bluuebunny/crossref_metadata_2025_split huggingface dataset:
A phase 3 study evaluating the safety and efficacy of a pediatric dose of mometasone furoate with and without formoterol for persistent asthma
Authors: Weinstein Cindy L. J. , Gates Davis , Zhang Xiaoli , Varnell Tracey , Mok Wilson , Vermeulen Jan H. , Amar Niran J. , Jain Neal 
Published: February 2020

AbstractObjectivesAsthma affects over 6 million children in the United States alone. This study investigated the efficacy and long‐term safety of mometasone furoate‐formoterol (MF/F) and MF monotherapy in children with asthma.Materials and MethodsThis phase 3, multicenter, randomized controlled trial evaluated metered‐dose inhaler twice daily (BID) dosing with MF/F 100/10 µg or MF 100 µg in children, aged 5 to 11 years, with a history of asthma for greater than or equal to 6 months and confirmed bronchodilator reversibility, who were adequately controlled on inhaled corticosteroid/long‐acting beta‐agonist combination therapy for greater than or equal to 4 weeks. After a 2‐week run‐in on MF 100 µg BID, eligible patients received 24 weeks of double‐blind treatment and were followed for safety up to 26 weeks. The primary efficacy endpoint was the change from baseline in AM postdose 60‐minute AUC %predicted FEV1% across 12 weeks of treatment.ResultsA total of 181 participants received at least one dose of MF/F (n = 91) or MF (n = 90). MF/F was superior to MF across the 12‐week evaluation period, with a treatment advantage of 5.21 percentage points (P < .001). Superior onset of action with MF/F over MF was achieved as early as 5 minutes postdose on day 1. Overall, approximately 50% of participants experienced one or more treatment‐emergent adverse events, with fewer occurring in the MF/F group.ConclusionsIn children 5 to 11 years of age with persistent asthma, the addition of F to MF was well tolerated and provided significant, rapid, and sustained improvement in lung function compared with MF alone.
Antibody response against Pseudomonas aeruginosa and its relationship with immune mediators in the upper and lower airways of cystic fibrosis patients
Authors: Mauch Renan M. , Hentschel Julia , Aanaes Kasper , Barucha Anton , Nolasco da Silva Marcos T. , Levy Carlos E. , Høiby Niels , Mainz Jochen G. 
Published: February 2020

AbstractBackgroundThe upper airways (UAW) are a niche and a reservoir of Pseudomonas aeruginosa strains that cause chronic infection of the lower airways (LAW) in cystic fibrosis (CF). Here, we assessed the role of anti‐P. aeruginosa immunoglobulin A (IgA) and IgG antibodies in upper and lower airway infections in cystic fibrosis patients.MethodsNasal lavage fluid and induced sputum samples of 40 CF patients were microbiologically cultured. We searched for correlations between anti‐P. aeruginosa IgA and IgG levels, measured by enzyme‐linked immunosorbent assay (optical density), and unspecific immune mediators in both specimens.ResultsAnti‐P. aeruginosa IgA (median optical density: 0.953 vs 0.298) and IgG (0.120 vs 0.059) were significantly higher in nasal lavage than in sputum, but not significantly different between patients with and without chronic P. aeruginosa infection in UAW. Matrix metallopeptidase‐9 (MMP‐9) in nasal lavage and neutrophil elastase (NE) in sputum were predictors of IgA in nasal lavage and IgA in sputum, respectively. IgA was a predictor of myeloperoxidase (MPO) in nasal lavage. Tissue inhibitor of metalloproteinases‐1 (TIMP‐1) was a predictor of IgG in sputum. IgG, TIMP‐1, and NE in sputum were predictors of IgG in nasal lavage.ConclusionThe anti‐P. aeruginosa IgA response was more prominent in CF patients' UAW, indicating a lower degree of inflammatory responses. Proteases may play a role in the anti‐P. aeruginosa humoral response in the upper and LAW, and anti‐P. aeruginosa IgG may be involved in the crosstalk between upper and lower airways in cystic fibrosis patients.
Synthesis and Properties of 3,6‐Dinitropyrazolo[4,3‐c]‐pyrazole (DNPP) Derivatives
Authors: Zhang Wenquan , Xia Honglei , Yu Rujing , Zhang Jiaheng , Wang Kangcai , Zhang Qinghua 
Published: February 2020

AbstractA series of novel fused‐ring pyrazolo[4,3‐c]pyrazole derivatives featuring N‐dinitromethyl and N‐fluorodinitromethyl energetic groups (compounds 3–7) were synthesized using a nine‐step reaction. All these compounds were characterized using multinuclear nuclear magnetic resonance (NMR) spectroscopy, infra‐red (IR) spectroscopy, and elemental analysis. X‐ray diffraction analysis was performed, and the single‐crystal structures of compounds 3, 4, 6, and 7 were obtained. For these newly prepared energetic materials, the thermal stability was determined using differential scanning calorimetry (DSC), while the sensitivities were evaluated using BAM drop hammer and friction test. The calculated heat of formation values and the measured densities were used to determine the detonation parameters, including detonation velocity and pressure, using the EXPLO5 program. Of all the prepared compounds, dipotassium 1,4‐bis(dinitromethyl)‐3,6‐dinitro‐1,4‐dihydropyrazolo[4,3‐c]pyrazole (3) was crystallized as a three‐dimensional energetic metal‐organic framework (MOF) and showed outstanding detonation performances, which even outperformed the traditional primary explosive lead azide. Compound 7 exhibited a high crystal density of 1.939 g cm−3, the high decomposition temperature of 213 °C and desirable impact and friction sensitivities (IS: 12 J; FS: 240 N). These combined properties and performances make these novel fused‐ring energetic compounds suitable candidates for high‐performance energetic materials.
Bacterial secretins: Mechanisms of assembly and membrane targeting
Authors: Silva Yuri Rafael de Oliveira , Contreras‐Martel Carlos , Macheboeuf Pauline , Dessen Andréa 
Published: February 2020

AbstractSecretion systems are employed by bacteria to transport macromolecules across membranes without compromising their integrities. Processes including virulence, colonization, and motility are highly dependent on the secretion of effector molecules toward the immediate cellular environment, and in some cases, into the host cytoplasm. In Type II and Type III secretion systems, as well as in Type IV pili, homomultimeric complexes known as secretins form large pores in the outer bacterial membrane, and the localization and assembly of such 1 MDa molecules often relies on pilotins or accessory proteins. Significant progress has been made toward understanding details of interactions between secretins and their partner proteins using approaches ranging from bacterial genetics to cryo electron microscopy. This review provides an overview of the mode of action of pilotins and accessory proteins for T2SS, T3SS, and T4PS secretins, highlighting recent near‐atomic resolution cryo‐EM secretin complex structures and underlining the importance of these interactions for secretin functionality.
What men want: Qualitative analysis of what men with prostate cancer (PCa) want to learn regarding genetic referral, counseling, and testing
Authors: Greenberg Samantha , Slager Stacey , Neil Brock O' , Cooney Kathleen , Maughan Benjamin , Stopa Nicole , Venne Vickie , Zickmund Susan , Colonna Sarah 
Published: February 2020

AbstractBackgroundGuidelines have changed recently to include genetic counseling (GC) and/or genetic testing (GT) for all men with aggressive prostate cancer (PCa). This study aimed to identify what information men with PCa desire before and from GC.MethodsFocus groups were conducted with men who have PCa. Audio recordings were analyzed for themes related to GT, the information they desired from health care providers, and implications for family members.ResultsThirty‐seven men with PCa participated in seven focus groups. Nearly all men felt GT was beneficial and impactful for their family and themselves. Most men were unaware of the risks to female relatives associated with hereditary cancer. Participants discussed that genetics should be incorporated at an appropriate time of their diagnostic journey.ConclusionThis study showed that men valued GC and GT for personal and familial implications, and often did not associate PCa genetics with risk for female relatives to develop cancer. Consideration should be given to the GC timing in regard to where men are in their treatment process. Providers referring patients can leverage patient motivations and utilize their relationship with the patient to determine the appropriate timing and personalize discussion with the patient regarding GC and GT.
Selected ion flow tube mass spectrometry analyses of isobaric compounds methanol and hydrazine in humid air
Authors: Shestivska Violetta , Kolivoška Viliam , Kubišta Jiří , Smith David , Španěl Patrik 
Published: February 2020

RationaleThe volatile compounds generated by the electrochemical reduction of atmospheric carbon dioxide and nitrogen include isobaric methanol (CH3OH) and, potentially, hydrazine (N2H4). To achieve quantification of hydrazine molecules by selected ion flow tube mass spectrometry (SIFT‐MS), its reactions with H3O+, NO+ and O2+ reagent ions must be understood.MethodsA SIFT study (using a SIFT‐MS instrument) was carried out to obtain rate coefficients and product ions for the reactions of H3O+, NO+ and O2+ reagent ions with N2H4 and CH3OH molecules present in the humid headspace of their aqueous solutions. Using the kinetics data obtained, solution headspace concentrations were determined for both compounds as a function of their liquid‐phase concentrations at 10, 20 and 35°C.ResultsBoth compounds react with H3O+ ions via rapid proton transfer to produce CH3OH2+ and H5N2+ ions with the common m/z value of 33. It is revealed that NO+ rapidly transfers charge to N2H4 (rate coefficient k = 2.3 × 10−9 cm3 s−1) but only slowly associates with CH3OH (k2eff = 7.1 × 10−11 cm3 s−1). Thus, selective analysis can be achieved using both H3O+ and NO+ reagent ions. The headspace methanol vapour concentration was found to increase with increasing solution temperature, but that of hydrazine decreased with an associated increase of ammonia (NH3) as measured with O2+ reagent ions.ConclusionsThe isobaric compounds methanol and hydrazine can be separately analysed in real time by SIFT‐MS using H3O+ and NO+ reagent ions, even when they co‐occur in humid air. The evolution of hydrazine from aqueous solutions can be quantitatively monitored together with its decomposition at elevated temperatures.
Evaluating a learning progression for the solar system: Progress along gravity and dynamical properties dimensions
Authors: Plummer Julia D. , Palma Christopher , Rubin KeriAnn , Flarend Alice , Ong Yann Shiou , Ghent Chrysta , Gleason Timothy , McDonald Scott , Botzer Brandon , Furman Tanya 
Published: February 2020

AbstractWe previously proposed a hypothetical learning progression around the disciplinary core idea of the Solar System and its formation as a first step in a research program to begin to fill this gap and address questions of student learning in this domain. In this study, we evaluate the effectiveness of two dimensions within the learning progression, dynamical properties and gravity, in describing change in how student reason in the domain across the course of their 14‐week astronomy unit. A sample of sixth‐grade students (N = 24) were interviewed before and after instruction. We compared changes in how students explained the dynamic properties of planets and the role of gravity in the Solar System to their experiences during instruction. Our findings provide evidence for the usefulness of this learning progression in describing how students' explanations may progress, offer insight into how instruction may support that progress, and highlight the challenges in drawing conclusions on how students' explanations may progress when limitations are identified in instructional experiences. We also discuss the connection between these two construct maps but also point out what appears to be a missing element in our original definition of the learning progression: inertia.
The repair and autophagy mechanisms of hypoxia-regulated bFGF-modified primary embryonic neural stem cells in spinal cord injury
Authors: Zhu Sipin , Chen Min , Deng Liancheng , Zhang Jinjing , Ni Wenfei , Wang Xiangyang , Yao Felix , Li Xiaokun , Xu Huazi , Xu Jiake , Xiao Jian 
Published: February 2020

AbstractThere is no effective strategy for the treatment of spinal cord injury (SCI), a devastating condition characterized by severe hypoxia and ischemic insults. In this study, we investigated the histology and pathophysiology of the SCI milieu in a rat model and found that areas of hypoxia were unevenly interspersed in compressed SCI. With this new knowledge, we generated embryonic neural stem cells (NSCs) expressing basic fibroblast growth factor (bFGF) under the regulation of five hypoxia-responsive elements (5HRE) using a lentiviral vector (LV-5HRE-bFGF-NSCs) to specifically target these hypoxic loci. SCI models treated with bFGF expressed by the LV-5HRE-bFGF-NSCs viral vector demonstrated improved recovery, increased neuronal survival, and inhibited autophagy in spinal cord lesions in the rat model due to the reversal of hypoxic conditions at day 42 after injury. Furthermore, improved functional restoration of SCI with neuron regeneration was achieved in vivo, accompanied by glial scar inhibition and the evidence of axon regeneration across the scar boundary. This is the first study to illustrate the presence of hypoxic clusters throughout the injury site of compressed SCI and the first to show that the transplantation of LV-5HRE-bFGF-NSCs to target this hypoxic microenvironment enhanced the recovery of neurological function after SCI in rats; LV-5HRE-bFGF-NSCs may therefore be a good candidate to evaluate cellular SCI therapy in humans.Significance statement The present study shows that application of hypoxia-regulated basic fibroblast growth factor modified primary embryonic neural stem cells to specifically target the hypoxic loci resulted in a reversal of the hypoxic microenvironment after spinal cord injury (SCI), concomitant with decreased cellular autophagy, reduced CNS glial scar formation, and improved locomotor function in in vivo studies. The results of the present study increase the current understanding of the pathophysiology of SCI and may be used to combat the ischemic microenvironment that can induce cell death and limit cell transplantation approaches to promote spinal cord regeneration.
Facile One‐pot Synthesis of Arylsulfonyl‐4H‐pyrans Catalyzed by Ru Loaded Fluorapatite
Authors: Maddila Surya N , Maddila Suresh , Kerru Nagaraju , Bhaskaruni Sandeep V. H. S. , Jonnalagadda Sreekantha B 
Published: February 2020

AbstractWe report a novel ecofriendly cascade reaction for the synthesis of arylsulfonyl‐4H‐pyran derivatives by a three component fusion reaction of chosen aldehyde, dimedone and phenylsulphonyl acetonitrile at room temperature using ruthenia doped fluorapatite (RuO2/FAp) as recyclable catalyst. Different percentages of RuO2/FAp materials were prepared and characterized by FT‐IR, P‐XRD, BET, SEM‐EDX and TEM analysis. Attractive features of the synthetic approach are operational simplicity, cost‐effectiveness, short reaction time and excellent yields. Easily recoverable and reusable catalyst material without any deceptive loss of catalytic activity up to seven cycles is additional benefit.
Synthesis and Characterization of Host Guest Inclusion Complexation of Cyclic Oligosaccharide with Industrially Potent Dye in Different Phases by Physicochemical Contrivance
Authors: Yasmin Ananya , Barman Biraj Kumar , Roy Niloy , Roy Mahendra Nath 
Published: February 2020

AbstractThe inclusion phenomena of β‐Cyclodextrin and Alizarin complexone was investigated by 1H NMR, 2D ROESY, UV‐Visible Spectroscopy, Fluorescence Spectroscopy, HRMS and SEM study. The change in chemical shift values in 1H NMR study established the possibility of interactions between the corresponding protons of β‐ Cyclodextrin and AC molecule, which was further confirmed by the appearance of cross peaks in 2D ROESY spectrum. The Job plot method gave the host‐guest stoitiometric ratio to be 1 : 1. The association constant and thermodynamic parameters like ΔH0, ΔS0 and ΔG0 were calculated from UV‐Visible spectroscopy. The experimental results showed, the fluorescence intensity of AC enhanced with increasing concentration of β‐ Cyclodextrin. The plot of 1/(F‐F0) against 1/[β‐ Cyclodextrin] gave a straight line indicating 1 : 1 stoichiometric ratio of the inclusion complex formed. In this inclusion process, the ΔG<0 value describes the process to be a spontaneous one.
Freestanding SnS Carbon Composite Nanofiber Material with Excellent Electrochemical Performance as Binder‐Free Negative Electrode for Lithium‐ion Batteries
Authors: Qi Yufeng , Liu Jifei , Dai Jianfeng , Shi Xiangyu , Zhu Xiaojun , Fu Bi , Dong Haiying , Zhao Wengao 
Published: February 2020

AbstractMetal sulfide demonstrated sluggish ionic transport kinetics due to the low electronic conductively, resulting larger volume expansion and even pulverize electrode during Li+ insertion/deinsertion. In this study, freestanding SnS nanoflower@carbon nanofiber (SnS@CNF) was prepared by the sol‐gel electrospinning of hydrothermal synthesized SnS2 nanoflower and carbonization. When direct used SnS@CNF as a binder‐free negative electrode for LIB, it delivered specific capacity of 564.4 mAh g−1@0.3 C after 450 cycles, and high rate capacities of 595, 465, 354, 267, 200, 129, 74, and 484 mAh g−1 at the current densities of 0.064, 0.1, 0.3, 0.6, 1.0, 1.5, 2.0, and 0.1 mA g−1, respectively. Such excellent electrochemical performance is attributed to the nanostructured conductive CNF network not only can buffer volume expansion and prevents the aggregation of active material, but also improve Li+ migration rates during the discharge (4.47×10−7 cm2 s−1) and charge (2.73×10−6 cm2 s−1) process.
Atomically Dispersed Single Ni Site Catalysts for Nitrogen Reduction toward Electrochemical Ammonia Synthesis Using N2 and H2O
Authors: Mukherjee Shreya , Yang Xiaoxuan , Shan Weitao , Samarakoon Widitha , Karakalos Stavros , Cullen David A. , More Karren , Wang Maoyu , Feng Zhenxing , Wang Guofeng , Wu Gang 
Published: February 2020

AbstractAmmonia (NH3) electrosynthesis gains significant attention as NH3 is essentially important for fertilizer production and fuel utilization. However, electrochemical nitrogen reduction reaction (NRR) remains a great challenge because of low activity and poor selectivity. Herein, a new class of atomically dispersed Ni site electrocatalyst is reported, which exhibits the optimal NH3 yield of 115 µg cm−2 h−1 at –0.8 V versus reversible hydrogen electrode (RHE) under neutral conditions. High faradic efficiency of 21 ± 1.9% is achieved at ‐0.2 V versus RHE under alkaline conditions, although the ammonia yield is lower. The Ni sites are stabilized with nitrogen, which is verified by advanced X‐ray absorption spectroscopy and electron microscopy. Density functional theory calculations provide insightful understanding on the possible structure of active sites, relevant reaction pathways, and confirm that the Ni‐N3 sites are responsible for the experimentally observed activity and selectivity. Extensive controls strongly suggest that the atomically dispersed NiN3 site‐rich catalyst provides more intrinsically active sites than those in N‐doped carbon, instead of possible environmental contamination. This work further indicates that single‐metal site catalysts with optimal nitrogen coordination is very promising for NRR and indeed improves the scaling relationship of transition metals.
Model‐based hypothesis testing of uncertain software systems
Authors: Camilli Matteo , Gargantini Angelo , Scandurra Patrizia 
Published: February 2020

SummaryNowadays, there exists an increasing demand for reliable software systems able to fulfill their requirements in different operational environments and to cope with uncertainty that can be introduced both at design‐time and at runtime because of the lack of control over third‐party system components and complex interactions among software, hardware infrastructures and physical phenomena. This article addresses the problem of the discrepancy between measured data at runtime and the design‐time formal specification by using aninverse uncertainty quantificationapproach. Namely, we introduce a methodology calledMETRICand its supporting toolchain to quantify and mitigate software system uncertainty during testing by combining (on‐the‐fly)model‐based testingandBayesian inference. Our approach connects probabilistic input/output conformance theory with statistical hypothesis testing in order to assess if the behaviour of the system under test corresponds to its probabilistic formal specification provided in terms of aMarkov decision process. An uncertainty‐aware model‐based test case generation strategy is used as a means to collect evidence from software components affected by sources of uncertainty. Test results serve as input to a Bayesian inference process that updates beliefs on model parameters encoding uncertain quality attributes of the system under test. This article describes our approach from both theoretical and practical perspectives. An extensive empirical evaluation activity has been conducted in order to assess the cost‐effectiveness of our approach. We show that, under same effort constraints, our uncertainty‐aware testing strategy increases the accuracy of the uncertainty quantification process up to 50 times with respect to traditional model‐based testing methods.
Thermochemistry Prediction and Automatic Reaction Mechanism Generation for Oxygenated Sulfur Systems: A Case Study of Dimethyl Sulfide Oxidation
Authors: Gillis Ryan J. , Green William H. 
Published: February 2020

AbstractAutomatic mechanism generation is a powerful approach to understanding complex chemical mechanisms. Here we describe the expansion of an open source mechanism creating software, the Reaction Mechanism Generator or RMG, to oxygenated sulfur systems. This principally involved the expansion of thermochemistry estimation techniques for higher valence oxygenated sulfur molecules. As a demonstration of this new tool, we present an automatically generated mechanism describing the oxidation of dimethyl sulfide. This mechanism is then compared to several experimental studies of dimethyl sulfide oxidation. This case study provides insight into the transformation of sulfur species in the atmosphere, especially the formation pathways of sulfoxides, sulfones, and sulfur dioxide. However, the applications of the newly enhanced mechanism generation tool extend far beyond this single system with obvious use in understanding a variety of atmospheric, petrochemical, and other industrial chemistries.
Random projections: Data perturbation for classification problems
Authors: Cannings Timothy I. 
Published: February 2020

AbstractRandom projections offer an appealing and flexible approach to a wide range of large‐scale statistical problems. They are particularly useful in high‐dimensional settings, where we have many covariates recorded for each observation. In classification problems, there are two general techniques using random projections. The first involves many projections in an ensemble—the idea here is to aggregate the results after applying different random projections, with the aim of achieving superior statistical accuracy. The second class of methods include hashing and sketching techniques, which are straightforward ways to reduce the complexity of a problem, perhaps therefore with a huge computational saving, while approximately preserving the statistical efficiency.This article is categorized under:

Statistical Learning and Exploratory Methods of the Data Sciences > Clustering and Classification
Statistical and Graphical Methods of Data Analysis > Analysis of High Dimensional Data
Statistical Models > Classification Models