cssi/SciSciGPT-SciSciNet huggingface dataset:
Disulfide Trapping for Modeling and Structure Determination of Receptor: Chemokine Complexes

Despite the recent breakthrough advances in GPCR crystallography, structure determination of protein-protein complexes involving chemokine receptors and their endogenous chemokine ligands remains challenging. Here, we describe disulfide trapping, a methodology for generating irreversible covalent binary protein complexes from unbound protein partners by introducing two cysteine residues, one per interaction partner, at selected positions within their interaction interface. Disulfide trapping can serve at least two distinct purposes: (i) stabilization of the complex to assist structural studies and/or (ii) determination of pairwise residue proximities to guide molecular modeling. Methods for characterization of disulfide-trapped complexes are described and evaluated in terms of throughput, sensitivity, and specificity toward the most energetically favorable crosslinks. Due to abundance of native disulfide bonds at receptor:chemokine interfaces, disulfide trapping of their complexes can be associated with intramolecular disulfide shuffling and result in misfolding of the component proteins; because of this, evidence from several experiments is typically needed to firmly establish a positive disulfide crosslink. An optimal pipeline that maximizes throughput and minimizes time and costs by early triage of unsuccessful candidate constructs is proposed.
Evaluation of a hybrid ion exchange-catalyst treatment technology for nitrate removal from drinking water

Ion exchange (IX) is the most common approach to treating nitrate-contaminated drinking water sources, but the cost of salt to make regeneration brine, as well as the cost and environmental burden of waste brine disposal, are major disadvantages. A hybrid ion exchange-catalyst treatment system, in which waste brine is catalytically treated for reuse, shows promise for reducing costs and environmental burdens of the conventional IX system. An IX model with separate treatment and regeneration cycles was developed, and ion selectivity coefficients for each cycle were separately calibrated by fitting experimental data. Of note, selectivity coefficients for the regeneration cycle required fitting the second treatment cycle after incomplete resin regeneration. The calibrated and validated model was used to simulate many cycles of treatment and regeneration using the hybrid system. Simulated waste brines and a real brine obtained from a California utility were also evaluated for catalytic nitrate treatment in a packed-bed, flow-through column with 0.5 wt%Pd-0.05 wt%In/activated carbon support (PdIn/AC). Consistent nitrate removal and no apparent catalyst deactivation were observed over 23 d (synthetic brine) and 45 d (real waste brine) of continuous-flow treatment. Ion exchange and catalyst results were used to evaluate treatment of 1 billion gallons of nitrate-contaminated source water at a 0.5 MGD water treatment plant. Switching from a conventional IX system with a two bed volume regeneration to a hybrid system with the same regeneration length and sequencing batch catalytic reactor treatment would save 76% in salt cost. The results suggest the hybrid system has the potential to address the disadvantages of a conventional IX treatment systems.
Who will be able to perform open biliary surgery in 2025

Background Although laparoscopic cholecystectomy (LC) is the gold standard, some patients still require an open cholecystectomy (OC). This study evaluates the mean number of OCs performed by each graduating general surgery resident during each of 3 decades. Study Design Data were obtained from all patients undergoing a cholecystectomy during 3 decades: prelaparoscopic era (1981 to 1990), first decade of LC (1991 to 2001), and recent decade of LC (2004 to 2013). Data were prospectively collected and retrospectively reviewed and analyzed by chi-square or Fisher's exact test. Results Compared with the prelaparoscopic decade, the number of patients undergoing an OC decreased considerably, by 67%, during the first decade of LC, and by 92% during the most recent decade at the 2 core teaching hospitals. Mean number of OCs performed per graduating chief general surgery resident decreased significantly for both laparoscopic decades compared with the prelaparoscopic decade (70.4, 22.4, and 3.6, respectively). In the last decade at the core institutions, 683 (8.8%) patients also underwent an intraoperative cholangiogram (IOC) and 36 (0.5%) underwent common bile duct exploration (CBDE). When biliary cases done at affiliated institutions during the last decade were included, the mean number of OCs (from 3.6 to 10.2), IOCs (from 683 to 2,098), and CBDEs (from 36 to 116) all increased (p Conclusions There has been a considerable decline in the number of OCs, IOCs, and CBDEs available to our trainees during the past 30 years. New training paradigms should include renewed focus on performing an IOC and/or CBDE as clinically indicated during LC; high-quality simulation programs for OC, IOC, and CBDE; and the availability of an advanced video library depicting complicated open biliary procedures.
“Mad” About Mandates: The Issue of Who Should Pay for What Resurfaces in the 1990s

In 1990, constitutional amendment proposals were put before the voters in Florida and Wisconsin (nonbinding) to limit unfunded state mandates. This brought the number of states with constitutionally based mandate-reimbursement requirements tofifteen. Voter support was garnered by attributing local property-tax increases and loss of local control over spending priorities to unfunded state mandates. The Florida and Wisconsin efforts came close on the heels of state mandate studies by the U.S. General Accounting Office, National Conference of State Legislatures, Urban Institute, and U.S. Advisory Commission on Intergovernmental Relations. Fifty-two hypotheses are generatedfrom these studies and the Florida and Wisconsin cases to help structurefuture research. As the mandate limitation movement spreads, larger data bases will be available with which to test these propositions. In the states that already have limits on unfunded state mandates, research will shift to the policy consequences of these restrictions.
Circulating L-selectin expressing-T cell subsets correlate with the severity of Foxp3 deficiency autoimmune disease.

L-selectin (CD62L) is normally highly expressed in naive T cells. The expression levels of CD62L have been reported to be decreased on T cells during the inflammatory state. It is currently unknown whether the frequency of CD62L+ T cell subsets in the peripheral blood can be used as a marker to indicate is disease severity during inflammation. Our study evaluated whether circulating CD62L+ T cell subsets correlate with the severity of disease by testing an autoimmune condition of scurfy (sf) mouse associated with multi-organ inflammation due to regulatory T cell deficiency. We observed that scurfy mice spontaneously developed an inflammatory phenotype with a significant decrease in the percentage of CD62L-expressing CD4+ T and CD8+ T cells in the peripheral blood. The percentage of CD62L+CD4+ T and CD62L+CD8+ T cells negatively correlated with disease severity, as determined by the weight of spleen and liver, as well as the mean area of lymphocyte infiltrates in lung and liver. The percentage of CD8+ T cells also correlated directly with these markers of disease severity. To conclude, our results support the concept that circulating CD62L-expressing T cells may be used as markers of disease severity in sf mice which is equivalent to a syndrome characterized by immune dysregulation with polyendocrinopathy, enteropathy, and X-linked inheritance (IPEX syndrome) in humans, or in other autoimmune or inflammatory conditions.
A MEASURE OF CLOUD CLUSTERING IN THE CLOUD FIELD

The dependence of cumulus cloud cover frenquency distribution on cloud clustering pattern is examined through Monte Carlo Simulations and Landsat data, using a cloud segmentation method and the NNCDF (nearest neighbor cumulative distribution function) analysis. It is shown that the “modal” size of a cloud size distribution, the size where the size weighted cloud cover (as a function of cloud size) reaches the maximum, is not an adequate description of a cloud size distribution because of its dependence on the size of the cloud size bin. It is also shown that, for cumulus clouds, there exists a minimum in the relationship between the “ model” size and the size of the cloud size bin. This “minimmum modal size” is unique for any given cloud size distribution. Results show that, in a cloud field where cloud elements are of the same size but are allowed to overlap to form larger clouds, the “minimum modal size” is related to the shape of cloud cover frequency distribution. Results also show that cloud size distribution brings in a form of clustering that is different from the clustering caused by the clustering of cloud centers. For such cases, the “effective” cloud size, the size retrieved from the shape of cloud cover frenquency distribution, depends on grid area size, and this dependence is dependent on the clustering of clouds.
The FCTC Turns 10: Lessons From the Fist Decade

The Framework Convention on Tobacco Control (FCTC) stands as a landmark approach to addressing a global health problem. It represents the first time the World Health Organization (WHO) used its constitutional right to negotiate an international law and the first time the Member States of WHO agreed to a collective response to chronic, non-communicable diseases. This paper draws lessons from the FCTC's first decade in force and explores what aspects of the FCTC experience can inform future efforts to address other disease epidemics driven by corporate activity, such as alcohol and food.
Developing Unified Marine Climate Change Research

From the organization’s earliest deliberations, the governing council envisioned creating an ambitious core integrative science program for scientists to rally around. Such a program had to create a balance between being broad enough to capture the big questions of pressing importance, yet focused enough to be tractable
Silicon strip prototypes for the ATLAS upgrade tracker of the HL-LHC

This paper describes the integration structures for the silicon strips tracker of the ATLAS detector for the Phase-II upgrade of the Large Hadron Collider (LHC), also referred to as High-Luminosity LHC (HL-LHC). Silicon strip sensors are arranged in highly modular structures, called 'staves' and 'petals'. This paper focuses on the prototyping effort developed by the strips tracker barrel community, as well as on the description of one of the latest stave prototypes. This new prototype is composed of a particular core structure, in which a shield-less bus tape is embedded in between carbon fiber layups. Electrical and thermal performances of the prototype are presented, as well as a description of the assembly procedures and tools.
On Spies, Conspiracies and Intruders: Ethnographic Encounters with “America” in Rural India

Rasanblaj: n. assembly, compilation, enlisting, regrouping (of ideas, things, people, spirits; for example, fe yon rasanblaj, do a gathering, a ceremony, a protest).When I began my ethnographic res...
A GIS of affordances: Movement and visibility at a planned colonial town in highland Peru

Abstract Archaeological GIS is moving towards increasingly detailed, embodied, multidimensional simulations and analyses of human experience in the past. Most of the emerging GIS research synthesizing spatial modeling and subject-centered approaches has been concerned with practices and perceptions of landscape. This paper tightens the analytical focus to the more intimate scale of a single settlement, combining models of movement and visual experience within a planned colonial town in highland Peru. Such a rendering is important, since controlling movement and visual experience were central to the colonial project that built this and other such towns in the Viceroyalty of Peru. This study centers on an exceptionally well-preserved, relict planned colonial town in highland Peru to investigate affordances of movement and visibility within it. Several GIS-based simulations and analytical techniques are brought together, including drone-based high resolution three dimensional modeling, spatial network analysis, walking models, and cumulative viewshed analysis, to simulate aggregate visual experience as people moved through the town. The results are suggestive of how the layout of the town specifically routed transit to facilitate the visual prominence of the church and original Inka plaza of the reduccion, as well as the prominence of indigenous elite households. Both continuities and discontinuities of movement and visual experience relative to Inkaic and Spanish colonial spaces are evident. By extension, this paper also provides a pathway for quantitative and reproducible modeling of site-scale movement and visual affordances as dimensions of subject and community formation in other global contexts.
Testicular Rupture: A Tough Nut to Crack

Blunt scrotal injury represents a diagnostic dilemma for emergency physicians (EP). Consequently, point-of-care ultrasound (POCUS) has emerged as a tool for early investigation of the acute scrotum in the emergency department. We describe a case where an EP used scrotal POCUS to immediately visualize the loss of testicular contour and underlying heterogeneous parenchyma to rapidly make the diagnosis of testicular rupture in a young male presenting with scrotal trauma. The use of POCUS in this case expedited therapy, likely improving the patient's outcome. To our knowledge, this is the first detailed description of testicular rupture diagnosed with POCUS by an EP.
Is Magnet® recognition associated with improved outcomes among critically ill children treated at freestanding children's hospitals?

Abstract Purpose With increasing emphasis on high-quality care, we designed this study to evaluate the relationship between Magnet® recognition and patient outcomes in pediatric critical care. Materials and methods Post hoc analysis of data from an existing administrative national database. We used inverse probability of treatment weighting and multivariate models to compare outcomes between two study groups after adjusting for confounding variables. Results A total of 823,634 pediatric patients from 41 centers were included. Of these, 454,616 patients (55.2%) were treated in 23 Magnet hospitals. The majority of baseline characteristics did not vary significantly among the two study groups. In adjusted models, there was no difference in mortality between the two groups (Magnet vs. non-Magnet; odds ratio: 0.92, 95% confidence interval: 0.77–1.11). When stratified by various subgroups, such as cardiac, non-cardiac, ECMO, cardiac arrest, respiratory failure, use of nitric oxide, genetic abnormality etc., Magnet status of the hospital did not confer a survival advantage. In a sensitivity analysis on patients from crossover hospitals only, attainment of magnet status was associated with increased hospital charges. Conclusions This large observational study calls into question the utility of the Magnet Recognition Program among children with critical illness, at least among the freestanding children's hospitals.
Nice, but we can’t afford it: challenging austerity and finding abundance in inclusive education

This paper argues that it is very possible, even in times of monetary austerity, to decrease the perceived costs of inclusion by resurrecting the vocabulary of belonging, friendship and love. Quali...
The Dynamic Relationship between Unhealthy Weight Control and Adolescent Friendships: A Social Network Approach.

Although adolescence marks a vulnerable stage for peer influence on health behavior, little is known about the longitudinal and dynamic relationship between adolescent friendship and weight control. The current study aims to explain these dynamic processes among a sample of 1156 American adolescents in grades 9–11 (48.6% girls, 23.4% European American, 25.2% African American) from the National Longitudinal Study of Adolescent Health. Stochastic actor-oriented models were fit to examine changes in friendship networks and unhealthy weight control across two waves. The findings support a bidirectional relationship where weight control predicts future friendship seeking and friendship seeking predicts future weight control. The findings also indicate that adolescents prefer friends with similar weight control patterns. Taken together, the results of the current study indicate that adolescent friendships play an integral role in the development of unhealthy weight control and thus can be used to identify adolescents at risk and serve as targets within preventive interventions.
The Impact of State Legislation and Model Policies on Bullying in Schools

BACKGROUND The purpose of this study was to determine the impact of the coverage of state legislation and the expansiveness ratings of state model policies on the state-level prevalence of bullying in schools. METHODS The state-level prevalence of bullying in schools was based on cross-sectional data from the 2013 High School Youth Risk Behavior Survey. Multiple regression was conducted to determine whether the coverage of state legislation and the expansiveness rating of a state model policy affected the state-level prevalence of bullying in schools. RESULTS The purpose and definition category of components in state legislation and the expansiveness rating of a state model policy were statistically significant predictors of the state-level prevalence of bullying in schools. The other 3 categories of components in state legislation-District Policy Development and Review, District Policy Components, and Additional Components-were not statistically significant predictors in the model. CONCLUSIONS Extensive coverage in the purpose and definition category of components in state legislation and a high expansiveness rating of a state model policy may be important in efforts to reduce bullying in schools. Improving these areas may reduce the state-level prevalence of bullying in schools.
Trucks without Bailouts: Equilibrium Product Characteristics for Commercial Vehicles

The entry and exit of products, rather than firms, serve as the main equilibrating force in many markets, so accurately predicting changes from a merger or bankruptcy should incorporate this behavior. This paper estimates a structural model of the US commercial vehicle market and demonstrates the importance of allowing for endogenous product offerings in the context of the $85 billion automotive industry bailout in 2009. Under alternate policies that facilitate an acquisition or liquidation of GM and Chrysler, product entry and exit moderate markup increases and output decreases by up to three-quarters.
Implosion of Time: Body, Emotions, and Terror in the Neoliberal Civilization in Chile

This work focuses on lived experience during the development of Chilean neoliberalism at the end of twentieth century. It first describes its origins, derived from the experiment carried out by the civic-military regime in Chile since 1975, which would mature in the 1990s with the Concertacion Government. Time is imagined as a production of meaning from the body based on an emotion, fear, and on a specific type, terror, in two different contexts. Research about different aspects of time by Heidegger, Husserl, Bloch, Hartog, Safransky, and Carr—and about terror, body, and emotions by Korstanje, Scribano, Feierstein, Bauman, and so on—is theoretically projected onto this particular, abovementioned, context, showing that they are configured as remembrance and protention, diverse scales of a time paralysing the construction of a socio-political human being, according to illustrated precepts, where the way in which the body acts and disciplines the course of the past, present, and future emotionally closes other possible options for autonomous production, imposing risk as a structure of freedom and happiness.
Active daytime radiative cooling using spectrally selective surfaces for air conditioning and refrigeration systems

Abstract Surfaces that exhibit high reflectivity at short (solar) wavelengths and high emissivity at long (terrestrial) wavelengths can experience net radiation cooling, even when subjected to high levels of solar irradiation. A model is developed to quantify passive cooling rates provided by such a surface for an air conditioning application. The model is then extended to predict the performance of a new, photovoltaic-powered air conditioning or refrigeration system where the selective surface actively rejects heat from the air conditioning unit by radiation and convection. It is shown that use of spectrally selective surfaces that have been recently suggested for passive cooling might be better used actively to more effectively: match cooling loads, reduce the required heat rejection surface area, and increase the heat transferred from Earth through the atmospheric window. The proposed active daytime radiative cooling concept also has advantages over more traditional air conditioning approaches.
A scoping review of Advanced Practice Registered Nurses Consensus Model outcomes: Part four of a four-part series on critical topics identified by the 2015 Nurse Practitioner Research Agenda.

ABSTRACTBackground and purpose:The Advanced Practice Registered Nurses (APRN) Consensus Model was produced by the APRN Joint Dialogue Group in 2008. The aim of the Consensus Model is to guide state boards on the implementation of APRN practice components, including licensure, accreditation, certific
Infographics as an assignment to build digital skills in the social work classroom

According to the theory of experiential learning, ideal learning happens in contexts that offer concrete experiences and active experimentation alongside abstract and reflective learning. Bloom’s T...
Effect of Methylphenidate and Duloxetine on Neurotoxicity in CAR-T: A Case Study

Introduction Chimeric Antigen Receptor (CAR) T-cell therapy is a promising therapy for B-cell malignancies; however, it is associated with serious adverse effects including cytokine release syndrome and neurotoxicity. The incidence of neurotoxicity in two landmark trials ranged from 40-64%.1,2 Common signs and symptoms of neurotoxicity may include confusion, delirium, tremor, agitation, headache, personality changes, somnolence and dysphasia/aphasia. We report a case of severe neurotoxicity followed by significant depression and abulia. Methods We reviewed the case of a patient who experienced neurotoxicity after CD19 directed CAR T-cell therapy. The patient developed grade 2 neurotoxicity by CTCAE v4.0 consisting of aphasia, facial droop, nystagmus, tongue fasciculations, handwriting changes, and paranoid delirium. The patient was treated with intravenous dexamethasone 10mg every 6 hours with worsening of neurotoxicity during steroid taper. The patient was discharged on oral dexamethasone when medically stable then subsequently readmitted with different neurocognitive manifestations including failure to thrive, profound personality changes, passive suicidal ideation, abulia, paranoia, depression, and weakness. The patient had stopped taking all medications, including steroids, and refused all medical care. Steroids were not restarted due to steroid myopathy and psychosis. Infectious and structural complications were ruled out. Physical Medicine and Rehabilitation (PMR) was consulted. Based on evidence-based neuro-rehabilitation interventions, methylphenidate and duloxetine were recommended. Results The patient was started on methylphenidate 10mg twice daily and duloxetine extended release 30mg daily. Within 24 hours, the patient showed marked improvement with motivation to participate in medical care, improvement in anhedonia, and resolution of passive suicidal ideation. The patient showed significant improvement in physical function after participation in a multimodal inpatient rehabilitation program. Conclusion Significant improvement in neurocognitive function was seen within 24 hours after the initiation of methylphenidate and duloxetine. We propose this drug combination as a potential treatment in CAR-T patients with neurocognitive dysfunction as sequelae of neurotoxicity.
News Media Coverage of Crime and Violent Drug Crime: A Case for Cause or Catalyst?

Evidence about the relationship between exposure to media violence and criminal activity remains mixed. While some scholars argue that exposure to violent media content "triggers" crime and aggress...
Qatar’s Response to the Crisis: Public Diplomacy as a Means of Crisis Management

In the next chapter, Al-Muftah explains at how Qatar has employed public diplomacy to handle the crisis and counter the war by narrative waged by the quartet. This chapter intends to show how public diplomacy in its various dimensions has been employed by Qatar to maximize its soft power to win over the hearts and minds in the Western public sphere in what could be defined as a war over narratives. This chapter particularly focuses on the utility of public diplomacy as a force multiplier of conventional diplomacy, to pave the way for de-securitizing the issue of Qatar’s alleged terror finance and amicable relationship with Iran to counter what the blockading countries, and the United Arab Emirates especially, had tried to frame as an extraordinary security issue. Al-Muftah concludes that Qatar has been rather successful in undermining the allegations, which had served as justification by its neighbours to impose the blockade.
FOCUS: effect of diet and protein source on carbon stable isotope ratios in collagen: follow up to Warinner and Tuross (2009)

Abstract We analyzed carbon stable isotope data from bone collagen of animals consuming varied experimental diets, including recently published data from Warinner and Tuross [Warinner, C., Tuross, N., 2009. Alkaline cooking and stable isotope tissue–diet spacing in swine: archaeological implications. Journal of Archaeological Science 36, 1690–1697; this journal]. Comparing regression lines for the relationship between collagen and diet δ 13 C, we show that protein source, and not physiology, explains the apparent taxonomic difference between swine and rodents reported in that paper. Our results reveal a complex relationship between whole diet and dietary protein in determining collagen δ 13 C values, such that in many cases, collagen alone may not provide reliable reconstructions of paleodiet. We advocate the simultaneous use of both collagen and apatite δ 13 C, whenever possible, to assess the diets of prehistoric peoples.
Estivation in the Apple Snail Pomacea maculata: Mobilization of Calcium Granules in the Lung

The effect of long-term estivation on the abundance of calcium granules in the lung tissue of the apple snail Pomacea maculata Perry was studied. Electron-dispersive spectrophotometric analysis of the shell and the granular inclusions in the lung show that both structures are composed of calcium carbonate. The layers forming the shell are similar to those found in the shells of other gastropods. Calcium granules are extremely abundant in the tissues of the lung of P. maculata. The spherical granules consist of concentric layers of material inside calcium cells. There are three distinct populations of hemocytes in P. maculata hemolymph, two cell types with granulocytic morphology and one agranular type. Selective staining shows that hemocytes contain large amounts of calcium, implicating these cells in the transport of calcium carbonate from storage sites to other tissues. The pCO2 of the hemolymph increases in estivating gastropods, and it has been suggested that stores of solid calcium carbonate are mobilized to buffer the resulting acidity. Results of this study show that a large decrease in the abundance of calcium carbonate granules in the lung tissue occurs during estivation. In addition, there is evidence that a calcium binding protein is present in the hemocytes.
Cost-effectiveness of consensus guideline based management of pancreatic cysts: The sensitivity and specificity required for guidelines to be cost-effective.

Abstract Background Detection of cystic lesions of the pancreas has outpaced our ability to stratify low-grade cystic lesions from those at greater risk for pancreatic cancer, raising a concern for overtreatment. Methods We developed a Markov decision model to determine the cost-effectiveness of guideline-based management for asymptomatic pancreatic cysts. Incremental costs per quality-adjusted life year gained and survival were calculated for current management guidelines. A sensitivity analysis estimated the effect on cost-effectiveness and mortality if overtreatment of low-grade cysts is avoided, and the sensitivity and specificity thresholds required of methods of cyst stratification to improve costs expended. Results “Surveillance” using current management guidelines had an incremental cost-effectiveness ratio of $171,143/quality adjusted life year compared with no surveillance or operative treatment (“do nothing”). An incremental cost-effectiveness ratio for surveillance decreases to $80,707/quality adjusted life year if the operative overtreatment of low-grade cysts was avoided. Assuming a societal willingness-to-pay of $100,000/quality adjusted life year, the diagnostic specificity for high-risk cysts must be >67% for surveillance to be preferred over surgery and “do nothing.” Changes in sensitivity alone cannot make surveillance cost-effective. Most importantly, survival in surveillance is worse than “do nothing” for 3 years after cyst diagnosis, although long-term survival is improved. The disadvantage is eliminated when overtreatment of low-grade cysts is avoided. Conclusion Current management of pancreatic cystic lesions is not cost-effective and may increase mortality owing to overtreatment of low-grade cysts. The specificity for risk stratification for high-risk cysts must be greater than 67% to make surveillance cost-effective.
Head-to-Head Comparison of Social Network Assessments in Stroke Survivors:

Background and Purpose:Social networks influence human health and disease through direct biological and indirect psychosocial mechanisms. They have particular importance in neurologic disease becau...
What's the gap? A possible strategy for advancing theory, and an appeal for experimental structure data to drive that advance

There is substantial demand for theoretical/computational tools that can produce correct predictions of the geometric structure and band gap to accelerate the design and screening of new materials with desirable electronic properties. DFT-based methods exist that reliably predict electronic structure given the correct geometry. Similarly, when good spectroscopic data are available, these same methods may, in principle, be used as input to the inverse problem of generating a good structural model. The same is generally true for gas-phase systems, for which the choice of method is different, but factors that guide its selection are known. Despite these successes, there are shortcomings associated with DFT for the prediction of materials' electronic structure. The present paper offers a perspective on these shortcomings. Fundamentally, the shortcomings associated with DFT stem from a lack of knowledge of the exact functional form of the exchange–correlation functional. Inaccuracies therefore arise from using an approximate functional. These inaccuracies can be reduced by judicious selection of the approximate functional. Other apparent shortcomings present due to misuse or improper application of the method. One of the most significant difficulties is the lack of a robust method for predicting electronic and geometric structure when only qualitative (connectivity) information is available about the system/material. Herein, some actual shortcomings of DFT are distinguished from merely common improper applications of the method. The role of the exchange functional in the predicted relationship between geometric structure and band gap is then explored, using fullerene, 2D polymorphs of elemental phosphorus and polyacetylene as case studies. The results suggest a potentially fruitful avenue of investigation by which some of the true shortcomings might be overcome, and serve as the basis for an appeal for high-accuracy experimental structure data to drive advances in theory.
COVID-19 cases in US counties: roles of racial/ethnic density and residential segregation.

To investigate how racial/ethnic density and residential segregation shape the uneven burden of COVID-19 in US counties and whether (if yes, how) residential segregation moderates the association b...
A simple method to quantify protein abundances from one thousand cells

Abstract The rise of single-cell transcriptomics has created an urgent need for similar approaches that use a minimal number of cells to quantify expression levels of proteins. We integrated and optimized multiple recent developments to establish a proteomics workflow to quantify proteins from as few as 1,000 mammalian stem cells. The method uses chemical peptide labeling, does not require specific equipment other than cell lysis tools, and quantifies >2,500 proteins with high reproducibility. We validated the method by comparing mouse embryonic stem cells and in vitro differentiated motor neurons. We identify differentially expressed proteins with small fold-changes, and a dynamic range in abundance similar to that of standard methods. Protein abundance measurements obtained with our protocol compare well to corresponding transcript abundance and to measurements using standard inputs. The protocol is also applicable to other systems, such as FACS-purified cells from the tunicate Ciona. Therefore, we offer a straightforward and accurate method to acquire proteomics data from minimal input samples.
Managing by the Numbers

Building on the idea of data analytic proficiency, as encapsulated by familiarity with statistical, algorithmic, and visual data utilization avenues discussed in the previous chapter, this section aims to relate the technical data utilization capabilities to organizational decision-making processes. Starting with a brief, context-setting overview of the history of organizational management, the idea of analytically enabled management is examined in the context of the difference between managing ‘by’ the numbers and managing ‘to’ the numbers. The resultant emerging themes are conclusively summarized with the help of data analytic adeptness continuum, meant to offer directional means of assessing the extent of organizational data analytic literacy.
Data-driven stochastic optimization for power grids scheduling under high wind penetration

To address the environmental concern and improve the economic efficiency, the wind power is rapidly integrated into smart grids. However, the inherent uncertainty of wind energy raises operational challenges. To ensure the cost-efficient, reliable and robust operation, it is critically important to find the optimal decision that can correctly and rigorously hedge against all sources of uncertainty. In this paper, we propose data-driven stochastic unit commitment (SUC) to guide the power grids scheduling. Specifically, given the finite historical data, the posterior predictive distribution is developed to quantify the wind power prediction uncertainty accounting for both inherent stochastic uncertainty of wind power generation and input model estimation error. For complex power grid systems, a finite number of scenarios is used to estimate the expected cost in the planning horizon. To further control the impact of finite sampling error induced by using the sample average approximation (SAA), we propose a parallel computing based optimization solution methodology, which can quickly find the reliable optimal unit commitment decision hedging against various sources of uncertainty. The empirical study over six-bus and 118-bus systems demonstrates that our approach can provide more cost-efficient and robust performance than the existing deterministic and stochastic unit commitment approaches.
What Is Design

The design is a commonly used English word that describes a variety of different human activities, depending on the context and the field of interest. In this book, the word “design” refers to a series of creative activities that are related to solving a problem identified in the customer domain to achieve a goal through synthesis. The identified problem is solved through synthesis. A set of functional requirements (FRs) is established in the functional domain through the mapping between the customer domain and the functional domain. The FRs are then satisfied by selecting design parameters (DPs) in the physical domain through the mapping between the functional and the physical domains. The selected DPs must satisfy the Independence Axiom, i.e., FRs at a given level of decomposition must not affect other FRs by the selected DP or be affected by other FRs. DPs are, in turn, satisfied by selecting process variables (PVs) in the process domain through the mapping between the physical domain and the process domain. Thus, the design consists of a series of transformation processes, beginning from the goal and the problems identified in the customer domain to FRs of the functional domain, FRs to DPs in the physical domain, and DPs to PVs in the process domain. In this design process, analysis often follows synthesis for the quantification of design decisions made.
Characterization of the Coronavirus Pandemic on Signalized Intersections Using Probe Vehicle Data

Probe vehicle speed data are being used to evaluate traffic congestion characteristics, resiliency, and network response at local, corridor, and regional levels. A better understanding of changes in traffic characteristics, 24-hours a day, 7 days a week, can be realized through the analysis of spatially located, temporal speed data. This paper explores the possibility to use probe vehicle data sets to quantify the impact of Coronavirus (COVID-19), which closed New Jersey State schools and buildings starting around March 18, 2020. The preliminary research analyzed about 500,000 speed records over a 21 week period at two intersections in Northern New Jersey to numerically and visually characterize the speed patterns. A simplistic comparison of average speeds binned in 15, 10, and 1-minute increments was conducted to quantify the change in vehicle travel speeds. Although further research and statistical analysis is necessary to evaluate the data as it relates to the New Jersey State pandemic policies, the preliminary results indicate that school closures and stay-at-home orders effectively increased speeds at the two study sites. Based on these results a statewide analysis, with evolving performance metrics, will be conducted.
Using What We Know

As witnessed by this volume, there is growing attention to the construct of commitment by both theorists and researchers. Having come to appreciate the substantial role that commitment plays in understanding relationship stability and quality, our goal is to present ideas on the cognitive implications of commitment for both understanding and changing couple dynamics. In particular, we focus on some ways in which commitment theory can aid in the practice of marital therapy.
Graphical Specification of Recursive Queries

We describe an OR database model and transformation operators on this model. A graphical query language based on these operators allows the user to specify conveniently a subclass of recursive queries.
Organizational Antecedents of Trust in Producer-owned Firms

We examine how organizational characteristics of producer-owned firms affect the level of perceived trust among cooperative members, using survey data from a sample of U.S. agricultural cooperatives. Our results indicate trust is correlated with property right and organizational structures previously identified in the literature as significant for cooperative performance. We find that the norm of equality and the homogeneity of member interests are key antecedents of organizational trust in producer-owned firms. We also find that some property right structures that improve organizational trust are counterproductive for member investment incentives.
Improved expression vector for Brucella species

We constructed an improved vector pNSGroE for gene expression stud-ies in Brucella spp. It is derived from the broad host range cloning vector pBBR1MCS (1). This new plasmid has several advantages over pBBR1MCS or its derivatives pBBGroE (2): (i) it is smaller in size, 2.9 kb; (ii) it expresses proteins as His-tagged fusion for easy detection and purification; (iii) it car-ries the groE promoter for constitutive expression that is enhanced under con-ditions of stress in vitro and in vivo; and (iv) it has higher levels of heterologous protein expression. Our expression studies in Brucella abortus strain RB51 indicated that the level of heterologous protein expression is higher with pNS-GroE compared to pBBGroE vector. We have also demonstrated the ability of the new vector to express heterolo-gous fusion proteins stably in Brucella species. The smaller size of the new vector was achieved by combining only the very essential elements for replica-tion and expression [minimum origin of replication, promoter, antibiotic selection marker, and multiple cloning sites (MCS)] and removing all nones-sential elements in the original vector pBBR1MCS or pBBGroE (lacZ gene, mobilization gene, and 1 kb upstream of the groE promoter). The vector was constructed by excision of a 185-bp fragment containing the MCS of pRSETA vector (Invitrogen, Carlsbad, CA, USA) using XbaI and HindIII. This fragment was cloned into XbaI and HindIII sites of pGEM11 vector (Promega, Madison, WI, USA) to form construct A. The groE promoter of Brucella spp. was amplified from the genomic DNA of B. abortus strain 2308 using Platinum
Epidemiology of multiple sclerosis in U.S. veterans: V. Ancestry and the risk of multiple sclerosis

Self-reported ancestry data for the U.S. population from the 1980 decennial census and multiple sclerosis (MS) risk data derived from a large series of World War II white male veterans with MS and matched controls were aggregated on a state level and analyzed to determine the relationship between ancestry and MS risk. A significant portion of the state-by-state variation in MS risk is explainable statistically by differences in ancestry among state populations, even when geographic latitude is included in analyses. In the main, Swedish and other Scandinavian ancestry is most consistently associated with places with increased MS risk. In some analyses, Italian, French, and (to a lesser extent) Scottish ancestries are also associated with increased risk, whereas English and Dutch ancestries are each associated with decreased risk, but most of these non-Scandinavian correlations may reflect predominantly geography per se. These findings provide evidence that ancestry of the resident population, a confounded measure of genetic susceptibility and cultural environment, is part of the complicated picture of MS as a disease of place.
Voltage-sensitive dye imaging reveals shifting spatiotemporal spread of whisker-induced activity in rat barrel cortex

In rats, navigating through an environment requires continuous information about objects near the head. Sensory information such as object location and surface texture are encoded by spike firing p...
Measurement and correlation of laminar flame speeds of CO and C2 hydrocarbons with hydrogen addition at atmospheric and elevated pressures

Abstract The laminar flame speeds of mixtures of ethane, ethylene, acetylene, and carbon monoxide with small amount of hydrogen addition at atmospheric and elevated pressures were experimentally and computationally determined. It was found that the approximate linear correlation identified previously between the laminar flame speeds and an appropriate definition of the amount of hydrogen addition for methane, propane and n-butane at atmospheric pressure also largely applies to ethane, ethylene, and acetylene at atmospheric as well as elevated pressures. The linear correlation, however, does not hold for carbon monoxide, at all pressures, due to the strong catalytic effect of hydrogen on the oxidation of carbon monoxide. A mechanistic analysis shows that both the Arrhenius and diffusive contributions to the laminar flame speed are nearly linear functions of the hydrogen addition, which explains this overall approximate linear correlation.
Nutrient-dependent and insulin-stimulated phosphorylation of insulin receptor substrate-1 on serine 302 correlates with increased insulin signaling.

Ser/Thr phosphorylation of insulin receptor substrate IRS-1 regulates insulin signaling, but the relevant phosphorylated residues and their potential functions during insulin-stimulated signal transduction are difficult to resolve. We used a sequence-specific polyclonal antibody directed against phosphorylated Ser302 to study IRS-1-mediated signaling during insulin and insulin-like growth factor IGF-I stimulation. Insulin or IGF-I stimulated phosphorylation of Ser302 in various cell backgrounds and in murine muscle. Wortmannin or rapamycin inhibited Ser302 phosphorylation, and amino acids or glucose stimulated Ser302 phosphorylation, suggesting a role for the mTOR cascade. The Ser302 kinase associates with IRS-1 during immunoprecipitation, but its identity is unknown. The NH2-terminal c-Jun kinase did not phosphorylate Ser302. Replacing Ser302 with alanine significantly reduced insulin-stimulated tyrosine phosphorylation of IRS-1 and p85 binding and reduced insulin-stimulated phosphorylation of p70S6K, ribosomal S6 protein, and 4E-BP1; however, this mutation had no effect on insulin-stimulated Akt or glycogen synthase kinase 3β phosphorylation. Replacing Ser302 with alanine reduced insulin/IGF-I-stimulated DNA synthesis. We conclude that Ser302 phosphorylation integrates nutrient availability with insulin/IGF-I signaling to promote mitogenesis and cell growth.
31. Therapeutic morphine prolongs neuropathic pain in rats: A role for TLR4 and inflammasome signaling in the lumbar spinal cord

Microgliosis occurs after morphine and peripheral nerve injury alone, but the behavioral and molecular impact in tandem is unknown. We hypothesized that sciatic chronic constriction injury (CCI)-allodynia would be enhanced by subsequent repeated morphine in rats, involving TLR4, P2X7 receptor (P2X7R) and caspase-1, facilitating release of interleukin (IL)-1β. Beginning 10 days after CCI, morphine (5 mg/kg b.i.d.) or saline was administered for 5 days. Compared to vehicle, morphine significantly prolonged the duration of CCI-induced allodynia (n = 6/group; p