cssi/SciSciGPT-SciSciNet huggingface dataset:
Towards accurate modeling of noncovalent interactions for protein rigidity analysis

Protein rigidity analysis is an efficient computational method for extracting flexibility information from static, X-ray crystallography protein data. Atoms and bonds are modeled as a mechanical structure and analyzed with a fast graph-based algorithm, producing a decomposition of the flexible molecule into interconnected rigid clusters. The result depends critically on noncovalent atomic interactions, primarily on how hydrogen bonds and hydrophobic interactions are computed and modeled. Ongoing research points to the stringent need for benchmarking rigidity analysis software systems, towards the goal of increasing their accuracy and validating their results, either against each other and against biologically relevant (functional) parameters. We propose two new methods for modeling hydrogen bonds and hydrophobic interactions that more accurately reflect a mechanical model, without being computationally more intensive. We evaluate them using a novel scoring method, based on the B-cubed score from the information retrieval literature, which measures how well two cluster decompositions match. To evaluate the modeling accuracy of KINARI, our pebble-game rigidity analysis system, we use a benchmark data set of 20 proteins, each with multiple distinct conformations deposited in the Protein Data Bank. Cluster decompositions for them were previously determined with the RigidFinder method from Gerstein's lab and validated against experimental data. When KINARI's default tuning parameters are used, an improvement of the B-cubed score over a crude baseline is observed in 30% of this data. With our new modeling options, improvements were observed in over 70% of the proteins in this data set. We investigate the sensitivity of the cluster decomposition score with case studies on pyruvate phosphate dikinase and calmodulin. To substantially improve the accuracy of protein rigidity analysis systems, thorough benchmarking must be performed on all current systems and future extensions. We have measured the gain in performance by comparing different modeling methods for noncovalent interactions. We showed that new criteria for modeling hydrogen bonds and hydrophobic interactions can significantly improve the results. The two new methods proposed here have been implemented and made publicly available in the current version of KINARI (v1.3), together with the benchmarking tools, which can be downloaded from our software's website, http://kinari.cs.umass.edu .
Why fewer women become physicians: Explaining the premed persistence gap

Previous research indicates that the answer to the question of why fewer women become physicians lies in the “premed persistence gap.” Women are no less likely than men to enter undergraduate premed programs, but they are less likely to complete the program and apply to medical school. This article presents data from a study designed to test four plausible explanations of the persistence gap that are consistent with the structural barriers, normative barriers, and cognitive differences theories of gender inequality. The findings do not support the “perception of discrimination” hypothesis, the “discouragement” hypothesis, the “self-derogation” hypothesis, and the “anticipated role conflict” hypothesis. Rather, the evidence suggests another explanation — the normative alternatives approach. This approach holds that contemporary gender norms offer women fewer disincentives to changing or lowering their high-status career goals when encountering hardship, self-doubt, and the possibility of failure.
Relation of Routine, Periodic Fasting to Risk of Diabetes Mellitus, and Coronary Artery Disease in Patients Undergoing Coronary Angiography

Previously we discovered that routine periodic fasting was associated with a lower prevalence of coronary artery disease (CAD). Other studies have shown that fasting increases longevity in animals. A hypothesis-generating analysis suggested that fasting may also associate with diabetes. This study prospectively tested whether routine periodic fasting is associated with diabetes mellitus (DM). Patients (n = 200) undergoing coronary angiography were surveyed for routine fasting behavior before their procedure. DM diagnosis was based on physician reports of current and historical clinical and medication data. Secondary end points included CAD (physician reported for ≥ 1 lesion of ≥ 70% stenosis), glucose, and body mass index (BMI). Meta-analyses were performed by evaluation of these patients and 448 patients from a previous study. DM was present in 10.3% of patients who fasted routinely and 22.0% of those who do not fast (odds ratio [OR] 0.41, 95% confidence interval [CI] 0.17 to 0.99, p = 0.042). CAD was found in 63.2% of fasting and 75.0% of nonfasting patients (OR 0.42, CI 0.21 to 0.84, p = 0.014), and in nondiabetics this CAD association was similar (OR 0.38, CI 0.16 to 0.89, p = 0.025). Meta-analysis showed modest differences for fasters versus nonfasters in glucose concentrations (108 ± 36 vs 115 ± 46 mg/dl, p = 0.047) and BMI (27.9 ± 5.3 vs 29.0 ± 5.8 kg/m(2), p = 0.044). In conclusion, prospective hypothesis testing showed that routine periodic fasting was associated with a lower prevalence of DM in patients undergoing coronary angiography. A reported fasting association with a lower CAD risk was also validated and fasting associations with lower glucose and BMI were found.
Variations induced by different methodologies in Trypanosoma cruzi surface antigen profiles

Abstract An attempt was made to reconcile published data on the cell surface profile of Trypanosoma cruzi epimastigotes. Cloned parasites were used to compare the effects of centrifugal forces, radioiodination catalyst and protein solubilization methods on the autoradiographic profile of putative surface antigens. Harvesting and washing procedures, and antigen extraction methods, greatly influenced the results obtained, whilst the iodination catalyst was not of critical importance. Mobility in different gel electrophoresis systems, Western blots and partial proteolysis maps indicated that two previously described epimastigote-specific surface antigens (GP72 and M r 75 000) possibly are distinct molecules.
Specification of commodity subsets for separable utility functions

The present paper differs from previous works since it is concerned with the conditions under which commodities are grouped in separable utility functions. The conditions are derived theoretically and then tested empirically. This provides a solid basis under which commodities can he properly grouped without employing an a priori reasoning process that could result in misspecification of the utility function. The conditions are derived and tested for three principal types of separable utility functions: utility tree, block additivity, and additivity. In the case of directly additive utility functions, the goods are treated as Hicksian composite commodities rather than specific goods. The general conditions for grouping apply to directly additive functions so that each composite commodity is treated as belonging to a separate subset. The data for commodity expenditure in constant dollars and prices of commodities are taken from The National Income and Product Accounts of the United States, 1929–1965, Statistical Tables, Table 2.6 and Table 8.6 respectively. The conditions necessary for specification of the commodity subsets are derived from the properties of each Separability situation and are empirically tested in an iterative fashion similar to the cochranc-orcutt autoregressive technique.
Probing the role of the sodium/calcium exchanger in pentylenetetrazole-induced generalized seizures in rats

The Na⁺/Ca²⁺ exchanger (NCX) is thought to play an important role in the pathogenesis of pentylenetetrazole (PTZ)-induced tonic flexion in mice. Here, I investigated the expression of PTZ-induced generalized clonic and tonic-clonic seizures in rats, using two potent NCX reverse mode inhibitors, KB-R7943 and SN-6 for NCX subtypes 3 (NCX3) and 1 (NCX1), respectively. Pretreatment with KB-R7943 (3, 10, and 30 mg/kg; p.o.) significantly reduced the expression of PTZ-induced generalized seizures with clonic and tonic-clonic components in 12-62% and 25-62% of the treated animals, respectively. In the remaining animals that exhibited seizures, KB-R7943 (3 mg/kg; p.o.) pretreatment significantly delayed the onset of the first seizure episode and reduced the seizure severity. Following pretreatment with SN-6 (0.3, 1, 3, 10, and 30 mg/kg; p.o.), clonic and tonic-clonic PTZ-induced generalized seizures were reduced in 25-50% and 38-63% of treated animals, respectively. SN-6 (0.3, 1, and 3 mg/kg; p.o.) also significantly reduced PTZ-induced seizure severity scores, but did not alter seizure latencies. KB-R7943 (3 and 30 mg/kg; p.o.) or SN-6 (3 and 30 mg/kg; p.o.) administration potentiated the sub-anticonvulsant dose of diazepam (2.5 mg/kg; i.p.) that suppresses clonic and tonic-clonic PTZ-induced seizures. These findings suggested that Ca²⁺ influx via the NCX in reverse mode contributes to a neuronal hyperexcitability that leads to clonic and tonic-clonic generalized seizures and that the NCX1 and NCX3 isoforms may serve as novel molecular targets for seizure suppression.
Black carbon aerosol-induced Northern Hemisphere tropical expansion

Global climate models (GCMs) underestimate the observed trend in tropical expansion. Recent studies partly attribute it to black carbon (BC) aerosols, which are poorly represented in GCMs. We conduct a suite of idealized experiments with the Community Atmosphere Model version 4 coupled to a slab ocean model forced with increasing BC concentrations covering a large swath of the estimated range of current BC radiative forcing while maintaining their spatial distribution. The Northern Hemisphere (NH) tropics expand poleward nearly linearly as BC radiative forcing increases (0.7° W−1 m2), indicating that a realistic representation of BC could reduce GCM biases. We find support for the mechanism where BC-induced midlatitude tropospheric heating shifts the maximum meridional tropospheric temperature gradient poleward resulting in tropical expansion. We also find that the NH poleward tropical edge is nearly linearly correlated with the location of the Intertropical Convergence Zone, which shifts northward in response to increasing BC.
Leading Online: An Autoethnography Focused On Leading An Instructional Focus On Student Learning In An Online School

Thesis (Ph.D.), Department of Educational Leadership and Counseling Psychology, Washington State University
Supporting reconfigurable security policies for mobile programs

Programming models that support code migration have gained prominence, mainly due to a widespread shift from stand-alone to distributed applications. Although appealing in terms of system design and extensibility, mobile programs are a security risk and require strong access control. Further, the mobile code environment is fluid, i.e. the programs and resources located on a host may change rapidly, necessitating an extensible security model. In this paper, we present the design and implementation of a security infrastructure. The model is built around an event=response mechanism, in which a response is executed when a security-related event occurs. We support a fine-grained, conditional access control language, and enforce policies by instrumenting the bytecode of protected classes. This method enhances efficiency and promotes separation of concerns between security policy and program specification. This infrastructure also allows security policies to change at runtime, adapting to varying system state, intrusion, and other events. © 2000 Published by Elsevier Science B.V. All rights reserved.
Thermo-Mechanical Behavior of Nickel-Coated Nano- Aluminum Particles

Thermo-mechanical behavior of nickel coated nano-aluminum particles, in the size range of 4-16 nm, is studied using molecular dynamics simulations. The analysis is carried out in isothermal-isobaric and isochoric-isoenergetic ensembles using an embedded atom method. Emphasis is laid on analyzing the melting of Al core, diffusion of Al and Ni atoms, and intermetallic reactions for different core sizes and shell thicknesses. The melting point of the Al core is found to exceed the heterogeneous melting point of pure nAl particle and approach the homogenous melting point of Al, irrespective of the shell thickness. The diffusion of Al atoms, after melting, is accompanied by self-sustaining inter-metallic reactions between Al and Ni atoms. The advent of these reactions is, to some extent, delayed for a thicker shell and expedited for a larger core. The amount of heat release due to the reactions increases as the Al or Ni atomic fraction increases to 0.5. Adiabatic reaction temperatures close to 2300 K are predicted for near-equiatomic particles with a 1 nm thick Ni shell. The simulation results indicate the possibility of ignition of these particles in an inert environment and also help in explaining their reduced ignition temperatures.
The Occurrence of Potential Patient Safety Events Among Trauma Patients: Are They Random?

Objective: The Patient Safety Indicators (PSIs) from the Agency for Healthcare Research and Quality are validated measures of quality of care. The pattern of PSIs among adult trauma patients is unknown. Hypothesis: The occurrence of PSI events should be random and have no identifiable pattern across age, gender, and racial groups in trauma, because trauma services are designed to be an equal-access system. Design: Retrospective analysis of a nationally representative dataset. Setting: Nationwide Inpatient Sample (representative 20% sample from 37 states) for 5 years (2000 through 2004). Patients: Patients aged 18 admitted primarily for trauma. Outcomes: Occurrence of at least one of the applicable PSIs on multiple logistic regression analysis, with confirmation by sensitivity analysis. Results: A total of 1.35 million trauma patients were identified, with 19,338 patients (1.43%) experiencing at least one of the applicable PSIs. On multivariate analysis, controlling for injury severity and disease comorbidity, the adjusted odds ratios (ORs) for occurrence of at least 1 applicable PSI were noted to increase for patients who are 1) above age 35, 2) male gender (OR 1.25, 95% CI 1.19‐1.31), and 3) black (OR 1.20 vs. whites, 95% CI 1.10-1.30) but not for any other racial groups. These results did not change significantly on sensitivity analysis. Conclusions: Patients who are above age 35, male gender, and black are associated with increased likelihood of experiencing a patient safety event in trauma care. When all else is equal, black patients are approximately 20% more likely than any other racial groups to experience a patient safety event, even after controlling for injury severity and disease comorbidity. These findings can help
Basava's Spiritual Struggle

The purpose of this essay is to investigate and critically analyse some of the formative factors which led to the spiritual maturation of a leading Vīraśaiva saint, Basava (1106–68). This inquiry focuses on a single event in the life of this great reformer of medieval times, i.e. his spiritual conflict leading to his rejection of the upanayana (investiture of the sacred thread) ceremony. The study will proceed through an investigation of the earliest and subsequent sources which veil the personality of Basava. The traditional view will be challenged as one-sided. By critically comparing the sources, a more comprehensive and plausible account will be suggested.
Footprinting, circular dichroism and UV melting studies on neomycin B binding to the packaging region of human immunodeficiency virus type-1 RNA

We have studied the binding of neomycin to a 171mer RNA (ψ-RNA) from the packaging region of the LAI strain of human immunodeficiency virus type-1, HIV-1 (LAI). The RNase I footprinting studies reveal that the primary binding site for the drug is in stem–loop 1, which contains the dimer initiation site of HIV-1. Loading this site with neomycin causes a structural change in the RNA, allowing nucleotides in the neighboring stem–loop 2 to participate in the drug site. Drug binding to secondary sites induces structural changes in other stem–loops of the RNA. Footprinting plots, showing cutting at a site as a function of drug concentration, were analyzed using a two-state model to obtain relative site-specific binding constants. Circular dichroism measurements show that neomycin binding to ψ-RNA changes the intensity of the strong negative CD band at 208 nm, confirming that neomycin induces structural changes. Melting studies of the RNA showed melting transitions in the absence of drug at 28.2, 37.2, 47.4, 55.5 and 60.8°C. Only the first two were affected by drug binding, the reason for this being explained by our analysis.
Beam injection methods for characterizing thin‐film solar cells

II–VI and I–III–VI solar cells are promising for future thin-film photovoltaics. In this paper, the roles of electron-beam-induced current (EBIC) and cathodoluminescence in evaluating the influence of interfaces on those solar cells are reviewed. CdTe and Cu(In,Ga)Se2 (CIGS) are the absorbers of the cells investigated. For CdTe/CdS solar cells, a detailed study has been conducted of the effects of grain boundaries and the Te/CdTe or ZnTe:Cu/CdTe interfaces for back-contacting. For CIGS solar cells, we have investigated different buffer layer schemes, showing that these interfaces are critical in the definition of the mechanisms for carrier collection. Copyright © 2002 John Wiley & Sons, Ltd.
Pref-1 (preadipocyte factor 1) activates the MEK/extracellular signal-regulated kinase pathway to inhibit adipocyte differentiation.

Preadipocyte factor 1 (Pref-1) is found in preadipocytes but is absent in adipocytes. Pref-1 is made as a transmembrane protein but is cleaved to generate a biologically active soluble form. Although Pref-1 inhibition of adipogenesis has been well studied in vitro and in vivo, the signaling pathway for Pref-1 is not known. Here, by using purified soluble Pref-1 in Pref-1 null mouse embryo fibroblasts (MEF), we show that Pref-1 increases MEK/extracellular signal-regulated kinase (ERK) phosphorylation in a time- and dose-dependent manner. Compared to wild-type MEF, differentiation of Pref-1 null MEF into adipocytes is enhanced, as judged by lipid accumulation and adipocyte marker expression. Both wild-type and Pref-1 null MEF show a transient burst of ERK phosphorylation upon addition of adipogenic agents. Wild-type MEF show a significant, albeit lower, second increase in ERK phosphorylation peaking at day 2. This ERK phosphorylation, corresponding to Pref-1 abundance, is absent during differentiation of Pref-1 null MEF. Prevention of this second increase in ERK1/2 phosphorylation in wild-type MEF by the MEK inhibitor PD98059 or by transient depletion of ERK1/2 via small interfering RNA-enhanced adipocyte differentiation. Furthermore, treatment of Pref-1 null MEF with Pref-1 restores this ERK phosphorylation, resulting in inhibition of adipocyte differentiation primarily by preventing peroxisome proliferator-activated receptor γ2 induction. However, in the presence of PD98059 or depletion of ERK1/2, exogenous Pref-1 cannot inhibit adipocyte differentiation in Pref-1 null MEF. We conclude that Pref-1 activates MEK/ERK signaling, which is required for Pref-1 inhibition of adipogenesis.
Orbitofrontal correlates of aggression and impulsivity in psychiatric patients

The association between orbital frontal cortex (OFC) volume and aggression and impulsivity was investigated among a heterogeneous group of non-psychotic psychiatric clients. Fifteen non-psychotic subjects from two different psychiatric clinics (New England Medical Center and Lemuel Shattuck Hospital) with a variety of diagnoses were sequentially referred for magnetic resonance imaging (MRI) for clinical purposes. This convenience sample, clinically stable at the time of evaluation, received a standardized psychiatric diagnostic interview, aggression and impulsivity psychometrics (Barratt Impulsivity, Lifetime History of Aggression, and Buss-Perry Aggression scales), and an MRI protocol with image analysis. OFC gray matter volume, total as well as left and right, was significantly and positively associated with motor impulsivity. OFC asymmetry was associated with aggression, though total, left, and right OFC volume measurements were not. For subjects without affective disorder, there was a strong and positive association of the OFC to motor and no-planning subscales of the Barratt Impulsivity Scale. For subjects with affective disorder, there was a strong association of OFC asymmetry to both of the aggression psychometrics. Consistent with expectation, results are suggestive of OFC involvement in the neural circuitry of impulsivity and aggression. The findings suggest a dissociation of the role of the OFC in relation to aggression and impulsivity, such that the OFC may play a part in the regulation of aggressive behavior and a generative role in impulsive behavior.
Source apportionment of time- and size-resolved ambient particulate matter

Abstract Size- and time-resolved particulate matter samples collected using eight-stage Davis Rotating-drum Universal-size-cut Monitoring (DRUM) impactors at the Washington-Dulles International Airport were analyzed for the elemental composition using synchrotron X-ray fluorescence. A physically realistic three-way factor analysis model consisting of the outer products of matrices (profiles) times a vector of mass contributions was applied to these data. The problem was solved using a weighted alternating least squares method. Five major emission sources: soil, road salt, aircraft landings, transported secondary sulfate, and local sulfate/construction were identified. The study shows that time- and size-resolved RDI data can assist in the identification of the airport emission sources and atmospheric processes leading to the observed ambient concentrations.
Diagnosis of acute neurological emergencies in pregnant and post-partum women

Summary Acute neurological symptoms in pregnant and post-partum women could be caused by exacerbation of a pre-existing neurological condition, the initial presentation of a non-pregnancy-related problem, or a new acute-onset neurological problem that is either unique to or occurs with increased frequency during or just after pregnancy. Pregnant and postpartum patients with headache and neurological symptoms are often diagnosed with pre-eclampsia; however, a range of other causes must also be considered, such as cerebral venous sinus thrombosis and reversible cerebral vasoconstriction syndrome. Precise diagnosis is essential to guide subsequent management. Our ability to differentiate between the specific causes of acute neurological symptoms in pregnant and post-partum patients is likely to improve as we learn more about the pathogenesis of these disorders.
Unusual Haplotype Structure at the Proximal Breakpoint of In(2L)t in a Natural Population of Drosophila melanogaster

The existence of temporally stable frequency clines for In(2L)t in natural populations of Drosophila melanogaster suggests a role for selection in the maintenance of this polymorphism. We have collected nucleotide polymorphism data from the proximal breakpoint junction regions of In(2L)t to infer its evolutionary history. The finding of a novel LINE-like element near the In(2L)t breakpoint junction in sampled inverted chromosomes supports a transposable element-mediated origin for this inversion. An analysis of nucleotide variation in a Costa Rican population sample of standard and inverted chromosomes indicates a unique and relatively recent origin for In(2L)t. Additional In(2L)t alleles from three geographically diverse populations reveal no detectable geographic differentiation. Low levels of In(2L)t nucleotide polymorphism suggest a recent increase in the inversion's frequency in tropical populations. An unusual feature of our sample of standard alleles is a marked heterogeneity in levels of linkage disequilibrium among polymorphic sites across the breakpoint region. We introduce a test of neutral equilibrium haplotype structure that corrects both for multiple tests and for an arbitrarily chosen window size. It reveals that an approximately 1.4-kb region immediately spanning the breakpoint has fewer haplotypes than expected under the neutral model, given the expected level of recombination in this genomic region. Certain features of our data suggest that the unusual pattern in standard chromosomes is the product of selection rather than demography.
Forecasting monthly streamflow dynamics in the western United States: a nonlinear dynamical approach

Abstract An attempt is made in the present study to understand the dynamics of monthly streamflow in the western United States from a nonlinear dynamical perspective. For this purpose, streamflow data observed at 79 stations across 11 states in the western United States are analyzed. A nonlinear prediction method with a local approximation approach is employed. The method uses the concept of phase-space reconstruction to represent the underlying dynamics, i.e. reconstruction of the single-dimensional (or variable) streamflow series in a multi-dimensional phase-space. The analysis is carried out by grouping the 79 stations under three categories, on the basis of the magnitude of (mean) streamflow, as: (1) low-flow stations, having mean streamflow values less than 2.832 m 3 /s; (2) high-flow stations, having mean streamflow values more than 28.32 m 3 /s; and (3) medium-flow stations, having mean streamflow values between 2.832 and 28.32 m 3 /s. Detailed analyses and results are presented only for three stations, selected to represent the low-flow, medium-flow, and high-flow categories, respectively. The results indicate that the local approximation prediction approach yields, in general, reasonably good predictions of streamflow dynamics irrespective of the flow regime, but the predictions for the low-flow stations are found to be relatively better than that obtained for the medium-flow and high-flow stations. These results seem to suggest the possible presence of chaotic behavior in the monthly streamflow dynamics in the western United States. Studies to verify and support the present results are underway.
Implementation strategies for the census data base

The decisions which must be made during the implementation of a very large data base may be classified into three major categories: decisions related to data base organization, those concerning the selection and use of data storage devices, and those related to data compression. The logical organization of the data base must be determined to suit data base users and a corresponding physical organization must be selected to implement that logical organization in an efficient manner. The type and number (size) of storage devices to be used must be determined. The nature of these devices and whether the storage bank will be homogeneous or consist of a mix of device types must also be determined, Finally, the feasibility of data compression must be investigated. If desirable, an efficient method must be selected and the extent of its application determined.
Private equity securities: A compliance update for broker‐dealers and investment advisers

In the late 1990s, the market for private equity securities (hereinafter “private equity market”) was booming. From quarter to quarter, the number of venture capital deals and the amount invested rose dramatically. Certainly, much of this attention and excitement resulted from the extraordinary market gains experienced by some investors in private equity securities (hereinafter “private equities”). For example, in a book published in 2000, Randall E. Stross described a private equity investment that grew in value by 100,000 percent in less than two years. Today, the extraordinary gains of the late 1990s have subsided. Indeed, some commentators now describe market conditions as a “brutal hit.” The number of deals and the dollars invested are down, and as one commentator put it, there has been an “exodus of momentum investors.” Nonetheless, private equities remain an important alternative investment. Private equities also remain an important compliance area for broker‐dealers and investment advisers. This article reviews some of the compliance issues that could arise in the current environment. Specifically, it focuses on the types of issues that are likely to arise during an examination by the staff of the Securities and Exchange Commission (“SEC” or “Commission”). The article begins with a quick summary of the circumstances under which SEC examiners review broker‐dealers’ and investment advisers’ activities in the private equity market. Next it reviews recent SEC enforcement actions involving private equities and some of the compliance lessons that can be drawn from the cases. Finally, it discusses an examination initiative relating to private equities that the SEC currently has underway. It concludes that private equities remain an important compliance area and an important focus of the SEC’s examination program.
QoS-Aware Optimization of Composite-Service Fulfillment Policy

In a service-oriented IT infrastructure, functional capabilities of a computing component are externalized via one or more service interfaces. Driven by the demand for business agility and return-on-investment optimization, various dynamic service discovery and composition technologies have been proposed and developed with a common goal of enabling business-aligned fulfillment of customer requests. However, from the viewpoint of capacity planning and IT optimization, much work is still needed in helping an enterprise decide the "optimal" IT resources necessary for deploying the atomic services in support of those composite ones. The service deployment decision must be integrated with the request fulfillment policy so that the differentiated quality-of-service (QoS) requirements of service requests can be met, for instance, with minimum hardware/software cost. In this paper, we propose an approach for QoS-aware optimization of composite-service fulfillment policy. Without loss of generality, we assume that the optimization goal is to minimize the number of machines subject to response time and throughput requirements. After presenting our approach to the optimization problem using the assumption, we show that an NP-hard throughput optimization problem must be attacked. We then illustrate how we attack the problem via an efficient heuristic algorithm. The algorithm decomposes the end-to-end response time requirement for each type of composite service into atomic-service level response time assurance, and co-locate atomic services with similar response time assurance on machines with similar utilization characteristics. The algorithm exemplifies an integrated approach to optimizing service deployment and service composition. We demonstrate that the algorithm achieves a substantially higher throughput than a common baseline algorithm.
Neurobiology of schizophrenia spectrum disorders.

The schizophrenia spectrum disorders are a group of psychiatric diagnoses that share several clinical features, typically involving reality distortion. Each is considered a disorder, diagnosed with a distinct set of diagnostic criteria. Spectrum conveys the idea that they are somehow similar to each other. Such similarity could be defined on purely clinical grounds or at the level of disease mechanism and aetiology. It is this tension of distinctiveness and similarity that makes the scientific study of the schizophrenia spectrum disorders challenging. The concept of the schizophrenia spectrum can be traced back to Bleuler and his book Dementia Praecox or the Group of Schizophrenias. 1 The schizophrenias are characterised by significant heterogeneity of signs and symptoms, disease course and outcome. This gives rise to various clinical subtypes and to variants defined by a shorter duration of illness. Most importantly, the outcome of the schizophrenias ranges from long-term disability to
Poly(arylene sulfides) with pendant cyano groups as high-temperature laminating resins

Poly(phenylene sulfides) were synthesized from m-benzenedithiol and aromatic dibromides in a basic medium of potassium carbonate in dimethylformamide or dimethylacetamide. The products obtained were slightly off-white with relatively low melting ranges and had inherent viscosities in the 0.2–0.4 dl/g range in hexamethylphosphoric triamide. Similar poly(phenylene sulfides) containing pendant cyano groups along the polymer chains were obtained by the use of 5 mole-% of either 2,4-dichlorobenzonitrile or 3,5-dichlorobenzonitrile. The products were similar to the pure polyphenylene sulfides, except that they showed lower melting ranges and gave insoluble products when heated alone or in the presence of zinc chloride.
Signs and Symptoms of Heart Failure: Are You Asking the Right Questions?

BACKGROUND Patients may not verbalize common and atypical signs and symptoms of heart failure and may not understand their association with worsening disease and treatments. OBJECTIVES To examine prevalence of signs and symptoms relative to demographics, care setting, and functional class. METHODS A convenience sample of 276 patients (164 ambulatory, 112 hospitalized) with systolic heart failure completed a 1-page checklist of signs and symptoms experienced in the preceding 7 days (ambulatory) or in the 7 days before hospitalization. Demographic and medical history data were collected. RESULTS Mean age was 61.6 (SD, 14.8) years, 65% were male, 58% were white, and 45% had ischemic cardiomyopathy. Hospitalized patients reported more sudden weight gain, weight loss, severe cough, low/orthostatic blood pressure, profound fatigue, decreased exercise, restlessness/confusion, irregular pulse, and palpitations (all P < .05). Patients in functional class IV reported more atypical signs and symptoms of heart failure (severe cough, nausea/vomiting, diarrhea or loss of appetite, and restlessness, confusion, or fainting, all P <or= .001). Sudden weight gain increased from 5% in functional class I to 37.5% in functional class IV (P < .001). Dyspnea occurred in all functional classes (98%-100%) and both settings (92%-100%). Profound fatigue was associated with worsening functional class (P < .001) and hospital setting (P = .001); paroxysmal nocturnal dyspnea was associated with functional class IV (P = .02) and hospital setting (P < .001). CONCLUSION Profound fatigue is more reliable than dyspnea as an indicator of functional class. Nurses must recognize atypical signs and symptoms of worsening functional class to determine clinical status and facilitate patient care decisions.
Update on Brain Tumors: New Developments in Neuro-oncologic Diagnosis and Treatment, and Impact on Rehabilitation Strategies

Brain tumors can be a source of functional impairment to patients due to neurologic sequelae associated with the tumor itself as well as treatment side effects. As a result, many of these patients may require rehabilitation services. Surgery, chemotherapy, and radiation therapy have been longstanding, primary treatment modalities in the management of brain tumors, though these treatments continue to evolve given new developments in research and technology. A better understanding of the diagnostic workup and current treatment standards helps the physiatrist and rehabilitation team identify rehabilitation services needed, recognize potential side-effects from anticipated or concurrent treatments, and coordinate care with referral sources. The purpose of this article is to review these new advances in diagnosis and treatment of patients with brain tumors, as well as discuss the rehabilitation implications for this population, including factors such as rehabilitation approach, timing of concomitant treatment, cost management, and coordination of care.
Abstract 556: ACE2-Independent Effect of XNT in Ang II-Induced Hypertension

Previous studies using XNT have suggested that the molecule has a unique role as a hypotensive and antifibrotic agent within the RAS acting primarily as an activator of the ACE2. In this study, we assessed the hypothesis that XNT attenuates hypertension by an ACE2-independent mechanism. Studies were performed in C57BL6 WT and ACE2KO mice. BP was monitored continuously for a period of 25 min following a bolus of Ang II infusion after either XNT or recombinant (r)ACE2 was administered. Ang peptides were examined in plasma ex-vivo using MAS spectrometry analysis (RAS-fingerprint). ACE2 activity in serum was measured after XNT and/or Ang II infusion, in order to investigate a potential effect of XNT on serum ACE2. With regard to blood pressure, both XNT (n=11) and rACE2 (n=11) were able to markedly attenuate Ang II -induced hypertension in WT mice. However, a similar decline in BP caused by XNT was also seen in ACE2KO mice (n=14), indicating that the BP-lowering effect of XNT was ACE2-independent. This was additionally evidenced by serum ACE2 activity measurements in WT mice performed 5 minutes after Ang II infusion, showing no significant variation between XNT (0.351±0.06 RFU/ul/hr) and control group (0.393±0.04 RFU/ul/hr). Moreover, results from MAS spectrometry analysis showed that the presence of XNT did not alter plasma Ang II, Ang (1-7) or Ang (1-5) levels, whereas rACE2, without XNT addition, significantly increased Ang (1-7) and Ang(1-5) levels as a result of enhanced Ang II degradation. XNT has a potent BP-lowering effect in AngII-dependent hypertension but this action is ACE2-independent and unrelated to Ang II or Ang (1-7).
Current and Voltage Limiting Processes in Thin Film Hematite Electrodes

Atomic layer deposition was used to grow conformal thin films of hematite on transparent conductive oxide substrates and used as electrodes in regenerative photoelectrochemical cells (PECs). Systematic variations of the contacting electrolyte and redox shuttles were performed to determine the rate limiting processes of hematite PECs. Steady state current density vs applied potential measurements were employed to show that when the fast, one electron redox shuttles are used, hole collection is not the rate limiting step; however, hole collection is the rate limiting step when hematite is employed for water oxidation. Electron transfer was found to be the dominant recombination mechanism which limits the open circuit photovoltage. We further demonstrate that with variations of the pH and redox potentials of the contacting electrolyte, increases in both the photocurrent density and photovoltage can be achieved, which is attributed to increasing the built-in voltage.
Phase Development in Pt/ Si-Ge Alloy Layers

The phase development sequences for Pt layers on Si, Ge, and Si-Ge at 327°C were studied by X-ray diffraction, energy dispersive spectroscopy, and transmission electron microscopy. The reactions on pure Si and pure Ge followed the sequences reported previously. The reactions on the alloy layers differed slightly from the simple binary reactions. A ternary Pt(Si,Ge) reacted layer was formed on the alloy samples as the final phase on the Si-Ge alloy layer. This is discussed in terms of enthalpies of formation and the relative diffusion rates of Pt, Si, and Ge.
Inhibition of growth of microorganisms by benzimidazoles.

SummaryBenzimidazole and 2-ethyl-5-methyl benzimidazole inhibited the growth of 2 B12-requiring algae, Euglena gracilis, strain Z, and Ochromonas malhamensis, and of 4 B12-synthesizing bacteria, Rhizobium meliloti, R. trifolii, R. leguminosarum, and R. japonicum. Benzimidazole inhibition was complete at 5 × 10-3M concentration. The 2-ethyl-5-methyl compound inhibited the algae at 5 × 10-3M concentration; rhizobia were more sensitive. Although benzimidazole inhibition of E. gracilis was not competitive, there was, at a 108:1 ratio of inhibitor to vitamin, a relation to amount of growth which could be expressed graphically as a straight line.
Automatic Identification of Nutritious Contexts for Learning Vocabulary Words.

Vocabulary knowledge is crucial to literacy development and academic success. Previous research has shown learning the meaning of a word requires encountering it in diverse informative contexts. In this work, we try to identify “nutritious” contexts for a word – contexts that help students build a rich mental representation of the word’s meaning. Using crowdsourced ratings of vocabulary contexts retrieved from the web, AVER learns models to score unseen contexts for unseen words. We specify the features used in the models, measure their individual informativeness, evaluate AVER’s cross-validated accuracy in scoring contexts for unseen words, and compare its agreement with the human ratings against the humans’ agreement with each other. The automated scores are not good enough to replace human ratings, but should reduce human effort by identifying contexts likely to be worth rating by hand, subject to a tradeoff between the number of contexts inspected by hand, and how many of them a human judge will consider nutritious.
Estimates of Residential Floor Vibration Induced by Sonic Booms

Future civil supersonic aircraft are expected to produce sonic boom noise within overflown communities that is substantially quieter than previous supersonic aircraft, which may allow regulators to replace the current prohibition on civil supersonic flight with a noise-based certification standard. In support of standards development, NASA has used an indoor simulation laboratory to investigate people’s reaction to combinations of transmitted sonic boom signatures and related floor vibration levels. Given the limited extent of experimental data, numerical models were used to estimate the expected range in floor vibration level that people may experience within a large assortment of houses for various low-amplitude sonic booms from different aircraft. This presentation will discuss the predictive models, compare predicted floor vibration to measurements from field experiments in similar houses, and document the range of predicted floor vibration that informed a recent psycho-acoustic laboratory study. The ...
Hark! Who goes there? Concurrent association of communication channels for multiple mobile robots

Robots working in teams can benefit from recruiting the help of nearby robots. But, while robots are typically aware of their neighbors' relative positions through information sensed locally (e.g., range and bearing), a robot does not necessarily know the network identifiers (IDs) of its neighbors directly from observation. In this work robots use a simple visual gesture, paired with wireless messages, to rapidly and effectively establish a one-to-one association between the relative positions (local, visual IDs) of neighboring robots and their network addresses (global, wireless IDs). We formalize the channel association problem and explore its structure from an information filter perspective. Under an idealized communication model, we investigate two simple probabilistic algorithms and contribute analyses of performance in terms of parameters, such as robot density, communication range, and movement speed. Branching Processes are used to predict the macroscopic performance of the algorithms, producing models that characterize the channel association behavior, given parameters that describe the multi-robot system. The approach also allows parameters to be fine-tuned when designing a system so that its performance meets some specified threshold.
Archives and Social Justice Research

This chapter describes archives as a valuable resource for social justice research. It begins by describing archives as they relate to social injustice and social justice. It then discusses five research papers on social injustice as examined using various kinds of archives. The chapter concludes with a discussion of methodological, historical, ethical, and interpretative issues in archive-based social justice research.
Abstract 4858: LADR™: A novel linker activated drug release technology for drug delivery

Drug delivery systems in oncology for treating cancer are based on different drug release mechanisms at the tumor site including primarily hydrolytic, reductive, enzymatic and/or acid-sensitive cleavage. Drug carrier conjugates that incorporate an acid-sensitive breaking-point exploit the extra- and intracellular acidic environment of the tumor. Important requirements for acid-sensitive bonds are high stability of the carrier-bound drug in the blood circulation and an effective or sustained release of the active drug in the acidic tumor interstitium and acidic endosomes/lysosomes of tumor cells. In addition, sufficient stability of the acid-sensitive bond is a prerequisite for galenic formulation and reconstitution. As a continuation of our development of aldoxorubicin, an acid-sensitive albumin-binding drug of doxorubicin, which is being clinically assessed in advanced clinical trials (www.cytrx.com), we have set out to design a novel acid-sensitive drug release platform that is applicable to carriers such as serum proteins and antibodies. The key components of this specific drug delivery system are linkers containing a thiol-binding maleimide group and a substituted aromatic hydrazine to form an acid-cleavable hydrazone bond with suitable carbonyl-containing drugs. For establishing and fine-tuning the pH-dependent release profiles, the aromatic moiety of the linker was substituted with a spectrum of electron-withdrawing groups, and reacted with the anthracyclines doxorubicin and nemorubicin. The resulting hydrazone derivatives were conjugated to the cysteine-34 position of albumin as a model protein. Subsequently, the drug release was determined at physiological and acidic conditions as well as in human plasma. It was discovered that by variation of the electron-withdrawing groups, the pH dependent release of the drug could be substantially varied between 1-50 h in the pH range of 4-5. The technology using these linkers was coined LADR™ (Linker Activated Drug Release) and has the additional advantage that the galenic formulation and reconstitution of LADR™-based drugs is facilitated. We have applied the LADR™ technology to several anticancer drugs such as vinblastine and gemcitabine. In summary, LADR™ is an innovative and versatile linker technology creating a platform for developing acid-sensitive drug carrier conjugates that allow the carrier-bound drug to be released in a controlled manner resulting in sustained exposure to cancer cells. Citation Format: Khalid Abu Ajaj, Stephan David Koester, Friederike Inga Nollmann, Simon Waltzer, Olga Fuchs, Andre Warnecke, Felix Kratz. LADR™: A novel linker activated drug release technology for drug delivery. [abstract]. In: Proceedings of the 107th Annual Meeting of the American Association for Cancer Research; 2016 Apr 16-20; New Orleans, LA. Philadelphia (PA): AACR; Cancer Res 2016;76(14 Suppl):Abstract nr 4858.
Ultra high refractive index polymers for IR optics

For the first time elemental sulfur, a waste material, an organic monomer, and a chalcogenide derivate have undergone inverse vulcanization to yield a novel, low cost, high refractive index material for use in optical applications.