bluuebunny/crossref_metadata_2025_split huggingface dataset:
Correlated Multinomial Data
Authors: Zhu Yiliang 
Published: May 2017

AbstractCorrelated multinomial data, including correlated binomial, arise from clustered sampling schemes such as grouped sampling or repeated measurements. Clustering‐induced correlation can be of interest in its own right but should be accounted for in analyses to avoid inprecise or inefficient inference. This article discusses common approaches to the treatment of correlated multinomial data and illustrates dose–response modeling via generalized estimating equations using an example from developmental toxicity experiment.
Astrostatistics
Authors: Hilbe Joseph M. 
Published: May 2017

Abstract
Astrostatistics may be defined as the statistical analysis of astronomical data. Although there were a few conferences and collaborations in astrostatistics during the 1990s, the scientific discipline of astrostatistics has only recently become recognized as being important to the future understanding of astronomical data, with the first astrostatistics committee being authorized within any astronomical or statistical organization in 2009. The first major website for the discipline, ASAIP, was initiated in 2012, the same year that the International Astrostatistics Association was formed. Astrostatistics has now become formally incorporated within the scope of the International Astronomical Union and is a recognized new branch of statistics. Given the huge amount of data being gathered by the new astronomical surveys, much of astrostatistics focuses on dealing with large data collected across the electromagnetic spectrum.
Minimal residual disease eradication with epigenetic therapy in core binding factor acute myeloid leukemia
Authors: Ragon Brittany Knick , Daver Naval , Garcia‐Manero Guillermo , Ravandi Farhad , Cortes Jorge , Kadia Tapan , Oran Betul , Ohanian Maro , Ferrajoli Alessandra , Pemmaraju Naveen , Kantarjian Hagop M. , Borthakur Gautam 
Published: May 2017

AbstractRecurrent translocations, t(8;21) or inv(16), in core binding factor acute myeloid leukemia (CBF‐AML) are amenable to monitoring for minimal residual disease (MRD) with reverse transcriptase polymerase chain reaction (RTPCR). Despite a favorable prognosis, disease relapse remains the single cause of treatment failure in CBF‐AML. Fusion products of these translocations recruit epigenetic silencing complexes resulting in hematopoietic maturation arrest. We hypothesized that maintenance therapy with hypomethylating agents (HMA), including decitabine (DAC) and azacitidine (AZA) after induction/consolidation, can be used for MRD elimination to ultimately prolong relapse free survival. Real‐time quantitative (RTPCR) trends were reviewed in 23 patients (median age 53 years) with CBF‐AML that received HMA therapy following induction/consolidation with fludarabine, cytarabine, and G‐CSF (FLAG) with low dose gemtuzumab or idarubicin (NCT00801489). Of the 23 patients evaluated, 17 had a detectable RTPCR at HMA initiation. Five patients had progressive disease and a notable increase in RTPCR values over 1‐2 cycles of HMA therapy. Twelve patients did not fail HMA and had a median RTPCR at HMA initiation of 0.06 (range, 0.01‐0.91). Unlike the HMA failure subset, 11 of these patients had a reduction in RTPCR after the first or second cycle of HMA. Our data suggests that CBF‐AML patients with low levels of RTPCR (between 0.01 and 0.05) at the conclusion of induction/consolidation chemotherapy benefit most from maintenance HMA, particularly those that have a reduction in the RTPCR within the first two cycles of HMA therapy.
Acute radiology rarely confirms sinus disease in suspected recurrent acute rhinosinusitis
Authors: Barham Henry P. , Zhang Alexander S. , Christensen Jenna M. , Sacks Raymond , Harvey Richard J. 
Published: May 2017

BackgroundEpisodic or recurrent sinonasal symptoms are often suspected as “sinus” in origin. With normal sinus radiology between events, the diagnosis of recurrent acute rhinosinusitis (RecARS) is made. However, other conditions can produce episodic symptoms. In this study we analyze acutely performed computed tomography (CT) in a population with suspected or self‐diagnosed “sinus” disease.MethodsPatients referred to a tertiary clinic for suspected RecARS were assessed. Sinus changes were defined by CT (initial assessment) and during the acute event, by a semiurgent CT performed during the symptomatic episode. Mucosal thickening, ostiomeatal compromise, and severe septal deformity were recorded. Symptom profile was assessed during both time‐points with the 22‐item Sino‐Nasal Outcome Test (SNOT‐22).ResultsForty‐eight patients (49.5 ± 14.7 years of age, 70.8% female) were assessed. At presentation, 75% were resolute in a diagnosis of “sinus.” Baseline Lund‐Mackay scores were <6 (median 0 [interquartile range 1]). Ostiomeatal compromise was 6.8% left and 4.5% right at baseline. Of the patients who returned for acute CT (n = 27), SNOT‐22 and subdomains were similar to baseline. Septal deviation was similar (13.6% vs 15.3%). Acutely, ostiomeatal compromise was 0% left and 7.4% right (n = 2). Of these 2 patients with ostiomeatal compromise, 1 was diagnosed with RecARS (4%) and the other with triptan‐responsive migraine, with incidental sinus changes. Final diagnosis was rhinitis (47%), headache/migraine (37%), and facial pain otherwise undefined (12.5%).ConclusionPatients with a history of "recurrent acute sinusitis" and normal CT scans between episodes rarely have abnormal CT findings during acute exacerbations of symptoms. Antibiotics and surgical intervention are often inappropriate in this population.
Oxidative‐Insertion Reactivity Across a Geometrically Constrained Metal→Borane Interaction
Authors: Barnett Brandon R. , Neville Michael L. , Moore Curtis E. , Rheingold Arnold L. , Figueroa Joshua S. 
Published: May 2017

AbstractWhile interest in cooperative reactivity of transition metals and Lewis acids is receiving significant attention, the scope of known reactions that directly exploit the polarized reverse‐dative σ‐bond of metal‐borane complexes (i.e., M→BR3) remains limited. Described herein is that the platinum (boryl)iminomethane (BIM) complex [Pt(κ2‐N,B‐Cy2BIM)(CNArDipp2)] can effect the oxidative insertion of a range of unsaturated organic substrates, including azides, isocyantes, and nitriles, as well as CO2 and elemental sulfur (S8). In addition, alkyl migration processes available to the BIM framework allow for post‐insertion reaction sequences resulting in product release from the metal center.
Enzyme‐Inspired Chiral Secondary‐Phosphine‐Oxide Ligand with Dual Noncovalent Interactions for Asymmetric Hydrogenation
Authors: Chen Caiyou , Zhang Zhefan , Jin Shicheng , Fan Xiangru , Geng Mingyu , Zhou Yan , Wen Songwei , Wang Xinrui , Chung Lung Wa , Dong Xiu‐Qin , Zhang Xumu 
Published: May 2017

AbstractInspired by the unique character of enzymes, we developed novel chiral SPO (secondary‐phosphine‐oxide) ligand (SPO‐Wudaphos) which can enter into both ion pair and H‐bond noncovalent interactions. The novel chiral SPO‐Wudaphos exhibited excellent results in the asymmetric hydrogenation of α‐methylene‐γ‐keto carboxylic acids, affording the chiral γ‐keto acids with up to over 99 % ee. A series of control experiments and DFT calculations were conducted to illustrate the critical roles of both the ion pair and H‐bond noncovalent interactions.
Capturing the Role of Explicit Solvent in the Dimerization of RuV(bda) Water Oxidation Catalysts
Authors: Zhan Shaoqi , Mårtensson Daniel , Purg Miha , Kamerlin Shina C. L. , Ahlquist Mårten S. G. 
Published: May 2017

AbstractA ground‐breaking empirical valence bond study for a soluble transition‐metal complex is presented. The full reaction of catalyst monomers approaching and reacting in the RuV oxidation state were studied. Analysis of the solvation shell in the reactant and along the reaction coordinate revealed that the oxo itself is hydrophobic, which adds a significant driving force to form the dimer. The effect of the solvent on the reaction between the prereactive dimer and the product was small. The solvent seems to lower the barrier for the isoquinoline (isoq) complex while it is increased for pyridines. By comparing the reaction in the gas phase and solution, the proposed π‐stacking interaction of the isoq ligands is found to be entirely driven by the water medium.
Biomimetic Total Synthesis of (±)‐Homodimericin A
Authors: Ma Donghui , Liu Yangbin , Wang Zhang 
Published: May 2017

AbstractA biomimetic total synthesis of racemic homodimericin A was achieved in seven steps, including two cascade reactions. Aqueous buffer solutions are found to help both the oxidative dimerization cascade and the intramolecular Diels–Alder cascade. This synthetic sequence validates key steps in the biogenetic proposal of homodimericin A.
Strong Short‐Range Cooperativity in Hydrogen‐Bond Chains
Authors: Dominelli‐Whiteley Nicholas , Brown James J. , Muchowska Kamila B. , Mati Ioulia K. , Adam Catherine , Hubbard Thomas A. , Elmi Alex , Brown Alisdair J. , Bell Ian A. W. , Cockroft Scott L. 
Published: May 2017

AbstractChains of hydrogen bonds such as those found in water and proteins are often presumed to be more stable than the sum of the individual H bonds. However, the energetics of cooperativity are complicated by solvent effects and the dynamics of intermolecular interactions, meaning that information on cooperativity typically is derived from theory or indirect structural data. Herein, we present direct measurements of energetic cooperativity in an experimental system in which the geometry and the number of H bonds in a chain were systematically controlled. Strikingly, we found that adding a second H‐bond donor to form a chain can almost double the strength of the terminal H bond, while further extensions have little effect. The experimental observations add weight to computations which have suggested that strong, but short‐range cooperative effects may occur in H‐bond chains.
Engineering a Small HOMO–LUMO Gap and Intramolecular C−H Borylation by Diborene/Anthracene Orbital Intercalation
Authors: Wang Sunewang R. , Arrowsmith Merle , Böhnke Julian , Braunschweig Holger , Dellermann Theresa , Dewhurst Rian D. , Kelch Hauke , Krummenacher Ivo , Mattock James D. , Müssig Jonas H. , Thiess Torsten , Vargas Alfredo , Zhang Jiji 
Published: May 2017

AbstractThe diborene 1 was synthesized by reduction of a mixture of 1,2‐di‐9‐anthryl‐1,2‐dibromodiborane(4) (6) and trimethylphosphine with potassium graphite. The X‐ray structure of 1 shows the two anthryl rings to be parallel and their π(C14) systems perpendicular to the diborene π(B=B) system. This twisted conformation allows for intercalation of the relatively high‐lying π(B=B) orbital and the low‐lying π* orbital of the anthryl moiety with no significant conjugation, resulting in a small HOMO–LUMO gap (HLG) and ultimately a C−H borylation of the anthryl unit. The HLG of 1 was estimated to be 1.57 eV from the onset of the long wavelength band in its UV/Vis absorption spectrum (THF, λonset=788 nm). The oxidation of 1 with elemental selenium afforded diboraselenirane 8 in quantitative yield. By oxidative abstraction of one phosphine ligand by another equivalent of elemental selenium, the B−B and C1−H bonds of 8 were cleaved to give the cyclic 1,9‐diborylanthracene 9.
Preparation and application of a multiwalled carbon nanotube composite monolithic column
Authors: Li X. Y. , Wang X. X. , Jiang X. Y. , Xu F. , Liu H. Y. , Bai L. G. , Yan H. Y. , Qiao X. Q. 
Published: May 2017

ABSTRACTA multiwalled carbon nanotube (MWCNT) composite monolithic column was prepared by the redox initiation method, and MWCNTs were embedded into the monolithic material. In this experiment, 1‐octene was used as monomer, triethylene glycol dimethacrylate was used as the crosslinking agent, propanol and 1‐dodecanol were used as porogens, hydroxyl‐functionalized MWCNTs were used as the inorganic material, and dibenzoyl peroxide and N,N‐dimethyl aniline were used as initiators. The MWCNT composite monolithic column was characterized by scanning electron microscopy, mercury intrusion porosimetry, and nitrogen adsorption–desorption isotherm measurements. The MWCNT composite monolith showed a uniform structure and a high permeability. The MWCNT composite monolithic column uses the high‐performance liquid chromatography to analyze the sample. Compared with the monolithic column without MWCNTs, the MWCNT composite monolith not only improved the column efficiency but also shortened the separation time. Six small molecules were successfully separated by the MWCNT composite monolith in 3 min, with the highest column efficiency reaching 36,000 plates/m In addition, the monolith was also used to separate complex protein samples, including snailase, plasma, and egg white. Therefore, the monolithic column was suitable both for the separation of macromolecules and small molecules. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45070.
Mechanism of MxOy nanoparticles/CNTs for catalytic carbonization of polyethylene and application to flame retardancy
Authors: Wenelska Karolina , Chen Xuecheng , Zielinska Beata , Kaleńczuk Ryszard J. , Chu Paul K. , Tang Tao , Mijowska Ewa 
Published: May 2017

ABSTRACTThree kinds of metal oxide nanoparticles (Fe3O4, Co3O4, and Ni2O3) are produced on carbon nanotubes (CNTs). The synergistic effects rendered by the CNTs and metal oxide nanoparticles on carbonization of polyethylene (PE) are studied and applications to flame retardancy of PE are investigated systematically. The CNT‐Ni2O3 delivers the best performance and the mechanism pertaining to the enhanced flame retardancy is proposed and discussed. It is found that under the same conditions, the carbonization rate can be a factor to influence the flame retardancy performance. Among Fe, Co, and Ni, Ni has the fastest carbonation rate, which leads to the best flame retardancy performance. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45233.
Lipid and hyperglycemia factors in first‐ever penetrating artery infarction, a comparison between different subtypes
Authors: Sun Shaoyang , Wang Yanqiang , Wang Yuge , Men Xuejiao , Bao Jian , Hu Xueqiang , Lu Zhengqi 
Published: May 2017

AbstractBackgroundThe pathogenesis and progression of branch atheromatous disease (BAD), which differs from lipohyalinotic degeneration (LD), remains controversial. Few studies have investigated the lipid indices and glycometabolism status factors for BAD in first‐ever penetrating artery infarction (PAI).MethodsWe retrospectively examined acute stroke patients with PAI admitted within 3 days after stroke. All patients underwent diffusion weight magnetic resonance imaging (DWI) and magnetic resonance angiography (MRA) and/or computed tomography angiography (CTA). Progression was defined as an increase by 2 point or higher in the National Institutes of Health Stroke Scale score. The characteristics, clinical data were statistically analyzed.ResultsBAD and LD were diagnosed in 142 (57%) and 107 (43%) patients, respectively. Patients with BAD had higher low‐density lipoprotein cholesterol (LDL‐C) compared with those with LD (p = .013). Elevated LDL‐C was related to early neurological deterioration in patients with BAD (p = .045). The percentage of lenticulostriate arterial (LSA) infarction was greater than that of the pontine penetrating arterial (PPA) infarction in acute PAI (75.1% vs. 24.9%; p < .001). PPA infarction was more prevalent in the BAD group compared with the LD group (34.5% vs. 12.1%, p < .001). The PPA infarction had older age at onset and higher HbA1c concentrations than those with the LSA infarction (p = .014, p = .036 respectively) in the BAD and LD patients, respectively.ConclusionLDL‐C may be associated with both the pathogenesis and progression of intracranial BAD. The LSA infarction was the most frequently subtypes in PAI. Age at onset and HbA1c seem to be closely associated with the PPA infarction of first‐ever PAI.
Reassessment of alkaline phosphatase as serum tumor marker with high specificity in osteosarcoma
Authors: Kim Seung Hyun , Shin Kyoo‐Ho , Moon Seong‐Hwan , Jang Jinyoung , Kim Hyo Song , Suh Jin‐Suck , Yang Woo‐Ick 
Published: May 2017

AbstractThe goal of this study was to reassess serum alkaline phosphatase (ALP) as tumor marker in osteosarcoma. We retrospectively examined serum ALP levels at diagnosis, every therapeutic step (neoadjuvant chemotherapy, surgery, and adjuvant chemotherapy), metastasis, and follow‐up and analyzed the role of ALP as tumor marker in 210 osteosarcomas. The diagnostic performances of ALP were validated with pathology‐proven 899 other primary bone lesions. Elevated ALP at diagnosis was associated with inferior overall survival (OS) (Log Rank P < 0.001) and disease‐free survival (Log Rank P = 0.005) and independently significant for OS in multivariate analysis (hazard ratio [HR]=2.12, P = 0.032). During therapy, the ALP level significantly changed according to therapeutic steps (P < 0.001 for patients ≥15 years old, P < 0.001 for patients <15 years old) and survival (P = 0.015 for ≥15 years, P = 0.002 for <15 years), and the response of ALP to therapy and survival were associated (P = 0.042 for ≥15 years, P = 0.036 for <15 years). Initial ALP level was linearly correlated with tumor burden (total tumor volume; P = 0.016 for ≥15 years, bone tumor volume; P = 0.012 for ≥15 years). The sensitivity and specificity of ALP on diagnosis were 53.2% (95% Confidence Interval [CI]: 0.475–0.586) and 90.1% (95% CI: 0.888–0.913). The sensitivity of ALP on metastasis was 53.2% (95% CI: 0.431–0.624), and the specificity was 78.2% (95% CI: 0.720–0.839) at15 months postoperative and 90.0% (95% CI: 0.824–0.952) at 3 years postoperative. Serum ALP was found to be a valuable tumor marker with high specificity in osteosarcoma.
Carbon Thin Film Wrapped around a Three‐Dimensional Nitrogen‐Doped Carbon Scaffold for Superior‐Performance Supercapacitors
Authors: Xu Lingling , Yin Dandan , Zhao Hongyang , Li Na , Chen Suhua , Xia Jiale , Lu Bingan , Du Yaping 
Published: May 2017

AbstractA carbon thin film/carbon foam core/sheath structure was synthesized by chemical vapor deposition (CVD) on carbonized melamine foam. It has a specific capacitance of 310 F g−1at a current density of 1 A g−1and shows outstanding electrochemical performance in both aqueous and water‐in‐salt electrolytes. Electrochemical analysis by cyclic voltammetry and galvanostatic charge/discharge testing revealed a large capacitive contribution up to more than 90 % of its total capacitance. The core/sheath structure has advantages in ion transport and a high degree of utilization of the electrode surface, and the synthetic process provides a way to coat carbon thin film on any substrate by nickel‐catalyzed CVD.
Dehydroacetic Acid Derivatives Bearing Amide or Urea Moieties as Effective Anion Receptors
Authors: Bregović Nikola , Cindro Nikola , Bertoša Branimir , Barišić Dajana , Frkanec Leo , Užarević Krunoslav , Tomišić Vladislav 
Published: May 2017

AbstractDerivatives of dehydroacetic acid comprising amide or urea subunits have been synthesized and their anion‐binding properties investigated. Among a series of halides and oxyanions, the studied compounds selectively bind acetate and dihydrogen phosphate in acetonitrile and dimethyl sulfoxide. The corresponding complexation processes were characterized by means of 1H NMR titrations, which revealed a 1:1 complex stoichiometry in most cases, with the exception of dihydrogen phosphate, which formed 2:1 (anion/ligand) complexes in acetonitrile. The complex stability constants were determined and are discussed with respect to the structural properties of the receptors, the hydrogen‐bond‐forming potential of the anions, and the characteristics of the solvents used. Based on the spectroscopic data and results of Monte Carlo simulations, the amide or urea groups were affirmed as the primary binding sites in all cases. The results of the computational methods indicate that an array of both inter‐ and intramolecular hydrogen bonds can form in the studied systems, and these were shown to play an important role in defining the overall stability of the complexes. Solubility measurements were carried out in both solvents and the thermodynamics of transfer from acetonitrile to dimethyl sulfoxide were characterized on a quantitative level. This has afforded a detailed insight into the impact of the medium on the complexation reactions.
Phase inversion of a solid‐stabilized emulsion: Effect of particle concentration
Authors: Wan Bing , Fradette Louis 
Published: May 2017

AbstractTiny water droplets in oil emulsions are commonly encountered in the petroleum industry. The high viscosity of the oil hampers the physical separation of the water droplets from the oil.1 Phase inversion could be a potential workaround for this problem by making water, a much less viscous phase, the continuous medium. In the present work, we focused on triggering phase inversion of a solid‐stabilized emulsion. We induced a catastrophic phase inversion by the continuous addition of a dispersed phase. The evolution of droplet morphology during the phase inversion process was observed and was measured in‐line using a particle vision microscope, which proved to be a powerful tool for monitoring this rapid, unstable process. A linear relationship between the droplet size and the dispersed phase volume fraction before the phase inversion was observed, indicating that a higher dispersed phase volume fraction was needed for the phase inversion to occur with higher particle concentrations. The phase inversion conditions were applied in a regime where the particles were insufficient to fully cover the interface. Our findings indicated that the number of particles per surface area appears to be a crucial parameter in triggering phase inversion, regardless of the particle concentration. The phase inversion mechanism of our solid‐stabilized emulsion can be explained by the relationship between the initial particle coverage of the interface and the coalescence rate of the system.