bluuebunny/crossref_metadata_2025 huggingface dataset:
In silico Drug Repurposing for COVID‐19: Targeting SARS‐CoV‐2 Proteins through Docking and Consensus Ranking
Authors: Cavasotto Claudio N. , Di Filippo Juan I.
Published: July 2020

In December 2019, an infectious disease caused by the coronavirus SARS‐CoV‐2 appeared in Wuhan, China. This disease (COVID‐19) spread rapidly worldwide, and on March 2020 was declared a pandemic by the World Health Organization (WHO). Today, over 21 million people have been infected, with more than 750.000 casualties. Today, no vaccine or antiviral drug is available. While the development of a vaccine might take at least a year, and for a novel drug, even longer; finding a new use to an old drug (drug repurposing) could be the most effective strategy. We present a docking‐based screening using a quantum mechanical scoring of a library built from approved drugs and compounds undergoing clinical trials, against three SARS‐CoV‐2 target proteins: the spike or S‐protein, and two proteases, the main protease and the papain‐like protease. The S‐protein binds directly to the Angiotensin Converting Enzyme 2 receptor of the human host cell surface, while the two proteases process viral polyproteins. Following the analysis of our structure‐based compound screening, we propose several structurally diverse compounds (either FDA‐approved or in clinical trials) that could display antiviral activity against SARS‐CoV‐2. Clearly, these compounds should be further evaluated in experimental assays and clinical trials to confirm their actual activity against the disease. We hope that these findings may contribute to the rational drug design against COVID‐19.
Drug‐target‐ADR Network and Possible Implications of Structural Variants in Adverse Events
Authors: Dafniet Bryan , Cerisier Natacha , Audouze Karine , Taboureau Olivier
Published: July 2020

Adverse drug reactions (ADRs) are of major concern in drug safety. However, due to the biological complexity of human systems, understanding the underlying mechanisms involved in development of ADRs remains a challenging task. Here, we applied network sciences to analyze a tripartite network between 1000 drugs, 1407 targets, and 6164 ADRs. It allowed us to suggest drug targets susceptible to be associated to ADRs and organs, based on the system organ class (SOC). Furthermore, a score was developed to determine the contribution of a set of proteins to ADRs. Finally, we identified proteins that might increase the susceptibility of genes to ADRs, on the basis of knowledge about genomic structural variation in genes encoding proteins targeted by drugs. Such analysis should pave the way to individualize drug therapy and precision medicine.
Accelerated J‐resolved 1H‐MRSI with limited and sparse sampling of (‐space
Authors: Tang Lihong , Zhao Yibo , Li Yudu , Guo Rong , Clifford Bryan , El Fakhri Georges , Ma Chao , Liang Zhi‐Pei , Luo Jie
Published: July 2020

Purpose

To accelerate the acquisition of J‐resolved proton magnetic resonance spectroscopic imaging (1H‐MRSI) data for high‐resolution mapping of brain metabolites and neurotransmitters.

Methods

The proposed method used a subspace model to represent multidimensional spatiospectral functions, which significantly reduced the number of parameters to be determined from J‐resolved 1H‐MRSI data. A semi‐LASER–based (Localization by Adiabatic SElective Refocusing) echo‐planar spectroscopic imaging (EPSI) sequence was used for data acquisition. The proposed data acquisition scheme sampled ‐space in variable density, where t1 and t2 specify the J‐coupling and chemical‐shift encoding times, respectively. Selection of the J‐coupling encoding times (or, echo time values) was based on a Cramer‐Rao lower bound analysis, which were optimized for gamma‐aminobutyric acid (GABA) detection. In image reconstruction, parameters of the subspace‐based spatiospectral model were determined by solving a constrained optimization problem.

Results

Feasibility of the proposed method was evaluated using both simulated and experimental data from a spectroscopic phantom. The phantom experimental results showed that the proposed method, with a factor of 12 acceleration in data acquisition, could determine the distribution of J‐coupled molecules with expected accuracy. In vivo study with healthy human subjects also showed that 3D maps of brain metabolites and neurotransmitters can be obtained with a nominal spatial resolution of 3.0 × 3.0 × 4.8 mm3 from J‐resolved 1H‐MRSI data acquired in 19.4 min.

Conclusions

This work demonstrated the feasibility of highly accelerated J‐resolved 1H‐MRSI using limited and sparse sampling of ‐space and subspace modeling. With further development, the proposed method may enable high‐resolution mapping of brain metabolites and neurotransmitters in clinical applications.
A crisis in US drug pricing: Consequences for patients with neuromuscular diseases, physicians and society, part 1
Authors: Burns Ted M. , Crowell Jason L. , Smith A. Gordon
Published: July 2020

Drug prices in the United States have reached astounding heights, negatively impacting patients and society. The vast majority of prescription drug spending is on brand name drugs, which are protected from typical market pressures by FDA exclusivity and intellectual property patents. Drugs to treat “orphan” diseases, of particular relevance to neuromuscular clinicians, are some of the most expensive in all of medicine. The Orphan Drug Act's original intent was to incentivize the creation of drugs that would otherwise provide little economic payoff. While it has facilitated incredible, life‐changing drugs for our patients, it has also become a source of abuse. Many expensive drugs approved under the Orphan Drug Act were previously available for compassionate use or for another indication at much lower prices. As patients increasingly face high drug prices, it is important for clinicians to understand a drug's risk for inducing financial toxicity, as the financial and emotional consequences of an overpriced low‐value drug may outweigh its intended benefit.
A semianalytical approach for solving first‐order perturbation equations of dissolution‐timescale reactive infiltration instability problems in fluid‐saturated rocks
Authors: Zhao Chongbin , Hobbs Bruce E. , Ord Alison
Published: July 2020

This paper presents a semianalytical approach for solving first‐order perturbation (FOP) equations, which are used to describe dissolution‐timescale reactive infiltration instability (RII) problems in fluid‐saturated rocks. The proposed approach contains two parts because the chemical dissolution reaction divides the whole problem domain into two subdomains. In the first part, the interface‐condition substitution strategy is used to derive the analytical expressions of purely mathematical solutions for the FOP equations in the upstream subdomain, where the dissolution chemical reaction is ceased and the FOP equations are weakly coupled. In the second part, the finite element method (FEM) is used to derive the analytical expressions of numerical solutions for the FOP equations in the downstream subdomain, where the dissolution chemical reaction needs to be considered and the FOP equations are strongly coupled so that it is impossible to derive purely mathematical solutions for them. Particular attention is paid to the development of the element‐by‐element forward marching strategy, which is associated with the use of the FEM for solving this new kind of scientific problem. The related analytical results demonstrated that (1) both the dynamic characteristic of a reactive infiltration system and the dimensionless wavenumber can have pronounced influences on the distribution of the FOP dimensionless acid concentration within the entire domain of the dissolution‐timescale RII problems in fluid‐saturated rocks and (2) the FOP dimensionless acid concentration distribution exhibits two significantly different patterns in the upstream and downstream subdomains of the dissolution‐timescale RII system.
Quinoidal bisthienoisatin based semiconductors: Synthesis, characterization, and carrier transport property
Authors: Kohara Akihiro , Hasegawa Tsukasa , Ashizawa Minoru , Hayashi Yoshihiro , Kawauchi Susumu , Masunaga Hiroyasu , Ohta Noboru , Matsumoto Hidetoshi
Published: July 2020

Novel quinoidal bisthienoisatin (QBTI) derivatives end‐capped with phenyl and thienyl groups were designed and synthesized. Single‐crystal X‐ray structure analysis of phenyl group flanked QBTI molecule confirmed that the quinoidal structure contributed to the high planarity of the molecular skeleton and the construction of one‐dimensional stacks. The quinoidal form of bisthienoisatin derivatives displayed ambipolar carrier transport properties with mobilities of approximately 10−4 cm2 V−1 s−1. Different flanking aromatic rings considerably affected the thin‐film microstructure and hence the charge carrier transport properties of the material. The QBTI‐based narrow energy gap polymers were theoretically designed and synthesized. Delocalized quinoidal resonance of QBTI unit along the polymer backbone is of particular importance to achieve relatively high conductive state (10−3 S cm−1). We demonstrate that QBTI cores should be promising building blocks for constructing narrow energy gap semiconducting and conductive polymers.
Iterative reanalysis approximation‐assisted moving morphable component‐based topology optimization method
Authors: Mo Kangjia , Guo Daozhen , Wang Hu
Published: July 2020

An Iterative Reanalysis Approximation‐ (IRA) assisted Moving Morphable Components‐ (MMCs) based topology optimization is developed (IRA‐MMC) in this study. Compared with other classical topology optimization methods, Finite Element‐based solver is replaced with the suggested IRA. In this way, the expensive computational cost can be significantly saved by several nested iterations. In the suggested algorithm, a hybrid optimizer based on Method of Moving Asymptotes approach and Globally Convergent version of Method of Moving Asymptotes is suggested to improve convergence ratio and avoid local optimum. Finally, the proposed approach is evaluated by some classical benchmark problems in topology optimization. The results show significant time saving without compromising accuracy.
A literature review of survey instruments used to measure staff‐to‐resident elder abuse in residential care settings
Authors: Malmedal Wenche , Kilvik Astrid , Steinsheim Gunn , Botngård Anja
Published: July 2020

Aim

To review the literature of existing survey instruments used to measure the occurrence of staff‐to‐resident elder abuse in residential care settings.

Methods

A comprehensive literature search during May 2017 produced 2,037 records. Two authors independently reviewed these records for inclusion, where a total of 17 studies met eligibility criteria. Descriptive information of all identified survey instruments is provided.

Results

This literature review reveals a diversity of survey instruments used to measure staff‐to‐resident abuse in residential care settings. The survey instruments varied greatly, where most instruments were self‐developed by the authors and provided none or limited information on psychometric properties. Most studies were conducted in high‐income countries and many of them in the United States.
A survey of clinical competence of new nurses working in emergency department in Iran: A descriptive, cross‐sectional study
Authors: Vand Tamadoni Behjat , Shahbazi Shahla , Seyedrasooli Alehe , Gilani Neda , Gholizadeh Leila
Published: July 2020

Aims

This article reports on a study investigating the self‐assessed clinical competence of new nurses working in emergency departments.

Design

A quantitative approach using descriptive cross‐sectional survey design was employed.

Methods

The clinical competency of the participants was assessed using the Competency Inventory for Registered Nurse questionnaire, which contains the seven dimensions of clinical care, leadership, interpersonal relations, legal/ethical, professional development, teaching/coaching and critical thinking/research aptitude. Data from 115 new nurses employed in emergency departments of nine selected university hospitals in the northwest of Iran were collected by the Competency Inventory for Registered Nurse (CIRN) from December 2018–May 2019 and analysed.

Results

The mean clinical competency for the total scale was 155.7 (SD32.9), indicating a moderate competency. The most highly self‐rated competency was legal/ethical practice, and the least rated was critical thinking–research aptitude.
Teaching families to manage intake of candy in the home: Results from a feasibility study using multiphase optimization strategy (MOST)
Authors: Savage J. S. , Adams E. L. , Rollins B. Y. , Bleser J. A. , Marini M. E.
Published: July 2020

Background

Excess intake of desserts/sweets high in added sugars, such as candy, is linked with greater obesity risk. Parents often limit their childrens' intake of these sweet foods using controlling feeding practices, such as restriction; yet, restrictive feeding practices are counterproductive for childrens' self‐regulation of energy intake.

Objective

This study developed a family‐based behavioural intervention that taught parents alternatives to restrictive feeding practices and encouraged children to consume candy in moderation.

Methods

Using the multiphase optimization strategy (MOST), parent–child dyads (N = 37) were randomized into one of eight conditions that included a combination of intervention components delivered over 4 weeks: home supply, parent shared decision making, child mindfulness and child attention control strategies.

Results

Retention rate at follow‐up was high (95%). Among parents who received parent shared decision making, 86.4% reported the structured‐based candy routine they set with their child was easy to follow. Most children reported child mindfulness (95%) and attention control (89.5%) strategies were easy to play. Children recalled 4.1 ± 1.8 of the six mindfulness strategies and 2.7 ± 1.6 of the five attention control strategies at follow‐up. Eating in the absence of hunger tended to be lower for children who received parent shared decision making and child mindfulness components.

Conclusion

This intervention was feasible and well‐implemented in the home environment. Findings will inform future, larger interventions designed to test similar strategies on childrens; eating behaviours and self‐regulation.
Entrepreneurial orientation and the efficiency of SMEs: The role of government financial incentives in an emerging industry
Authors: Khattak Muhammad Sualeh , Shah Syed Zulfiqar Ali
Published: July 2020

This study examines the moderating role of government financial incentives on the relationship between each dimension of entrepreneurial orientation (i.e., innovativeness, proactiveness and risk‐taking) on the efficiency of SMEs. Data were collected through a structured questionnaire using a sample size of 260 SMEs operating in Pakistan, an emerging economy. The findings indicate that two dimensions of entrepreneurial orientation (i.e., innovativeness and proactiveness) have a significant positive impact on SMEs' efficiency but risk‐taking has an insignificant influence on the efficiency of SMEs. Furthermore, government financial incentives significantly strengthen the relationship of innovativeness and efficiency as well as between risk‐taking and efficiency. Surprisingly, the relationship between innovativeness and efficiency is not significantly tighter by government financial incentives in emerging SMEs. This study recommends that SMEs need to emphasize innovative and proactive entrepreneurial activities. This study also suggested that in particular, risk‐averse owners and managers should build strong ties with the government to access financial resources, so they will likely take the risk and invest enough capital in several projects. Moreover, our research advises the government to facilitate SMEs to boost the industrial growth that will result in high economic growth.
Testing bubbles formation at real‐time commodity prices
Authors: Yildirim Hakan
Published: July 2020

Price bubbles, which play an important role in financial crises, can be observed in various assets. Regardless of the type of asset or assets, the resulting price bubble can distort the balance in financial markets. In this case, it may turn into an economic crisis that potential leap into the real sector and the financial sector. Therefore, it is an important step to test in which assets the price bubbles occur and how long they are exposed to price bubbles. Previous experience indicates that the price bubbles that may occur in commodities that are important especially for the global companies producing and the households consuming the goods subject to production is an important process for the economy. In this study, 16 different real‐time commodity prices that are indexed in US Dollars and which contain metal, plant, meat and energy groups, are used to examine the existence of the price bubble in selected commodities. For commodity prices, 2015–2019 daily closing prices were used and sup augmented Dickey–Fuller test was applied. Consequently, the result of the findings affirms the existence of a price bubble for beef cattle and timber, while the price bubble for the other 14 commodities could not be ascertained. This shows that in the majority of real‐time commodities, price movements are driven by core values and are in line with the efficient market hypothesis.
Understanding sentiment of national park visitors from social media data
Authors: Hausmann Anna , Toivonen Tuuli , Fink Christoph , Heikinheimo Vuokko , Kulkarni Ritwik , Tenkanen Henrikki , Di Minin Enrico
Published: July 2020

National parks are key for conserving biodiversity and supporting people's well‐being. However, anthropogenic pressures challenge the existence of national parks and their conservation effectiveness. Therefore, it is crucial to assess how people perceive national parks in order to enhance socio‐political support for conservation.

User‐generated data shared by visitors on social media provide opportunities to understand how people perceive (e.g. preferences, feelings, opinions) national parks during nature‐based recreational experiences. In this study, we applied methods from automated natural language processing to assess visitors' sentiment when describing experiences in Instagram posts geolocated inside four national parks in South Africa.

We found that visitors' sentiment was positive, and mostly included emotions such as joy, anticipation, trust and surprise, with only a small occurrence of posts with negative feelings. Appreciation of nature, in association with a diverse set of other aspects, such as activities, geographical features and tourist attractions, was used to describe experiences related to nature, wilderness, travelling, holidays and adventures. The type of nature‐based experience described by visitors was park specific, revealing different profiles of parks providing wildlife or scenery experiences.

Findings support and highlight the societal role of national parks in providing visitors with opportunities to develop positive connections with nature. Social media data may be used to understand visitors' perceptions, and how the image of national parks is constructed by users in the virtual social environment. This may help inform management for promoting a high‐quality tourism experience, as well as conservation marketing aimed at fostering socio‐political support for national parks and their long‐term conservation effectiveness.

A freePlain Language Summarycan be found within the Supporting Information of this article.
The use of anakinra in the treatment of secondary hemophagocytic lymphohistiocytosis
Authors: Bami Sakshi , Vagrecha Anshul , Soberman Danielle , Badawi Mohamad , Cannone Daniel , Lipton Jeffrey M. , Cron Randy Q. , Levy Carolyn Fein
Published: July 2020

Background

Hemophagocytic lymphohistiocytosis (HLH) can be familial or secondary, which is often triggered by infection or malignancy. HLH therapy includes dexamethasone and etoposide. However, therapy is associated with significant morbidity and mortality. Anakinra, a recombinant interleukin‐1 receptor antagonist, has been reported to treat macrophage activation syndrome (MAS), rheumatic sHLH. We report our experience with anakinra to treat patients with nonrheumatic secondary HLH (sHLH).

Procedure

Six children were diagnosed with HLH from December 2014 to August 2016 and were treated with subcutaneous anakinra (6‐10 mg/kg/day divided over four doses) with or without dexamethasone (10 mg/m2/day). Therapy was either escalated or weaned based on clinical and laboratory response.

Results

Five of six patients were treated with anakinra and dexamethasone, and one with anakinra alone due to active cytomegalovirus (CMV) pneumonitis. The median age of diagnosis was 1.8 years (range 0.8‐14.9 years). No pathogenic mutations associated with HLH were identified, but three of six possessed genetic variants of unknown significance. Infectious triggers were identified for four patients and two patients had malignancies. The average treatment duration was 8 weeks with 3.5‐5.5 years of follow up. No patient needed escalation of therapy to include etoposide. All patients achieved remission. Anakinra was well tolerated without significant adverse effects.

Conclusion

Initial treatment with anakinra (with or without dexamethasone) is a feasible treatment alternative for patients with secondary HLH and may allow for avoidance of etoposide. We recommend early initiation of anakinra when HLH is suspected. A broader investigation of the use of anakinra as a first‐line agent for HLH is ongoing.
Artificial protein sequences enable recognition of vicinal and distant protein functional relationships
Authors: Kumar Gayatri , Srinivasan Narayanaswamy , Sandhya Sankaran
Published: July 2020

High divergence in protein sequences makes the detection of distant protein relationships through homology‐based approaches challenging. Grouping protein sequences into families, through similarities in either sequence or 3‐D structure, facilitates in the improved recognition of protein relationships. In addition, strategically designed protein‐like sequences have been shown to bridge distant structural domain families by serving as artificial linkers. In this study, we have augmented a search database of known protein domain families with such designed sequences, with the intention of providing functional clues to domain families of unknown structure. When assessed using representative query sequences from each family, we obtain a success rate of 94% in protein domain families of known structure. Further, we demonstrate that the augmented search space enabled fold recognition for 582 families with no structural information available a priori. Additionally, we were able to provide reliable functional relationships for 610 orphan families. We discuss the application of our method in predicting functional roles through select examples for DUF4922, DUF5131, and DUF5085. Our approach also detects new associations between families that were previously not known to be related, as demonstrated through new sub‐groups of the RNA polymerase domain among three distinct RNA viruses. Taken together, designed sequences‐augmented search databases direct the detection of meaningful relationships between distant protein families. In turn, they enable fold recognition and offer reliable pointers to potential functional sites that may be probed further through direct mutagenesis studies.
Crystal structure of a 123 amino acids dimerization domain of Drosophila Caprin
Authors: Zhu Jiang , Zhou Xia , Huang Xiaolan , Du Zhihua
Published: July 2020

Cytoplasmic activation/proliferation‐associated protein (Caprin) proteins assume diverse functions in many important biological processes, including synaptic plasticity, stress response, innate immune response, and cellular proliferation. The Caprin family members are characterized by the presence of a highly conserved homologous region (HR1) at the N‐terminus and arginine‐glycine‐rich (RGG) boxes at the C‐terminus. We had previously determined the crystal structures of human Caprin‐1 and Caprin‐2 fragments corresponding to the C‐terminal 2/3 of HR1. Both fragments adopt homodimeric structures. Based on sequence conservation, we speculated that all Caprin proteins should have similar homodimeric structures. Here we report the crystal structure of a fragment (residues 187‐309) of Drosophila melanogaster Caprin (dCaprin). The dCaprin fragment adopts an all α‐helical fold which self‐associates to form a homodimer. The overall dCaprin homodimeric structure is similar to the Caprin‐1 and Caprin‐2 homodimeric structures. Most of the amino acids residues mediating homodimerization in the three structures are conserved among all Caprin family members. These structural and sequence data suggest that homodimerization through a conserved dimerization domain is a common structural feature of the Caprin protein family. The dimeric structures may also be involved in interaction with Caprin partners. Dimer formation creates a V‐shape concave surface that may serve as a protein binding groove. The concave surfaces in Caprin‐1, Caprin‐2, and dCaprin should have different and specific binding partners due to the large difference in electrostatic potentials. We propose the existence of a multi‐functional domain in Caprin proteins, which not only mediate homodimerization but also involve in interaction with specific Caprin partners.
No relation between docetaxel administration route and high‐grade diarrhea incidence
Authors: Hendrikx Jeroen J. M. A. , Stuurman Frederik E. , Song Ji‐Ying , de Weger Vincent A. , Lagas Jurjen S. , Rosing Hilde , Beijnen Jos H. , Schinkel Alfred H. , Schellens Jan H. M. , Marchetti Serena
Published: July 2020

Oral administration of docetaxel in combination with the CYP3A4 inhibitor ritonavir is used in clinical trials to improve oral bioavailability of docetaxel. Diarrhea was the most commonly observed and dose‐limiting toxicity. This study combined preclinical and clinical data and investigated incidence, severity and cause of oral docetaxel‐induced diarrhea. In this study, incidence and severity of diarrhea in patients were compared to exposure to orally administered docetaxel. Intestinal toxicity after oral or intraperitoneal administration of docetaxel was further explored in mice lacking Cyp3a and mice lacking both Cyp3a and P‐glycoprotein. In patients, severity of diarrhea increased significantly with an increase in AUC and Cmax (P = .035 and P = .025, respectively), but not with an increase in the orally administered dose (P = .11). Furthermore, incidence of grade 3/4 diarrhea after oral docetaxel administration was similar as reported after intravenous docetaxel administration. Intestinal toxicity in mice was only observed at high systemic exposure to docetaxel and was similar after oral and intraperitoneal administration of docetaxel. In conclusion, our data show that the onset of severe diarrhea after oral administration of docetaxel in humans is similar after oral and intravenous administration of docetaxel and is caused by the concentration of docetaxel in the systemic blood circulation. Mouse experiments confirmed that intestinal toxicity is caused by a high systemic exposure and not by local intestinal exposure. Severe diarrhea in patients after oral docetaxel is reversible and is not related to the route of administration of docetaxel.
Fine needle insertion method for minimising deflection in lower abdomen: In vivo evaluation
Authors: Tsumura Ryosuke , Iordachita Iulian , Iwata Hiroyasu
Published: July 2020

Background

Fine needle insertion in the lower abdomen is difficult because of complex deflections and few image feedbacks. We aim to develop an approach for generating a straight insertion path by minimizing the needle deflection robustly based on a preoperative computer tomography (CT) image.

Method

This study presents two approaches: an insertion control strategy that performs both vibration and rotation‐assisted needle insertions and a preoperative insertion path planning for determining an optimal insertion path based on insertion angles at each tissue boundary. Those proposed approaches were evaluated through an in vivo experiment with a Landrace mini‐pig. We compered the following: (1) the deflection with and without the insertion control strategy in different 10 insertion paths and (2) the score calculated by the path planning and the actual deflection in the 10 insertion paths.

Results

The result shows that the deflection can be reduced significantly by applying the insertion control strategy in the optimal insertion path calculated by the path planning.

Conclusion

The proposed method can decrease fine needle deflections in the lower abdomen, which has the potential for accurate and safety procedures without real‐time CT imaging.
Perspective on human pluripotent stem cell-derived cardiomyocytes in heart disease modeling and repair
Authors: Li Qiang , Wang Jia , Wu Qiang , Cao Nan , Yang Huang-Tian
Published: July 2020

Heart diseases (HDs) are the leading cause of morbidity and mortality worldwide. Despite remarkable clinical progress made, current therapies cannot restore the lost myocardium, and the correlation of genotype to phenotype of many HDs is poorly modeled. In the past two decades, with the rapid developments of human pluripotent stem cell (hPSC) biology and technology that allow the efficient preparation of cardiomyocytes from individual patients, tremendous efforts have been made for using hPSC-derived cardiomyocytes in preclinical and clinical cardiac therapy as well as in dissection of HD mechanisms to develop new methods for disease prediction and treatment. However, their applications have been hampered by several obstacles. Here, we discuss recent advances, remaining challenges, and the potential solutions to advance this field.
True verification probabilities should not be used in estimating the area under receiver operating characteristic curve
Authors: Wu Yougui
Published: July 2020

In medical research, a two‐phase study is often used for the estimation of the area under the receiver operating characteristic curve (AUC) of a diagnostic test. However, such a design introduces verification bias. One of the methods to correct verification bias is inverse probability weighting (IPW). Since the probability a subject is selected into phase 2 of the study for disease verification is known, both true and estimated verification probabilities can be used to form an IPW estimator for AUC. In this article, we derive explicit variance formula for both IPW AUC estimators and show that the IPW AUC estimator using the true values of verification probabilities even when they are known are less efficient than its counterpart using the estimated values. Our simulation results show that the efficiency loss can be substantial especially when the variance of test result in disease population is small relative to its counterpart in nondiseased population.
Design of Hybrid Zeolitic Imidazolate Framework‐Derived Material with C–Mo–S Triatomic Coordination for Electrochemical Oxygen Reduction
Authors: Li Yang , Zuo Shouwei , Wu Xin , Li Qiaohong , Zhang Jing , Zhang Huabin , Zhang Jian
Published: July 2020

The emergence of Mo‐based hybrid zeolitic imidazolate frameworks (HZIFs) with MoO4 units brings substantial advantages to design and synthesize complex Mo‐based electrocatalyst that are not expected in their conventional synthesis path. Herein, as a newly proposed concept, a facile temperature‐induced on‐site conversion approach (TOCA) is developed to realize the transformation of MoO4 units to C‐Mo‐S triatomic coordination in hierarchical hollow architecture. The optimized hybrid (denoted as MoCSx1000) shows accelerating oxygen reduction reaction (ORR) kinetics and excellent stability, which are superior to the most reported Mo‐based catalysts. Extended X‐ray adsorption fine structure (EXAFS) analysis and computational studies reveal that the near‐range electronic steering at C‐Mo‐S triatomic‐coordinated nanointerface guarantees moderate ORR intermediates adsorption and thus is responsible for the boosted ORR activity. This work sheds light on exploring the intrinsic activity of catalysts by interfacial electronic steering.
Boiogito extract alters fecal bile acid profile in mice: Possible roles in changes in fecal and liver lipid levels
Authors: Chen Zhuoer , Watanabe Shiro , Nishidono Yuto , Tanaka Ken
Published: July 2020

Aim

Boiogito (BOT) extract is reported to improve hepatic lipid states in the experimental conditions of fatty liver. We hypothesize that the effects of BOT extract may involve alterations of hepatic and intestinal bile acids. The aim of this study is to examine whether BOT extract alters the levels of bile acids and lipids in the liver and feces using mice.

Methods

Mice were fed a diet with or without BOT extract for five weeks and feces and liver were harvested for the determination of bile acids, cholesterol and triacylglycerols (TAGs).

Results

BOT extract administration did not change the profile of hepatic bile acids but decreased the hydrophobicity and level of deoxycholic acid (DCA), a potent farnesoid X receptor (FXR) agonist, in fecal bile acids. BOT extract increased the fecal excretion of cholesterol but decreased that of non‐esterified fatty acids (NEFAs). BOT extract did not change the fecal excretion of TAGs. BOT extract decreased the levels of cholesteryl esters (CEs) and TAGs in the liver.

Conclusion

Our data suggest that BOT extract might increase fecal cholesterol excretion and decrease hepatic lipid levels by decreasing the hydrophobicity and level of an FXR agonist in intestinal bile acids.
Sudden cardiac death in athletes
Authors: Mannakkara Nilanka N , Sharma Sanjay
Published: July 2020

Exercise is generally a good thing. However, for some it holds hidden danger. The following review discusses the incidence and aetiology of sudden cardiac death (SCD) and measures to reduce the burden of SCD.
Effects of graphene derivatives on polyvinylidene fluoride membrane modification evaluated with XDLVO theory and quartz crystal microbalance with dissipation
Authors: Wang Qiaoying , Guo Yufei , Wang Zhiwei , Zhang Jie , Yao Jie , Jiang Lingyan , Wu Zhichao
Published: July 2020

In this study, the different graphene derivatives, graphene oxide (GO), carboxylic acid‐modified graphene (G‐COOH), and amine‐modified graphene (G‐NH2), were used to prepare polyvinylidene fluoride (PVDF) composite membranes. The membrane modification performance was evaluated using the extended Derjaguin–Landau–Verwey–Overbeek theory and quartz crystal microbalance dissipation monitoring. The results show that the addition of low‐dose GO and G‐NH2 can improve membrane surface porosity and permeability. The hydrophilicity and electron donor monopolarity of PVDF/GO composite membranes were enhanced by adding more than 0.024 wt% GO, thus improving its antifouling ability. In addition, the enhancement of hydrophilicity, free energy of cohesion, and antifouling ability of composite membrane modified with G‐COOH and G‐NH2 was more significant compared with that of GO with the same dosage, which implies the important role of functional group in additives. This study provides new insights for the blending modification of PVDF membranes by systematically comparing the addition of graphene derivatives with different functional groups.

Practitioner points

The comprehensive comparison of membrane modification with different graphene derivatives was investigated.

The enhancement of hydrophilicity and antifouling ability of membranes modified with G‐COOH and G‐NH2 was more significant than that of GO.

The free energy of cohesion of nanocomposite membrane was affected by the functional group of additives.

G‐NH2 composite membrane had the best comprehensive performance with great hydrophilicity, permeability, and antifouling performance.
Strategies for Effective Health Communication during the Coronavirus Pandemic and Future Emerging Infectious Disease Events
Authors: Vraga Emily K. , Jacobsen Kathryn H.
Published: July 2020

An emerging infectious disease event like the coronavirus (COVID‐19) pandemic demands careful communication of public health messages to diverse audiences. However, misinformation is easily generated and amplified when a rapidly evolving epidemiological situation is coupled with gaps in scientific knowledge about a novel pathogen. Groups involved in health policy research, advocacy, implementation, and enforcement must be aware of three key challenges as they develop and apply communication strategies during emergencies: (i) information overload, (ii) information uncertainty, and (iii) misinformation. These challenges can be countered by accurately communicating core messages to specific audiences, being transparent about the evidence base for recommendations and open about the likelihood that guidelines may change as scientific discoveries are made, and identifying which myths and conspiracy theories circulating on social media are so harmful that they must be directly countered. Data analytics can assist with the process of monitoring and evaluating the impact of organizational communications.
Hydrological Dynamics Assessment of Basin Upstream–Downstream Linkages Under Seasonal Climate Variability
Authors: Amoo Oseni Taiwo , Ojugbele Hammed Olabode , Abayomi Abdultaofeek , Singh Pushpendra Kumar
Published: July 2020

The impacts of climate change are already being felt, not only in terms of increase in temperature but also in respect of inadequate water availability. The Mkomazi River Basins (MRB) of the KwaZulu-Natal region, South Africa serves as major source of water and thus a mainstay of livelihood for millions of people living downstream. It is in this context that the study investigates water flows abstraction from headwaters to floodplains and how the water resources are been impacted by seasonal climate variability. Artificial Neural Network (ANN) pattern classifier was utilized for the seasonal classification and subsequence hydrological flow regime prediction between the upstream–downstream anomalies. The ANN input hydroclimatic data analysis results covering the period 2008–2015 provides a likelihood forecast of high, near-median, or low streamflow. The results show that monthly mean water yield range is 28.6–36.0 m3/s over the Basin with a coefficient of correlation (CC) values of 0.75 at the validation stage. The yearly flow regime exhibits considerable changes with different magnitudes and patterns of increase and decrease in the climatic variables. No doubt, added activities and processes such as land-use change and managerial policies in upstream areas affect the spatial and temporal distribution of available water resources to downstream regions. The study has evolved an artificial neuron system thinking from conjunctive streamflow prediction toward sustainable water allocation planning for medium- and long-term purposes.
Climate Change, Rural Livelihoods and Ecosystem Nexus: Forest Communities in Agro-ecological zones of Nigeria
Authors: Fadairo Olushola , Olajuyigbe Samuel , Osayomi Tolulope , Adelakun Olufolake , Olaniyan Olanrewaju , Olutegbe Siji , Adeleke Oluwaseun
Published: July 2020

A top-bottom approach where local problems are treated in isolation has proven ineffective in achieving sustainable development. The need for inclusive approaches to managing the demand for arable lands, forest resources, and the problems of resource exploitation and climate change calls for local understanding of these elements’ interrelationship. Understanding the interrelationships among climate change, agriculture, and the ecosystems in different agroecological zones in Nigeria was the purpose of this chapter. Deforestation and forest degradation analysis approach was utilized. One state and two forest communities from each of the rainforest, savannah, and mangrove agroecological zones were purposively focused in this chapter based on forest distribution and cover. Focus group discussions involving 252 male and female farmers using 30 years as reference were used to garner relevant information. Climate variation caused a slight modification in cropping schedules of farmers due to prolonged dry season, mainly in the savannah region. Farmers engaged in mixed farming and also cultivate more hardy crops like cassava in response to climate uncertainties. Especially in the mangrove and savannah, ecosystem components such as agriculture and population showed increasing trends over the years as forest cover reduces. Downward trend in charcoal production was limited to mangrove and rainforest zones as fishing and hunting becomes vulnerable livelihoods across the zones. The degree and progression of climate change effects on the ecosystem in Nigeria agroecological zones is largely comparable and have both desirable and adverse livelihood outcomes. Affordable insurance policy, credit, agri-inputs, favorable forest regulatory framework, and youth empowerment supports would enhance sustainable adjustment to climate change.
The coset construction for non-equilibrium systems
Authors: Landry Michael J.
Published: July 2020

Abstract

We propose a systematic coset construction of non-equilibrium effective field theories (EFTs) governing the long-distance and late-time dynamics of relativistic, finite-temperature condensed matter systems. Our non-equilibrium coset construction makes significant advances beyond more standard coset constructions in that it takes advantage of recently-developed techniques, which allow the formulation of non-equilibrium effective actions that account for quantum and thermal fluctuations as well as dissipation. Because these systems exist at finite temperature, the EFTs live on the closed-time-path of the Schwinger-Keldysh contour. Since the coset construction and the non-equilibrium effective actions may be unfamiliar to many readers, we include brief introductions to these topics in an effort to make this paper self-contained. To demonstrate the legitimacy of this coset construction, we successfully reproduce the known EFTs for fluids and superfluids at finite temperature. Then, to demonstrate its utility, we construct novel EFTs for solids, supersolids, and four phases of liquid crystals, all at finite temperature. We thereby combine the non-equilibrium effective action and the coset construction to create a powerful tool that can be used to study many-body systems out of thermal equilibrium.
Holographic renormalization group flows in two-dimensional gravity and AdS black holes
Authors: Suh Minwoo
Published: July 2020

Abstract

We look into the AdS black holes from two-dimensional gravity perspective. In this work, we extend the previous results of holographic renormalization group flows to dimensions two. By introducing a superpotential, we derive the flow equations in two-dimensional dilaton gravity. We also find a quantity which monotonically decreases along flows and give some comments on holographic c-theorem. As examples, we show that recently studied supersymmetric AdS black hole solutions generically dimensionally reduce to two-dimensional dilaton gravity, and obtain the flow equations for black hole solutions.
Sterile neutrino dark matter: impact of active-neutrino opacities
Authors: Bödeker Dietrich , Klaus Alexander
Published: July 2020

Abstract

The resonant production of keV sterile-neutrino dark matter mainly takes place during the QCD epoch of the early universe. It has been argued that it could be strongly affected by the opacities (or damping rates) of active neutrinos, which receive non-perturbative QCD-contributions. We find that for lepton asymmetries $$ {n}_{L_{\alpha }}/s $$

n

L
α

/
s
below 10−6 the opacities significantly affect the sterile-neutrino yield, but that for larger asymmetries, which are necessary for producing a significant fraction of the dark matter, the yield is insensitive to changes of the opacities. Thus non-perturbative QCD contributions to the opacities at temperatures around 160 MeV will not affect this dark matter scenario. We obtain larger sterile-neutrino yields than previous studies, and thus weaker lower limits on the active-sterile mixing angle from Big Bang Nucleosynthesis.
Does increased acetabular depth affect safe infra-acetabular screw placement in acetabular fracture fixation?
Authors: Bastian Johannes Dominik , Näf David Riccardo , Cullmann Jennifer Larissa , Keel Marius Johann , Giannoudis Peter V.
Published: July 2020

Background

Infra-acetabular screws enhance the fixation strength in acetabular fractures with separation of both columns. Placement without iatrogenic femoral head violation is challenging.

Purpose

To assess the impact of the acetabular configuration, the patients’ age and gender on safe infra-acetabulum screw insertion.

Methods

In 112 patients (69 females; mean age: 34 years, range 17–88; n = 200 hips), the lateral center–edge angle (LCE) was measured on radiographs. Using corresponding axial CT scans the residual distance from (the lateral border) of the screw to (the medial border of) the femoral head (“Screw-to-Femoral Head distance”; “RD_SFH”) was determined. Statistical analysis was carried out using linear regression, multiple linear regression and normal distribution estimation.

Results

The mean (range) LCE angle was 30° (7°–51°) and the mean (range) “RD_SFH” was 5 mm (1–14 mm). The linear regression model shows a significant linear relation between LCE and “RD_SFH” with a slope parameter of − 0.15 (p value < 0.0001), the Pearson correlation between LCE and “RD_SFH” is − 0.56 (CI [− 0.71, [− 0.40]). Age did not have a significant impact on the relation between LCE and “RD_SFH” (p value 0.85). Compared to male patients, in females, the intercept is 4.62 mm (p value 0.0005) less, the slope parameter is 0.09 (p value 0.029) larger.

Conclusion

The virtual possibility to place an infra-acetabular screw was given in all patients. An increasing depth of the acetabulum correlated with a decrease in residual distances. As hip joint cartilage thickness was not considered in measurements, intraoperative rule-out of screw mispositioning especially in deep acetabular sockets and females is still of utmost importance.
Tail indices for $$\mathbf{A}\mathbf{X}+\mathbf{B}$$ Recursion with Triangular Matrices
Authors: Matsui Muneya , Świątkowski Witold
Published: July 2020

We study multivariate stochastic recurrence equations (SREs) with triangular matrices. If coefficient matrices of SREs have strictly positive entries, the classical Kesten result says that the stationary solution is regularly varying and the tail indices are the same in all directions. This framework, however, is too restrictive for applications. In order to widen applicability of SREs, we consider SREs with triangular matrices and we prove that their stationary solutions are regularly varying with component-wise different tail exponents. Several applications to GARCH models are suggested.