cssi/SciSciGPT-SciSciNet huggingface dataset:
The Activating Oxydianion Binding Domain for Enzyme-Catalyzed Proton Transfer, Hydride Transfer, and Decarboxylation: Specificity and Enzyme Architecture

The kinetic parameters for activation of yeast triosephosphate isomerase (ScTIM), yeast orotidine monophosphate decarboxylase (ScOMPDC), and human liver glycerol 3-phosphate dehydrogenase (hlGPDH) for catalysis of reactions of their respective phosphodianion truncated substrates are reported for the following oxydianions: HPO32–, FPO32–, S2O32–, SO42– and HOPO32–. Oxydianions bind weakly to these unliganded enzymes and tightly to the transition state complex (E·S‡), with intrinsic oxydianion Gibbs binding free energies that range from −8.4 kcal/mol for activation of hlGPDH-catalyzed reduction of glycolaldehyde by FPO32– to −3.0 kcal/mol for activation of ScOMPDC-catalyzed decarboxylation of 1-β-d-erythrofuranosyl)orotic acid by HOPO32–. Small differences in the specificity of the different oxydianion binding domains are observed. We propose that the large −8.4 kcal/mol and small −3.8 kcal/mol intrinsic oxydianion binding energy for activation of hlGPDH by FPO32– and S2O32–, respectively, compared with act...
Stratifying Risk for Renal Insufficiency Among Lithium-Treated Patients: An Electronic Health Record Study

Although lithium preparations remain first-line treatment for bipolar disorder, risk for development of renal insufficiency may discourage their use. Estimating such risk could allow more informed decisions and facilitate development of prevention strategies. We utilized electronic health records from a large New England health-care system between 2006 and 2013 to identify patients aged 18 years or older with a lithium prescription. Renal insufficiency was identified using the presence of renal failure by ICD9 code or laboratory-confirmed glomerular filtration rate below 60 ml/min. Logistic regression was used to build a predictive model in a random two-thirds of the cohort, which was tested in the remaining one-third. Risks associated with aspects of pharmacotherapy were also examined in the full cohort. We identified 1445 adult lithium-treated patients with renal insufficiency, matched by risk set sampling 1 : 3 with 4306 lithium-exposed patients without renal insufficiency. In regression models, features associated with risk included older age, female sex, history of smoking, history of hypertension, overall burden of medical comorbidity, and diagnosis of schizophrenia or schizoaffective disorder (p<0.01 for all contrasts). The model yielded an area under the ROC curve exceeding 0.81 in an independent testing set, with 74% of renal insufficiency cases among the top two risk quintiles. Use of lithium more than once daily, lithium levels greater than 0.6 mEq/l, and use of first-generation antipsychotics were independently associated with risk. These results suggest the possibility of stratifying risk for renal failure among lithium-treated patients. Once-daily lithium dosing and maintaining lower lithium levels where possible may represent strategies for reducing risk.
Application of Remote Sensing Technology in Geological Disaster Monitoring

The remote sensing technology as a basic technique is widely used in the geological surveyw ork for it can be used to monitor the global atmosphere,ocean and land system in our country and the surrounding areas as w ell as the globe. This paper starts w ith the current situation of this technology,studying its role and applications in the monitoring of geographical disasters,and accounts for its great convenience for the geological disaster monitoring in china.
Comparison of phase modulation schemes for coherently combined fiber amplifiers

Optical linewidth broadening through both white noise (WNS) and pseudo-random binary sequence (PBRS) phase modulation are effective techniques for suppressing stimulated Brillouin scattering (SBS) in high- power fiber amplifiers. However, detailed studies comparing both coherent beam combining and SBS suppression of these phase modulation schemes have not been reported. In this study, a passive fiber cutback experiment is performed comparing the SBS threshold enhancement factor of a PRBS and WNS broadened seed as a function of linewidth and fiber length. Particularly, assuming an optimal PRBS pattern is chosen, pseudo-random modulation provides superior SBS suppression than WNS for a given fiber length and signal linewidth. Furthermore, two WNS and PRBS modulated 150 W fiber lasers are coherently combined to measure and compare the combining efficiency, beam quality, and coherence as a function of optical path length difference. Notably, the discrete spectral density of PRBS modulation provides a re-coherence effect where the lasers periodically come back into phase. Overall, this may reduce path length matching complexity in coherently combined fiber laser systems.
Herbert Daniel e a luta contra o estigma da AIDS

This paper aims at discussing and analyzing both fictional and essayistic works by Herbert Daniel from his return to Brazil after the exile in the beginning of the 1980s until his death due to complications related to AIDS in 1992. Through the analysis of his books, this paper will show that Daniel raises important questions in order to disseminate the prejudice against PLWH – People Living with HIV/AIDS. Daniel also discusses the moral panics the epidemics brought into light and the civil death of PLWH. Daniel’s texts propose a broad and unrestricted dialogue in regards to the prejudice due to the AIDS epidemics creating a detailed description that contributes to a better understanding of the history of AIDS in Brazil.
Evaluating the Free Energies of Solvation and Electronic Structures of Lithium-Ion Battery Electrolytes

Adaptive biasing force molecular dynamics simulations and density functional theory calculations were performed to understand the interaction of Li+ with pure carbonates and ethylene carbonate (EC)-based binary mixtures. The most favorable Li carbonate cluster configurations obtained from molecular dynamics simulations were subjected to detailed structural and thermochemistry calculations on the basis of the M06-2X/6-311++G(d,p) level of theory. We report the ranking of these electrolytes on the basis of the free energies of Li-ion solvation in carbonates and EC-based mixtures. A strong local tetrahedral order involving four carbonates around the Li+ was seen in the first solvation shell. Thermochemistry calculations revealed that the enthalpy of solvation and the Gibbs free energy of solvation of the Li+ ion with carbonates are negative and suggested the ion–carbonate complexation process to be exothermic and spontaneous. Natural bond orbital analysis indicated that Li+ interacts with the lone pairs of electrons on the carbonyl oxygen atom in the primary solvation sphere. These interactions lead to an increase in the carbonyl (C=O) bond lengths, as evidenced by a redshift in the vibrational frequencies [ν(C=O)] and a decrease in the electron density values at the C=O bond critical points in the primary solvation sphere. Quantum theory of atoms in molecules, localized molecular orbital energy decomposition analysis (LMO-EDA), and noncovalent interaction plots revealed the electrostatic nature of the Li+ ion interactions with the carbonyl oxygen atoms in these complexes. On the basis of LMO-EDA, the strongest attractive interaction in these complexes was found to be the electrostatic interaction followed by polarization, dispersion, and exchange interactions. Overall, our calculations predicted EC and a binary mixture of EC/dimethyl carbonate to be appropriate electrolytes for Li-ion batteries, which complies with experiments and other theoretical results.
Optimal primary management of bulky stage IIIC ovarian, fallopian tube and peritoneal carcinoma: Are the only options complete gross resection at primary debulking surgery or neoadjuvant chemotherapy?

Objective To explore the impact of primary debulking surgery (PDS) to minimal but gross residual disease (RD) in women with bulky stage IIIC ovarian, fallopian tube, or primary peritoneal cancer.
Relevance of Cretaceous volcanic activity to CRER

Intense, global volcanic activity with peaks in the Aptian-Albian and Campanian-Maestrichtian may have had significant effects on sea level changes, paleobathymetry and circulation of the Pacific Ocean, chemistry of the atmosphere and hydrosphere and global climates, and the distribution and evolution of faunas and floras.
Soil Science in Historical and Philosophical Perspective

Archaeologists, paleontologists, geomorphologists, and many other kinds of scientists recognize the importance of studying the past, partly to appreciate the present. Social and environmental conditions in 18th- through 20th-century Europe led to a science focused on identification and classification as the primary goal of modern soil science. Additionally, the focus of soil science was more on plants and food production than on soils and how they develop evolve and behave. Contemporary societal concerns, however, require that soil science be more than an inventory of things to be identified and classified. Soils are dynamic, dissipative, and self-organizing systems whose study will require changes in how soils are perceived.
Action-at-a-Distance

Maxwell is best known for his work on the kinetic theory of gasses and his electromagnetic theory of light. Regarding the former topic, Maxwell argued that the macroscopic properties of a gas, like pressure and temperature, may be understood in terms of the velocity distribution of the particles comprising the gas. Regarding the latter topic, Maxwell drew together disparate lines of research—from electricity, magnetism and the wave theory of light—to argue that “light is an electromagnetic disturbance in the form of waves propagated through the electromagnetic field according to electromagnetic laws.” Maxwell’s electromagnetic theory of light, presented to the Royal Society in 1864 as “A Dynamical Theory of the Electromagnetic Field,” was inspired by Faraday’s conception of electric and magnetic forces as manifestations of strains arising within a subtle medium pervading space. Underlying Maxwell’s theory is the idea that electrically charged bodies do not act upon one another immediately, that is, without any intervening medium. Rather, forces between bodies are mediated by the luminferous aether. The conflict between natural philosophers who advocated “action-at-a-distance” and those who advocated “mediated action” is the topic of the reading selection included in the present chapter. It was first published in the Proceedings of the Royal Institution of Great Britain in 1873. Whose arguments do you find most convincing?
TACAMO antenna analysis for the new high power transmit set (HPTS)

The computer modeling of a dual-trailing wire antenna (DTWA) on a TACAMO aircraft is described. This model is used to study the impact of the shape of the DTWA on the impedance of the antenna and the impact of this impedance variation on the high-power transmit set (HPTS) antenna couple capabilities (e.g., the antenna impedance matching range and the power amplifier loading). Parameters that affect the shape of the DTWA, such as phase of the flight, weight, altitude, velocity, and orbit radius, are utilized by the model. Results of impedance matching range and power amplifier loading comparisons are presented. >
Estimating Population Levels of Clostridium perfringens in Foods Based on Alpha-toxin

A method for estimating population levels of Clostridium perfringens in foods based on the titer of α-toxin in food extracts was evaluated. Twenty-two samples of food associated with 15 food poisoning outbreaks and 12 ready-to-serve foods inoculated with approximately 100 C. perfringens spores/g and incubated to simulate improper holding conditions were examined. Alpha-toxin was present in extracts from most of the foods which could be correlated with the viable population as determined by plate counts in sulfite-polymyxin-sulfadiazine (SPS) agar. The amount of α-toxin present could be correlated with previous growth of C. perfringens in food regardless of whether the organisms were viable when the examination was made. This is important because storage and shipment of the food specimens for brief periods at low temperature results in a decrease of 2 to 4 log cycles in the viable plate count in SPS agar, but does not affect the accuracy of estimates of the population level based on the presence of α-toxin.
Redefining Louisiana Public Schools' Model Behavior Method: Embracing the Positive Behavior Interventions & Supports Program Over Zero-Tolerance Policies

For the last forty years, finding the best method to get students to behave has been the biggest problem Louisiana public schools have had to face. Public schools have relied on using zero-tolerance-discipline practices as the primary method of student discipline. This method has led only to increases in students being suspended and expelled from their schools. It was not until recent years that various organizations created a new disciplinary program called the Positive Behavior Interventions & Supports (P.B.I.S.) program for replacing zero tolerance to ensure proper student behavior while simultaneously decreasing student suspension and expulsion rates. However, despite having an effective alternative form of discipline, school officials still resort to zero tolerance as their first option for student discipline. If the status quo does not undergo immediate change, many students will be deprived of one of the most basic of necessities for success, a public education. The author’s perspective concentrates on whether the Louisiana Legislature needs to adopt full implementation of the P.B.I.S. program over continued use of zero tolerance. This research focuses on the historical development of zero tolerance, modern day consequences arising from use of zero tolerance, financial burden on schools, and the implicit discriminatory effect in the disproportionate number of minority students punished in comparison to the reduced rates of suspensions and expulsions coupled with increased test scores with P.B.I.S. The author concludes that the benefits of full P.B.I.S. implementation far outweigh any possible benefits of the status quo zero-tolerance-discipline system.
Prevalence of Serious Psychological Distress Among Slaughterhouse Workers at a United States Beef Packing Plant.

Background Workers in the animal slaughter and processing industry in the United States experience high rates of occupational injury as well as stressful work conditions, yet mental health in this workforce remains largely unstudied. Objective To assess prevalence of serious psychological distress (SPD) in a sample of industrial US slaughterhouse workers. Participants Workers at an industrial beef packing plant in Nebraska, United States (n = 137). Methods We interviewed workers using the Kessler-6, a well-validated measure of non-specific anxiety disorders, to assess SPD. We compared SPD prevalence with national estimates from 2009 CDC's Behavioral Risk Factor Surveillance Study. Results Prevalence of SPD among workers was 4.4%, compared to United States population-wide prevalence of 3.6%. Prevalence of mild and moderate psychological distress among these workers (14.6%) was also higher than national estimates. Recent occupational injury, work area and job activities were not associated with elevated prevalence of SPD. Non-Hispanic white workers experienced elevated prevalence of SPD compared to Hispanic or Latino workers (prevalence odds ratio: 6.4; CI: 1.3, 30.5; p = 0.012). Conclusion Workers at a US industrial slaughterhouse experienced higher prevalence of SPD compared to United States population-wide estimates, but occupational risk factors for this outcome were not identified.
The Important Role of Non-Organization Law

The proliferation of partnership-based business organizations raises questions concerning the law's role in shaping firms. Although many scholars have focused on business organization statutes, at least in the U.S. this law may be trivial in the sense that it simply reflects underlying business concerns. That is because firms easily can choose the applicable governance law, and therefore can avoid bad or unsuitable laws. I show that non-organization law may have a greater effect than organization law on the structure of firms because firms cannot easily avoid this law. Federal and state non-organization laws might significantly reduce the usefulness of business organization standard forms where transaction cost and legal considerations conflict. The efficiency of non-organization laws therefore depends on whether their interference with organization law can be reduced without unduly compromising their policy goals.
Elucidating Mechanisms of Sensitivity and Resistance to EGFR Tyrosine Kinase Inhibitors in Lung Cancer

PL08-02 Elucidating Mechanisms of Sensitivity and Resistance to EGFR Tyrosine Kinase Inhibitors in Lung Cancer William Pao, MD, PhD Human Oncology and Pathogenesis Program, Memorial Sloan-Kettering Cancer Center, 1275 York Avenue, Box 125, New York, NY 10065, USA Abstract The epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors (TKIs), gefitinib (Iressa) and erlotinib (Tarceva), induce dramatic responses in certain patients with non-small cell lung cancer (NSCLC). As such, the drugs provide an unexpected tool to dissect clinically relevant molecular subsets of NSCLC. For example, using mutational profiling of tumor DNA from patients with known clinical outcomes to these drugs, we and others have demonstrated that somatic mutations in the tyrosine kinase domain of EGFR are associated with increased sensitivity to gefitinib and erlotinib, while mutations in KRAS, which encodes a GTPase downstream of EGFR, are associated with primary resistance. EGFR mutations are more commonly found in tumors from patients with a minimal cigarette smoking history, while KRAS mutations are more frequent in those with significant direct tobacco exposure. Thus, these two mutations define distinct populations of NSCLC patients with different natural histories and responses to targeted therapy. Acquired resistance to gefitinib and erlotinib is also a major clinical problem. Nearly all patients who initially respond to treatment eventually develop progressive disease. We and others have found that second site mutations in the EGFR kinase domain are found in about half of patients with acquired resistance to these drugs. The most common (>90%) second-site mutation involves a CaT change at nucleotide 2369 in exon 20, which results in substitution of methionine for threonine at position 790 (T790M). This mutation can rarely be found before treatment and is linked to genetic susceptibility to lung cancer. When compared to “acquired resistance” mutations to kinase inhibitors in others diseases, our data suggest that the type and nature of kinase inhibitor resistance mutations may be influenced by both anatomical site and mode of binding to the kinase target. We are now using a variety of molecular and biological approaches to define further mechanisms of sensitivity/resistance to gefitinib and erlotinib and to identify additional molecular subsets of lung cancer that have relevance in the clinic. For example, to determine other potential mechanisms of resistance, we compared genomic profiles of EGFR mutant tumors from untreated patients with those from patients with acquired resistance and found that MET amplification contributes to progressive disease. Others have reported similar findings using a different approach. These data suggest that MET inhibitors could play an important role in the treatment of some patients who develop acquired resistance to first-line EGFR inhibitors.
Partners, Institutions, Race, and Faith: An Examination of the Determinants of and Detractors to Success for Faith- Versus Community-Based Organizations

This article examined the factors that served to enhance and detract from success comparing faith-based and community-based organizations providing domestic violence services through one of the Bush Administration’s faith-based initiatives. Content and pattern matching analysis of data from eight geographically comparative paired organizations identified four emergent themes: 1) community partners are a key to success, 2) institutional and systemic factors, 3) race and ethnicity issues, and 4) faith in God. Findings are compared to those of Brown (2012a), which examined organizational strengths and weaknesses through a quantitative examination of all of the organizations funded by the same program.
cytoNet: Network Analysis of Cell Communities

We introduce cytoNet, a method to characterize multicellular topology from microscopy images. Accessible over the web, cytoNet quantifies the spatial relationships in cell communities using principles of graph theory, and evaluates the effect of cell-cell interactions on individual cell phenotypes. We demonstrate cytoNets capabilities in two applications relevant to regenerative medicine: quantifying the morphological response of endothelial cells to neurotrophic factors present in the brain after injury, and characterizing cell cycle dynamics of differentiating neural progenitor cells. The framework introduced here can be used to study complex cell communities in a quantitative manner, leading to a deeper understanding of environmental effects on cellular behavior.
Feature-based data assimilation in geophysics

Abstract. Many applications in science require that computational models and data be combined. In a Bayesian framework, this is usually done by defining likelihoods based on the mismatch of model outputs and data. However, matching model outputs and data in this way can be unnecessary or impossible. For example, using large amounts of steady state data is unnecessary because these data are redundant. It is numerically difficult to assimilate data in chaotic systems. It is often impossible to assimilate data of a complex system into a low-dimensional model. As a specific example, consider a low-dimensional stochastic model for the dipole of the Earth's magnetic field, while other field components are ignored in the model. The above issues can be addressed by selecting features of the data, and defining likelihoods based on the features, rather than by the usual mismatch of model output and data. Our goal is to contribute to a fundamental understanding of such a feature-based approach that allows us to assimilate selected aspects of data into models. We also explain how the feature-based approach can be interpreted as a method for reducing an effective dimension and derive new noise models, based on perturbed observations, that lead to computationally efficient solutions. Numerical implementations of our ideas are illustrated in four examples.
Abstract 3632: Secondary Vascular Events and Sleep Adequacy: the SWIFT Study

Objective: To describe the relationship between sleep problems, measured by the Medical Outcomes Sleep scale (MOS) at baseline, in ischemic stroke and TIA (IS/TIA) patients and the likelihood of ha...
Latin America: A Pragmatic Approach and a Modest Contribution

Across the past two decades, the EU has attempted to transmit its conception of sound environmental practices throughout the developing world. In the context of Latin America, however, the contribution of the EU has been limited. This chapter argues that this is due to the comparatively minimal economic and political sway of the EU in the region, the region’s pre-existing commitment to implementing international environmental norms, internal demands for better environmental standards, and strong bilateral environmental cooperation with the United States. Though the EU policies are broadly effective in their stated objectives, they are comparatively underwhelming in funding, constituting but one of several nuances which contour the formation of national environmental policies throughout the region.
Aggression, Violence, and Substance Abuse in Adolescents

Adolescents who use or abuse alcohol and other drugs often manifest aggressive and violent behavior. The relationship between adolescent substance use and aggression is complex, influencing the course of substance-use disorders and the risk for these disorders among adolescents. The presence of aggressive behavior in adolescents with substance-use disorders points to the need for comprehensive treatments targeting aggression, substance use, and other problems affecting the psychosocial functioning of adolescents.
Making Effective Referrals to Alcoholics Anonymous and Other 12-step Programs

This chapter will describe 12-step programs, explain what occurs at meetings, and address common mis-conceptions. Our central goal is to present practical guidelines to help primary care physicians make referrals to 12-step programs. Effective referrals include introducing patients to these programs, motivating them to attend meetings, having follow-up conversations with them about their experiences at meetings, and encouraging them to consider on-going affiliation. The guidelines presented here can help you talk with patients who are new to 12-step programs as well as patients who attended in the past but found the experience unhelpful. Since you may wonder whether 12-step programs actually work, we briefly describe the accumulating research evidence for their effectiveness. Perhaps most important, we discuss why your role as a primary care physician is so pivotal.
Linear System Applications

This chapter presents four applications involving the solution to linear systems. The first of these is Fourier series that introduce the concept of an infinite-dimensional vector space with a basis of orthonormal functions. In this case, the functions are sines and cosines. The Fourier series for a periodic square wave is computed and convergence of its partial sums to the square wave is demonstrated by a graph. The second example is the use of finite differences to approximate the solution of the heat equation in time and one space variable. A tridiagonal system of equations must be solved for every time step, the right-hand side of which is determined by the initial and boundary conditions. The Thomas algorithm developed in Section 9.4 is used to efficiently solve each system. A graph of the solution to a particular equation is shown. The third application is polynomial least squares. Fit the polynomial by minimizing the sum of the squares of the deviation of each data point from the corresponding polynomial value by taking partial derivatives and setting them equal to zero. This results in a square system. Since we will approach general linear least squares in Chapter 16 using the normal equations, the Vandermonde matrix is defined and used to create the normal equations for polynomial least-squares fitting. It is made clear that least squares can perform interpolation or extrapolation. The last application is the development of linear and natural cubic splines. In the case of cubic splines, a mathematical analysis reduces the problem to the solution of a tridiagonal system of equations, again done using the Thomas algorithm.
Practical Nutrition for the Primary Care Provider: A Pilot Test.

Dynamic nutrition education strategies may help prepare physicians to provide nutrition guidance to patients. We pilot tested a nutrition-focused iBook chapter with a group of medical students and residents (June 2017) through pre- and post-test Qualtrics surveys. All 29 respondents recognized the role of nutrition in medical care. Two-thirds reported some nutrition training in their medical education; nearly 90% reported this training was inadequate. Few (17%) reported reading scholarly nutrition articles; 84% reported they would recommend the iBook to their peers. An iBook is a resource that could be used to teach nutrition to medical trainees.
Interventions to increase uptake of the human papillomavirus vaccine in unvaccinated college students: A systematic literature review.

Abstract Objective The purpose of this systematic review is to summarize the best available evidence on interventions that could be implemented in the college environment to increase HPV vaccination uptake in college students who were not previously vaccinated. Methods Pubmed, CINAHL, PsycINFO, Cochrane, and EBSCO were searched in December 2017 to identify all literature meeting the following criteria: human subjects, English language, HPV, HPV vaccination, and college. PRISMA recommendations were followed. We focused only on manuscripts that reported vaccine uptake, excluding studies that only reported vaccine intentions. We identified 2989 articles; 101 relevant after screening; nine eligible for final qualitative review. Results Vaccine uptake rates ranged from 5% to 53%. Theory-based variables (e.g., perceived susceptibility and self-efficacy) were associated with vaccine uptake in most studies. A study exposing participants to a narrative video about HPV vaccination led by a combination of peers and medical experts produced the greatest difference in HPV vaccination initiation compared to a control group (21.8% vs 11.8%) of all the studies reviewed. Conclusions Few interventions resulted in substantial HPV vaccine uptake. A combination of peer and provider encouragement may be the most effective method to increase vaccine uptake in this population.
Blind background prediction using a bifurcated analysis scheme

A technique for background prediction using data, but maintaining a closed signal box is described. The result is extended to two background sources. Conditions on the applicability under correlated cuts are described. This technique is applied to both a Toy model and an analysis of data from a rare neutral kaon decay experiment.
The impact of a fellow-driven debriefing program after pediatric cardiac arrests

In the United States, post-cardiac arrest debriefing has increased, but historically it has occurred rarely in our pediatric intensive care unit (PICU). A fellow-led debriefing tool was developed as a tool for fellow development, as well as to enhance communication amongst a multidisciplinary team. A curriculum and debriefing tool for fellow facilitators was developed and introduced in a 41-bed cardiac and medical PICU. Pre- and post-intervention surveys were sent to multidisciplinary PICU providers to assess effectiveness of debriefings using newly-trained leaders, as well as changes in team communication. Debriefing occurred after 84% (63/75) of cardiac arrests post-intervention. Providers in various team roles participated in pre-intervention (129 respondents/236 invitations) and post-intervention (96 respondents /232 invitations) surveys. Providers reported that frequently occurring debriefings increased from 9 to 58%, pre- and post-intervention respectively (p < .0001). Providers reported frequent identification and discussion of learning points increased from 32% pre- to 63% post-intervention. In the 12 months post-intervention, 62% of providers agreed that the overall quality of communication during arrests had improved, and 61% would be more likely to request a debriefing after cardiac arrest. The introduction of a fellow-led debriefing tool resulted in regularly performed debriefings after arrests. Despite post-intervention debriefings being led by newly-trained facilitators, the majority of PICU staff expressed satisfaction with the quality of debriefing and improvement in communication during arrests, suggesting that fellow facilitators can be effective debrief leaders.
Adult Use of and Transitions From Nicotine and Non-nicotine-Containing E-cigarettes: Data From the Population Assessment of Tobacco and Health (PATH) Study, 2013–2016

Introduction Studies largely focus on nicotine-containing e-cigarettes (NiCE) though non-nicotine-containing e-cigarettes (NoCE) exist; NoCE prevalence and patterns of use are largely unknown. This study examines self-reported prevalence and patterns of NiCE/NoCE use. Methods We analyzed adult (18+ years) data from the Population Assessment of Tobacco and Health (PATH) study from Wave 1 (2013-2014, n = 32,320), Wave 2 (2014-2015, n = 28,632), and Wave 3 (2015-2016, n = 28,148). We test associations between Wave 1 self-reported current NoCE/NiCE use status and demographic characteristics and assess the proportion of self-reported current NoCE/NiCE users at Wave 1 or Wave 2 who continue to use NoCE or NiCE, switch to NiCE or NoCE, discontinue e-cigarette use, switch to use other nicotine products (ONP), or add ONP use 1 year later (i.e., at Wave 2 or 3). Results Maintaining the same self-reported NiCE/NoCE and ONP use status 1 year later was the most common use pattern between waves. However, 15.65% of exclusive NoCE users in Wave 2 transitioned to NoCE plus nicotine product use in Wave 3. Also, some exclusive NoCE users transitioned to exclusive NiCE use (17.77% Waves 1-2; 11.55% Waves 2-3). Discussion Some exclusive NoCE users transitioned to NiCE or added nicotine product use, suggesting there may be other factors (e.g., familiarity with using an aerosolizing device) in addition to the presence of nicotine in influencing initiation or sustained use of nicotine products. Implications Studies largely focus on nicotine-containing e-cigarettes (NiCE) though non-nicotine-containing e-cigarettes (NoCE) exist; this study adds to the literature by describing demographic characteristics and tobacco use of adult self-reported NoCE users. In addition, the study examines transitions in self-reported NoCE/NiCE use, revealing that some exclusive NoCE users transition to other nicotine product use 1 year later.
Radiotherapy use in the treatment of gastrointestinal cancers in Medicare patients: An analysis of a CMS database.

800Background: CMS announced plans to pilot an alternative payment model (APM) utilizing a fixed payment per ICD-10 code for 17 malignancies. CMS released payment data used to calculate the base pa...
Distinct Regulation of σ1 Receptor Multimerization by Its Agonists and Antagonists in Transfected Cells and Rat Liver Membranes.

Extensive studies have shown that the σ1 receptor (σ1R) interacts with and modulates the activity of multiple proteins with important biological functions. Recent crystal structures of σ1R as a homotrimer differ from a dimer-tetramer model postulated earlier. It remains inconclusive whether ligand binding regulates σ1R oligomerization. Here, novel nondenaturing gel methods and mutational analysis were used to examine σ1R oligomerization. In transfected cells, σ1R exhibited as multimers, dimers, and monomers. Overall, σ1R agonists decreased, whereas σ1R antagonists increased σ1R multimers, suggesting that agonists and antagonists differentially affect the stability of σ1R multimers. Endogenous σ1R in rat liver membranes also showed similar regulation of oligomerization as in cells. Mutations at key residues lining the trimerization interface (Arg119, Asp195, Phe191, Trp136, and Gly91) abolished multimerization without disrupting dimerization. Intriguingly, truncation of the N terminus reduced σ1R to apparent monomer. These results demonstrate that multiple domains play crucial roles in coordinating high-order quaternary organization of σ1R. The E102Q σ1R mutant implicated in juvenile amyotrophic lateral sclerosis formed dimers only, suggesting that dysregulation of σ1R multimeric assembly may impair its function. Interestingly, oligomerization of σ1R was pH-dependent and correlated with changes in [3H](+)-pentazocine binding affinity and Bmax. Combined with mutational analysis, it is reasoned that σ1R multimers possess high-affinity and high-capacity [3H](+)-pentazocine binding, whereas monomers likely lack binding. These results suggest that σ1R may exist in interconvertible oligomeric states in a dynamic equilibrium. Further exploration of ligand-regulated σ1R multimerization may provide novel approaches to modulate the function of σ1R and its interacting proteins. SIGNIFICANCE STATEMENT The σ1 receptor (σ1R) modulates the activities of various partner proteins. Recently, crystal structures of σ1R were elucidated as homotrimers. This study used novel nondenaturing gel methods to examine σ1R oligomerization in transfected cells and rat liver membranes. Overall, agonist binding decreased, whereas antagonist binding increased σ1R multimers, which comprised trimers and larger units. σ1R multimers were shown to bind [3H](+)-pentazocine with high affinity and high capacity. Furthermore, mutational analysis revealed a crucial role of its N-terminal domain in σ1R multimerization.
No calculation necessary: Accessing magnitude through decimals and fractions.

Abstract Research on how humans understand the relative magnitude of symbolic fractions presents a unique case of the symbol-grounding problem with numbers. Specifically, how do people access a holistic sense of rational number magnitude from decimal fractions (e.g. 0.125) and common fractions (e.g. 1/8)? Researchers have previously suggested that people cannot directly access magnitude information from common fraction notation, but instead must use a form of calculation to access this meaning. Questions remain regarding the nature of calculation and whether a division-like conversion to decimals is a necessary process that permits access to fraction magnitudes. To test whether calculation is necessary to access fractions magnitudes, we carried out a series of six parallel experiments in which we examined how adults access the magnitude of rational numbers (decimals and common fractions) under varying task demands. We asked adult participants to indicate which of two fractions was larger in three different conditions: decimal-decimal, fraction-fraction, and mixed decimal-fraction pairs. Across experiments, we manipulated two aspects of the task demands. 1) Response windows were limited to 1, 2 or 5 s, and 2) participants either did or did not have to identify when the two stimuli were the same magnitude (catch trials). Participants were able to successfully complete the task even at a response window of 1 s and showed evidence of holistic magnitude processing. These results indicate that calculation strategies with fractions are not necessary for accessing a sense of a fractions meaning but are strategic routes to magnitude that participants may use when granted sufficient time. We suggest that rapid magnitude processing with fractions and decimals may occur by mapping symbolic components onto common amodal mental representations of rational numbers.
Perspectives on chemotherapy for the management of double-hit lymphoma.

Double-hit (DHL) and triple-hit lymphomas (THL) have long been among the most clinically aggressive molecular subtypes of diffuse large B-cell lymphomas. In the 2016 revised WHO classification, the...
New computational protein design methods for de novo small molecule binding sites

Protein binding to small molecules is fundamental to many biological processes, yet it remains challenging to predictively design this functionality de novo. Current state-of-the-art computational design methods typically rely on existing small molecule binding sites or protein scaffolds with existing shape complementarity for a target ligand. Here we introduce new methods that utilize pools of discrete contacts between protein side chains and defined small molecule ligand substructures (ligand fragments) observed in the Protein Data Bank. We use the Rosetta Molecular Modeling Suite to recombine protein side chains in these contact pools to generate hundreds of thousands of energetically favorable binding sites for a target ligand. These composite binding sites are built into existing scaffold proteins matching the intended binding site geometry with high accuracy. In addition, we apply pools of side chain rotamers interacting with the target ligand to augment Rosetta’s conventional design machinery and improve key metrics known to be predictive of design success. We demonstrate that our method reliably builds diverse binding sites into different scaffold proteins for a variety of target molecules. Our generalizable de novo ligand binding site design method provides a foundation for versatile design of protein to interface previously unattainable molecules for applications in medical diagnostics and synthetic biology.
Self-Perception and Relative Increases in Substance Use Problems in Early Adulthood:

This study assessed self-perception as a long-term predictor of relative changes in problems related to alcohol and marijuana use in early adulthood. Self-report questionnaires were completed by a ...
Continuing a community of practice beyond the death of its domain: examining the Tales of Link subreddit

Communities of practice (COPs) have become increasingly important across a wide range of casual and business contexts, including innovative technical product development, refining skill sets for co...
A Fairness-Based Heuristic Technique for Long-Term Nurse Scheduling

We present a new heuristic long-term solution to the Nurse Scheduling Problem (NSP). Nurse scheduling requires the satisfaction of a set of constraints: Hard constraints that must be satisfied, and...
A FETI approach to domain decomposition for meshfree discretizations of nonlocal problems

Abstract We propose a domain decomposition method for the efficient simulation of nonlocal problems. Our approach is based on a multi-domain formulation of a nonlocal diffusion problem where the subdomains share “nonlocal” interfaces of the size of the nonlocal horizon. This system of nonlocal equations is first rewritten in terms of minimization of a nonlocal energy, then discretized with a meshfree approximation and finally solved via a Lagrange multiplier approach in a way that resembles the finite element tearing and interconnect method. Specifically, we propose a distributed projected gradient algorithm for the solution of the Lagrange multiplier system, whose unknowns determine the nonlocal interface conditions between subdomains. Several two-dimensional numerical tests on problems as large as 191 million unknowns illustrate the strong and the weak scalability of our algorithm, which outperforms the standard approach to the distributed numerical solution of the problem. This work is the first rigorous numerical study in a two-dimensional multi-domain setting for nonlocal operators with finite horizon and, as such, it is a fundamental step towards increasing the use of nonlocal models in large scale simulations.
Sex-Based Harassment in the United States’ K-12 Schools: Rates and Predictors of Allegations, Student Reporting, and Student Discipline

Title IX prohibits sex-based harassment (SBH) in all federally funded educational activities, yet little is known about SBH in K-12 schools. We used the Civil Rights Data Collection (CRDC) data (N ...
AutoCCS: Automated collision cross section calculation software for ion mobility spectrometry-mass spectrometry.

MOTIVATION Ion mobility spectrometry (IMS) separations are increasingly used in conjunction with mass spectrometry (MS) for separation and characterization of ionized molecular species. Information obtained from IMS measurements includes the ion's collision cross section (CCS), which reflects its size and structure and constitutes a descriptor for distinguishing similar species in mixtures that cannot be separated using conventional approaches. Incorporating CCS into MS-based workflows can improve the specificity and confidence of molecular identification. At present, there is no automated, open-source pipeline for determining CCS of analyte ions in both targeted and untargeted fashion, and intensive user-assisted processing with vendor software and manual evaluation is often required. RESULTS We present AutoCCS, an open-source software to rapidly determine CCS values from IMS-MS measurements. We conducted various IMS experiments in different formats to demonstrate the flexibility of AutoCCS for automated CCS calculation: 1) stepped-field methods for drift tube-based IMS (DTIMS), 2) single-field methods for DTIMS (supporting two calibration methods: a standard and a new enhanced method) and 3) non-linear calibration methods for traveling wave based-IMS (TWIMS) in Waters Synapt and Structures for Lossless Ion Manipulations (SLIM). We demonstrated that AutoCCS offers an accurate and reproducible determination of CCS for both standard and unknown analyte ions in various IMS-MS platforms, IMS-field methods, ionization modes, and collision gases, without requiring manual processing. AVAILABILITY https://github.com/PNNL-Comp-Mass-Spec/AutoCCS. SUPPLEMENTARY INFORMATION Supplementary data are available at Bioinformatics online.
Chinese Adulthood Higher Education

While direct progression from secondary to tertiary education was never universally successful, many who missed their first opportunities managed to resume higher education at older ages. This article, for the first time, examines Chinese people's life-course dynamics in enrollment in such adulthood higher education (AHE). Using life history data from the Chinese General Social Survey 2003, I found that while marriage and parenthood reduced the likelihood of AHE enrollment, employment had a positive effect, which went beyond simple life-course logic and found an institutional explanation in work-based state sponsorship (i.e., affiliations with Party/government agencies and state-owned professional services, cadre leadership, and Party membership). Furthermore, certain institutional effects became stronger in the context of educational expansion during the post-1978 reform period—a finding consistent with previous research on China's institutional changes as well as the "maximally maintained inequality" pr...
Control of Output Feedback Systems under Randomly Varying Distributed Delays

An output feedback control law has been formulated in a stochastic setting, based on the principles of minimum variance filtering and dynamic, programming, for application to processes that are subjected to randomly varying distributed delays. The proposed estimation and control law for delay compensation is built upon the concept of the conventional Linear Quadratic Gaussian (LQG), hereafter called Delay Compensated Linear Quadratic Gaussian (DCLQG). Although the certainty equivalence property of LQG does not hold for DCLQG in general, the combined state estimation and state feedback approach of DCLQG offers a suboptimal solution to the control problem under randomly varying distributed delays. DCLQC is potentially applicable to analysis and synthesis of control systems for vehicle management of future generation aircraft where a computer network is employed for distributed processing and on-line information exchange between diverse control and decision-making functions.