguous United States (CONUS) in the early 2000s using the 20/30 GHz band is presented. As currently envisaged, the PASS system links suppliers throughput CONUS with users in 142 fixed spot beams of 0.35 degrees beamwidth in one satellite hop; user-to-user communication requires two satellite hops. Through the use of time-division multiple access (TDMA) on the forward link and frequency-division multiple access (FDMA) on the return link, this system will support 2000 duplex voice channels at 4.8 kb/s with a satellite of moderate size and weight. For the user terminal, four antenna designs that trade-off compact size, cost, and electrical performance are described. Last, an experimentation plan taking advantage of planned Ka-band satellite capabilities is outlined. >
Destination Library: Validating the Importance of Physical Space

In May 2013, a space initiative project was launched in an effort to answer the following question posed by the Memorial Sloan Kettering (MSK) Library staff: With the increased use of mobile devices and the availability of information anywhere, anytime, what activities or tasks does our user community engage in while at the Library? Data were gathered in several ways— daily counts to determine client workstation occupancy, an informal survey interview conducted three times a day with walk-in clients, and staff observations. Data collection periods were scheduled in summer 2013, fall 2013, and winter 2014. Analysis of the information collected revealed that for many survey respondents, the space represents an extension of their work environment. Although most of the MSK Library’s collection is available electronically, the physical space is important and valued by this user community as a “go-to” place for leisure, work, or library-related activities.
Sleep Apnea Symptoms as a Predictor of Fatigue in an Urban HIV Clinic

Fatigue is common among persons living with HIV (PLWH), and risk factors for obstructive sleep apnea (OSA) such as older age and obesity are increasingly prevalent. Studies of OSA among PLWH are lacking, so we aimed to characterize OSA symptoms and associated clinical consequences (e.g., fatigue) among a contemporary population of PLWH. Self-administered surveys containing 23 items that included self-reported snoring, witnessed apneas, estimated sleep duration, the Epworth Sleepiness Score (ESS), and the FACIT-Fatigue score were mailed to PLWH receiving care at an urban HIV clinic. Clinical/demographic data were collected from the medical record. Multivariable linear regression models were created to study relationships between fatigue, clinical variables, and OSA symptoms. Of 535 surveys, 203 (38%) responded. Eight patients (3.9%) had known OSA. Among those without known OSA, mean respondent characteristics included: age 47 years; 80% male, 41% African American, 48% Caucasian, BMI 26.4 kg/m(2), duration of HIV diagnosis 12 years, 93% on antiretroviral therapy, and 81% with <50 HIV RNA copies/mL. 27% reported snoring, 24% reported witnessed apneas, and 38% had excessive daytime sleepiness. Witnessed apnea was the strongest independent predictor of fatigue (lower FACIT-Fatigue score; β = -6.49; p < 0.001); this difference of 6.49 points exceeds the accepted minimal clinically important difference of 3.0 points. Other predictors included opioid use (β = -5.53; p < 0.001), depression (β = -4.18; p = 0.02), antidepressant use (β = -4.25; p = 0.02), and sleep duration < 6 h (β = -3.42; p = 0.02). Our data strongly support the need for increased efforts directed at OSA screening and treatment in PLWH.
On theme location discovery for travelogue services

In this paper, we aim to develop a travelogue service that discovers and conveys various travelogue digests, in form of theme locations, geographical scope, traveling trajectory and location snippet, to users. In this service, theme locations in a travelogue are the core information to discover. Thus we aim to address the problem of theme location discovery to enable the above travelogue services. Due to the inherent ambiguity of location relevance, we perform location relevance mining (LRM) in two complementary angles, relevance classification and relevance ranking, to provide comprehensive understanding of locations. Furthermore, we explore the textual (e.g., surrounding words) and geographical (e.g., geographical relationship among locations) features of locations to develop a co-training model for enhancement of classification performance. Built upon the mining result of LRM, we develop a series of techniques for provisioning of the aforementioned travelogue digests in our travelogue system. Finally, we conduct comprehensive experiments on collected travelogues to evaluate the performance of our location relevance mining techniques and demonstrate the effectiveness of the travelogue service.
Intravascular Ultrasound Predictors of Angiographic Restenosis in Lesions Treated With Palmaz-Schatz Stents

Abstract Objectives. This study sought to evaluate the clinical, procedural, preinterventional and postinterventional quantitative coronary angiographic (QCA) and intravascular ultrasound (IVUS) predictors of restenosis after Palmaz-Schatz stent placement. Background. Although Palmaz-Schatz stent placement reduces restenosis compared with balloon angioplasty, in-stent restenosis remains a major clinical problem. Methods. QCA and IVUS studies were performed before and after intervention (after stent placement and high pressure adjunct balloon angioplasty) in 382 lesions in 291 patients treated with 476 Palmaz-Schatz stents for whom follow-up QCA data were available 5.5 ± 4.8 months (mean ± SD) later. Univariate and multivariate predictors of QCA restenosis (≥50% diameter stenosis at follow-up, follow-up percent diameter stenosis [DS] and follow-up minimal lumen diameter [MLD]) were determined. Results. Three variables were the most consistent predictors of the follow-up angiographic findings: ostial lesion location, IVUS preinterventional lesion site plaque burden (plaque/total arterial area) and IVUS assessment of final lumen dimensions (whether final lumen area or final MLD). All three variables predicted both the primary (binary restenosis) and secondary (follow-up MLD and follow-up DS) end points. In addition, a number of variables predicted one or more but not all the end points: 1) restenosis (IVUS preinterventional lumen and arterial area); 2) follow-up DS (QCA lesion length); and 3) follow-up MLD (QCA lesion length and preinterventional MLD and DS and IVUS preinterventional lumen and arterial area). Conclusions. Ostial lesion location and IVUS preinterventional plaque burden and postinterventional lumen dimensions were the most consistent predictors of angiographic in-stent restenosis.
Assessing Consumer Health Vocabulary Familiarity: An Exploratory Study

Background: Accurate assessment of the difficulty of consumer health texts is a prerequisite for improving readability. General purpose readability formulas based primarily on word length are not well suited for the health domain, where short technical terms may be unfamiliar to consumers. To address this need, we previously developed a regression model for predicting “average familiarity” with consumer health vocabulary (CHV) terms. Objective: The primary goal was to evaluate the ability of the CHV term familiarity model to predict (1) surface-level familiarity of health-related terms and (2) understanding of the underlying meaning (concept familiarity) among actual consumers. Secondary goals involved exploring the effect of demographic factors (eg, health literacy) on surface-level and concept-level familiarity and describing the relationship between the two levels of familiarity. Methods: Survey instruments for assessing surface-level familiarity (45 items) and concept-level familiarity (15 items) were developed. All participants also completed a demographic survey and a standardized health literacy assessment, S-TOFHLA. Results: Based on surveys completed by 52 consumers, linear regression suggests that predicted CHV term familiarity is a statistically significantly predictor ( P < .001) of participants’ surface-level and concept-level familiarity performance. Health literacy was a statistically significant predictor of surface-level familiarity scores ( P < .001); its effect on concept-level familiarity scores warrants further investigation ( P = 0.06). Educational level was not a significant predictor of either type of familiarity. Participant scores indicated that conceptualization lagged behind recognition, especially for terms predicted as “likely to be familiar” ( P = .006). Conclusions: This exploratory study suggests that the CHV term familiarity model is predictive of consumer recognition and understanding of terms in the health domain. Potential uses of such a model include readability formulas tailored to the consumer health domain and tools to “translate” professional medical documents into text that is more accessible to consumers. The study also highlights the usefulness of distinguishing between surface-level term familiarity and deeper concept understanding and presents one method for assessing familiarity at each level. [J Med Internet Res 2007;9(1):e5]
Cross-Platform Performance of a Portable Communication Module and the Nasa Finite Volume General Circulation Model

The National Aeronautics and Space Administration (NASA) finite-volume general circulation model (fvGCM) is a global atmospheric model, originally developed for long-term climate simulations. Recently, the NASA fvGCM has been applied in a variety of weather prediction applications, including hurricane and winter storm forecasts. Achieving efficient throughput on a variety of computational platforms is essential to meet the needs of the climate and weather prediction community. We have developed a scalable and portable climate/weather prediction system by applying a portable communication module within a fast numerical algorithm that exceeds the current community demands for computational performance on a variety of high performance computing platforms. The low-level communication module, Mod_Comm, simplifies interprocess communication within GCMs and provides an efficient means of communicating between decomposed global domains using a variety of single-threaded and multithreaded data communication paradigms (MPI-1, MPI-2, SHMEM, and MLP). Mod_Comm has been implemented within the NASA fvGCM and the Community Atmosphere Model (CAM) at the National Center for Atmospheric Research. It is shown that the optimal choice of data communication paradigm varies from system to system, and can have a significant impact on the overall model performance. Performance studies with the NASA fvGCM reveal substantial improvements in the computational performance when using this low-level communication module, throughput improvements of 40% or more have been observed on various platforms including the SGI Altix 3700, SGI Origin 3000, Compaq AlphaServerSC, IBM SP, and Cray.
On the dynamic order of structured Escherichia coli growth models

Reliable dynamic descriptions of cellular growth are important for many practical applications including bioreactor design and control. A chemically structured growth model of Escherichia coli has been formulated and herein we focus on finding the essential dynamic order of the metabolic part of this model. Standard linear analysis is applied and the main finding is that the model contains three essential modes of motion over the time scale of growth. The doubling time is successfully predicted from an unstable growth motion and the metabolite composition of the three modes of motion suggests that only a three pool metabolic model is necessary. The three pools correspond to important groups of macromolecules; protein, nucleic acids and cell wall constituents.