bluuebunny/crossref_metadata_2025_split huggingface dataset:
Assessing convection permitting resolutions of WRF for the purpose of water resource impact assessment and vulnerability work: A southeast Australian case study
Authors: Ekström Marie , Gilleland Eric 
Published: December 2016

AbstractConvective permitting simulations are increasingly pursued for providing physically more credible climate projections of rainfall. Their value is likely to be greater for regions where increased resolution not only resolves physical processes better, but also the topographic features of the target domain. Here, we assess the skill of convective permitting simulations to simulate rainfall for water resource assessment work in a climate change context for southeast Australia. Output on 2 and 10 km grid‐length resolution from a 5‐year regional climate model simulation is assessed for skill in simulating mean seasonal climatologies for days with low or high observed rainfall intensities. Comparison is conducted on spatial grids and for 25 catchments across the study region. No significant difference in skill was found in the loss differential when using absolute error for spatial fields of mean climatologies. Measures focusing on spatial similarity and accuracy in position of high rainfall areas indicate somewhat better skill in the 2 km simulation with regard to positioning (in autumn and winter), and with regard to spatial variability (in autumn and spring). Significant difference in skill was shown when comparing the simulated data sets on a catchment basis; seasonally 5–7 catchments in favor of the 10 km output and somewhat less for the 2 km output (3–6 catchments). When using correlation skill as the test measure, results are overwhelmingly in favor of the 2 km output. We cautiously suggest that results may be overly pessimistic for the 2 km simulation because of inadequate representation of rainfall in high altitude areas in observations.
Performance of the Patient‐Reported Outcomes Measurement Information System 29‐Item Profile in Rheumatoid Arthritis, Osteoarthritis, Fibromyalgia, and Systemic Lupus Erythematosus
Authors: Katz Patricia , Pedro Sofia , Michaud Kaleb 
Published: December 2016

ObjectiveThe Patient‐Reported Outcomes Measurement Information System (PROMIS) was developed to improve measurement of patient‐reported outcomes. We examined performance of the 29‐item PROMIS Profile (PROMIS‐29) in persons with rheumatoid arthritis (RA), osteoarthritis (OA), fibromyalgia (FM), and systemic lupus erythematosus (SLE).MethodsParticipants in the National Data Bank for Rheumatic Diseases completed the PROMIS‐29, which includes 4‐item forms for 7 PROMIS domains. Scales were scored and converted to T scores. Distributions of scale scores were examined, convergent and known‐groups validity was tested, and differences in scores from online versus paper questionnaires were examined.ResultsSample sizes were 4,346 for RA, 727 for OA, 241 for FM, and 240 for SLE. Participants were predominantly female, with a mean disease duration ≥20 years, and were ages ∼60 years. Large ceiling effects occurred for some PROMIS‐29 scales. Correlations of PROMIS‐29 scores with scales measuring similar constructs ranged from high to moderate for RA, OA, and SLE; correlations for FM were markedly lower for some scales. Consistent patterns of worsening PROMIS‐29 scores with increasing disease severity or declining health status were observed. Differences in scores obtained by online versus paper questionnaires ranged from 0.3 to 2.2 points.ConclusionResults provide guarded support for using the PROMIS‐29 in these conditions. The PROMIS‐29 4‐item static forms appear to identify differences among levels of health and to measure constructs similar to those measured by legacy questionnaires. However, large ceiling effects suggest that measurement may be more precise at the “bad” ends of the scales, which may limit responsiveness, and differences by mode of administration appear to exist.
Copper‐Catalyzed Remote C−H Amination of Quinolines with N‐Fluorobenzenesulfonimide
Authors: Yin Yao , Xie Jian , Huang Feng‐Qing , Qi Lian‐Wen , Zhang Bo 
Published: December 2016

AbstractA copper‐catalyzed remote C−H amination of 8‐aminoquinoline scaffolds on the C5 position is described. The protocol employs commercially available N‐fluorobenzenesulfonimide (NFSI) as the amination reagent and shows broad substrate scope, providing various 5‐aminated quinolines in moderate to excellent yields under mild conditions. These reactions feature complete regioselectivity, operational simplicity, and high efficiency.magnified image
Amide Acetal in Palladium‐Catalyzed Allylation with Allylic Alcohols under Neutral Conditions
Authors: Kwon Yongseok , Jung Jaehyun , Kim Jae Hyun , Kim Woo‐Jung , Kim Sanghee 
Published: December 2016

AbstractA mild and efficient palladium‐catalyzed allylation reaction with allylic alcohols is described. The in situ activation of the allylic alcohol is achieved by using N,N‐dimethylacetamide dimethyl acetal and a simple palladium catalyst (i.e., Pd(PPh3)4). The reaction system does not require acid or base additives or specially designed ligands. In addition to carbon nucleophiles, nitrogen and oxygen nucleophiles can also be used with the allylic alcohol in this transformation.
Translating Thermal Response of Triblock Copolymer Assemblies in Dilute Solution to Macroscopic Gelation and Phase Separation
Authors: Sun Zhe , Tian Ye , Hom Wendy L. , Gang Oleg , Bhatia Surita R. , Grubbs Robert B. 
Published: December 2016

AbstractThe thermal response of semi‐dilute solutions (5 w/w%) of two amphiphilic thermoresponsive poly(ethylene oxide)‐b‐poly(N,N‐diethylacrylamide)‐b‐poly(N,N‐dibutylacrylamide) (PEO45‐PDEAmx‐PDBAm12) triblock copolymers, which differ only in the size of the central responsive block, in water was examined. Aqueous PEO45‐PDEAm41‐PDBAm12 solutions, which undergo a thermally induced sphere‐to‐worm transition in dilute solution, were found to reversibly form soft (G′≈10 Pa) free‐standing physical gels after 10 min at 55 °C. PEO45‐PDEAm89‐PDBAm12 copolymer solutions, which undergo a thermally induced transition from spheres to large compound micelles (LCM) in dilute solution, underwent phase separation after heating at 55 °C for 10 min owing to sedimentation of LCMs. The reversibility of LCM formation was investigated as a non‐specific method for removal of a water‐soluble dye from aqueous solution. The composition and size of the central responsive block in these polymers dictate the microscopic and macroscopic response of the polymer solutions as well as the rates of transition between assemblies.
Mechanism‐Based Fluorogenic trans‐Cyclooctene–Tetrazine Cycloaddition
Authors: Vázquez Arcadio , Dzijak Rastislav , Dračínský Martin , Rampmaier Robert , Siegl Sebastian J. , Vrabel Milan 
Published: December 2016

AbstractThe development of fluorogenic reactions which lead to the formation of fluorescent products from two nonfluorescent starting materials is highly desirable, but challenging. Reported herein is a new concept of fluorescent product formation upon the inverse electron‐demand Diels–Alder reaction of 1,2,4,5‐tetrazines with particular trans‐cyclooctene (TCO) isomers. In sharp contrast to known fluorogenic reagents the presented chemistry leads to the rapid formation of unprecedented fluorescent 1,4‐dihydropyridazines so that the fluorophore is built directly upon the chemical reaction. Attachment of an extra fluorophore moiety is therefore not needed. The photochemical properties of the resulting dyes can be easily tuned by changing the substitution pattern of the starting 1,2,4,5‐tetrazine. We support the claim with NMR measurements and rationalize the data by computational study. Cell‐labeling experiments were performed to demonstrate the potential of the fluorogenic reaction for bioimaging.
Water Dynamics from THz Spectroscopy Reveal the Locus of a Liquid–Liquid Binodal Limit in Aqueous CaCO3 Solutions
Authors: Sebastiani Federico , Wolf Stefan L. P. , Born Benjamin , Luong Trung Quan , Cölfen Helmut , Gebauer Denis , Havenith Martina 
Published: December 2016

AbstractMany phenomena depend on CaCO3 nucleation where the role of water remains enigmatic. Changes in THz absorption during the early stages of CaCO3 nucleation evidence altered coupled motions of hydrated calcium and carbonate ions. The direct link between these changes and the continuous development of the ion activity product reveals the locus of a liquid–liquid binodal limit. The data strongly suggest that proto‐structured amorphous CaCO3 forms through solidification of initially liquid precursors. Furthermore, polycarboxylates, which stabilize liquid precursors of CaCO3, significantly enhance the kinetic stability of the metastable liquid–liquid state, but they do not affect the locus of the binodal limit. The importance of water network dynamics in phase separation mechanisms can be understood based on the notions of the pre‐nucleation cluster pathway, and is likely to be more general for aqueous systems.
Umpolung Addition of Aldehydes to Aryl Imines
Authors: Chen Ning , Dai Xi‐Jie , Wang Haining , Li Chao‐Jun 
Published: December 2016

AbstractOne of the classical ways to synthesize amines involves the coupling of carbonyl compounds and imines, either through enolate chemistry or acyl‐based carbanion equivalents. We herein report an alternative strategy that is based on the use of aldehydes as alkyl carbanion equivalents in a reductive coupling with aryl imines. A wide array of secondary amines can be synthesized in moderate to high yields. This reaction is mediated by hydrazine and catalyzed by ruthenium(II) complexes, and it tolerates various functional groups, such as esters, amides, and nitriles.
Temporal Trends of Venous Thromboembolism Risk Before and After Diagnosis of Giant Cell Arteritis
Authors: Unizony Sebastian , Lu Na , Tomasson Gunnar , Zhang Yuqing , Merkel Peter A. , Stone John H. , Antonio Aviña‐Zubieta J. , Choi Hyon K. 
Published: December 2016

ObjectiveGiant cell arteritis (GCA) and the use of glucocorticoids have both been associated with increased risk of venous thromboembolism (VTE). However, the possibility of confounding by indication has not been investigated. We undertook this study to examine the temporal risk of VTE in GCA patients before and after GCA diagnosis, accounting for confounders including glucocorticoid treatment.MethodsWe conducted a matched cohort study using an electronic medical record database representative of the UK population (1990–2013). We calculated age‐, sex‐, and entry time–matched and multivariate relative risks (RRs) of VTE, comparing 6,441 patients with new‐onset GCA (defined by corresponding diagnosis codes and prescribed glucocorticoid treatment) to 63,985 controls before and after GCA diagnosis. Analysis before GCA diagnosis was stratified by oral glucocorticoid use to account for confounding.ResultsThere were 27 incident VTE events during the 12 months preceding GCA diagnosis and 195 afterward. Compared to controls, during the 12, 9, 6, and 3 months preceding GCA diagnosis, the age‐, sex‐, and entry time–matched RRs for VTE among patients with imminent GCA not treated with glucocorticoids were 1.8, 2.2, 2.4, and 3.6, respectively. In the first 3, 6, 12, 24, 48, and 96 months after GCA diagnosis, the corresponding RRs were 9.9, 7.7, 5.9, 4.4, 3.3, and 2.4. Multivariate analyses including several common VTE risk factors showed similar trends.ConclusionThe risk of VTE increases shortly before GCA diagnosis, peaks at the time of diagnosis, and then progressively declines thereafter. This risk is apparent in patients with imminent GCA unexposed to oral glucocorticoids, suggesting a role for inflammation‐associated thrombosis that is independent of glucocorticoid use.
Effect of Continuous B Cell Depletion With Rituximab on Pathogenic Autoantibodies and Total IgG Levels in Antineutrophil Cytoplasmic Antibody–Associated Vasculitis
Authors: Cortazar Frank B. , Pendergraft William F. , Wenger Julia , Owens Charles T. , Laliberte Karen , Niles John L. 
Published: December 2016

ObjectiveTo evaluate the effect of rituximab on pathogenic autoantibodies and total Ig levels, and to identify serious adverse events in patients with antineutrophil cytoplasmic antibody (ANCA)–associated vasculitis (AAV) treated with continuous B cell depletion.MethodsWe conducted a retrospective analysis of 239 patients with AAV treated with rituximab‐induced continuous B cell depletion. Two treatment cohorts were analyzed: an induction group (n = 52) and a maintenance group (n = 237). Changes in ANCA titers and total Ig levels over time were evaluated using mixed‐effects models. Risk factors for serious infections during maintenance treatment were evaluated using Poisson regression.ResultsDuring induction, IgG levels fell at a mean rate of 6% per month (95% confidence interval [95% CI] 4, 8%), while ANCA levels declined at a mean rate of 47% per month (95% CI 42, 52%) and 48% per month (95% CI 42, 54%) for patients with antimyeloperoxidase (anti‐MPO) antibodies and those with anti–proteinase 3 (anti‐PR3) antibodies, respectively. During maintenance treatment, with a median duration of 2.4 years (interquartile range 1.5, 4.0 years), IgG levels declined a mean of 0.6% per year (95% CI −0.2, 1.4%). New significant hypogammaglobulinemia (IgG level of <400 mg/dl) during maintenance treatment occurred in 4.6% of the patients, all of whom were in the lowest baseline IgG quartile. Serious infections during maintenance therapy occurred at a rate of 0.85 per 10 patient‐years (95% CI 0.66, 1.1) and were independently associated with an IgG level of <400 mg/dl.ConclusionB cell–targeted therapy causes a preferential decline in ANCA titers relative to total IgG levels. Despite prolonged maintenance therapy with rituximab, IgG levels remain essentially constant. Serious infections were rare.
Brief Report: Functional Interaction of Endoplasmic Reticulum Aminopeptidase 2 and HLA–B27 Activates the Unfolded Protein Response
Authors: Zhang Zhenbo , Ciccia Francesco , Zeng Fanxing , Guggino Giuliana , Yee Kirby , Abdullah Hasan , Silverberg Mark S. , Alessandro Riccardo , Triolo Giovanni , Haroon Nigil 
Published: December 2016

ObjectiveThe basic mechanisms underlying the pathogenesis of ankylosing spondylitis (AS) remain unresolved. We previously reported an association of the single‐nucleotide polymorphism (SNP) rs2549782 in the endoplasmic reticulum aminopeptidase 2 gene (ERAP2) with AS. It is known that patients homozygous for the G allele (GG) of another ERAP2 SNP, rs2248374, lack expression of ERAP2 (ERAP2 null). The present study utilized this information to study the impact of ERAP2 deficiency on HLA–B27 expression in patients with AS, specifically focusing on the functional interaction of ERAP2 and HLA–B27 in peripheral blood mononuclear cells (PBMCs) from patients with AS and assessing the effects in vitro in specific cell lines.MethodsExpression of intact peptide HLA–B27 (pB27) or the major histocompatibility complex class I free heavy chains (FHCs) was assessed in PBMCs isolated from HLA–B27–positive patients with AS. ERAP2‐suppressed, stable B27–expressing C1R cells (C1R‐B27) were tested for the expression levels of pB27 and FHCs, as well as for markers of the unfolded protein response (UPR). Distribution of the ERAP2 SNPs rs2549782 and rs2248374 in patients with AS and in patients with Crohn's disease was assessed.ResultsPBMCs from AS patients lacking ERAP2 expressed higher levels of FHCs than did PBMCs from patients positive for ERAP2. This finding was replicated in C1R‐B27 cells after suppression of ERAP2. In addition, ERAP2 suppression led to increased levels of the UPR markers BiP, CCAAT/enhancer binding protein homologous protein 10, and X‐box binding protein 1 [spliced] as compared to that in short hairpin RNA–treated control cells. There was strong linkage disequilibrium in the ERAP2 locus. All patients with the rs2549782 T allele (which reportedly increases the function of the ERAP‐2 protein) were homozygous for the G allele of rs2248374, leading to absence of ERAP2.ConclusionERAP2 deficiency causes increased FHC expression and up‐regulation of the UPR pathway.
Effects of Baricitinib on Lipid, Apolipoprotein, and Lipoprotein Particle Profiles in a Phase IIb Study of Patients With Active Rheumatoid Arthritis
Authors: Kremer Joel M. , Genovese Mark C. , Keystone Edward , Taylor Peter C. , Zuckerman Steven H. , Ruotolo Giacomo , Schlichting Douglas E. , Crotzer Victoria L. , Nantz Eric , Beattie Scott D. , Macias William L. 
Published: December 2016

ObjectiveTo assess the effects of baricitinib on lipid profiles in patients with moderate‐to‐severe rheumatoid arthritis.MethodsTreatment with once‐daily doses of baricitinib (1, 2, 4, or 8 mg) or placebo was studied in 301 randomized patients. Changes in lipid profile and lipoprotein particle size and particle number were assessed at weeks 12 and 24, and associations with clinical efficacy were evaluated. Apolipoproteins were assessed at weeks 4 and 12 in the placebo group and the 4‐mg and 8‐mg baricitinib groups.ResultsTreatment with baricitinib resulted in dose‐dependent increases in serum lipid levels from baseline to week 12 (low‐density lipoprotein [LDL] cholesterol increases of 3.4 mg/dl and 11.8 mg/dl in the 1 mg and 8 mg treatment groups, respectively; high‐density lipoprotein [HDL] cholesterol increases of 3.3 mg/dl and 8.1 mg/dl, respectively; triglycerides increases of 6.4 mg/dl and 15.4 mg/dl, respectively). Group‐wise mean increases in LDL cholesterol were coincident with mean increases in large LDL particles and mean reductions in small dense LDL particles. Increases from baseline to week 12 in apolipoprotein A‐I, apolipoprotein B, and apolipoprotein CIII were observed with 4‐mg doses of baricitinib (9.5%, 6.8%, and 23.0%, respectively) and with 8‐mg doses (12.2%, 7.1%, and 19.7%, respectively), with no increase in LDL‐associated apolipoprotein CIII (–4.5% with 4‐mg baricitinib; –9.0% with 8‐mg baricitinib). Baricitinib reduced HDL‐associated serum amyloid A when administered at 4 mg (−36.0%) and 8 mg (−32.0%); a significant reduction in lipoprotein (a) was observed only with 8‐mg doses (−16.6%). Increased HDL cholesterol at week 12 correlated with improved Disease Activity Scores and Simplified Disease Activity Index; changes in total cholesterol, LDL cholesterol, and triglycerides did not reveal a similar relationship.ConclusionBaricitinib‐associated increases in serum lipid levels were observed in this study. Increases in levels of HDL cholesterol correlated with improved clinical outcomes.
Carbonyl‐Grafted g‐C3N4 Porous Nanosheets for Efficient Photocatalytic Hydrogen Evolution
Authors: Su Feng‐Yun , Zhang Wei‐De 
Published: December 2016

AbstractCarbonyl‐grafted g‐C3N4 porous nanosheets (COCNPNS) were fabricated by means of a two‐step thermal process using melamine and oxalic acid as starting reagents. The combination of melamine with oxalic acid to form a melamine–oxalic acid supramolecule as a precursor is key to synthesizing carbonyl‐grafted g‐C3N4. The bulk carbonyl‐grafted g‐C3N4 (COCN) was further thermally etched onto porous nanosheets by O2 under air. In such a process, the carbonyl groups were partly removed and the obtained sample showed remarkably enhanced visible‐light harvesting and promoted the separation and transfer of photogenerated electrons and holes. With its unique porous structure and enhanced light‐harvesting capability, under visible‐light illumination (λ>420 nm) the prepared COCNPNS exhibited a superior photocatalytic hydrogen evolution rate of 83.6 μmol h−1, which is 26 times that of the p‐CN obtained directly from thermal polycondensation of melamine.
Exome sequencing provides additional evidence for the involvement of ARHGAP29 in Mendelian orofacial clefting and extends the phenotypic spectrum to isolated cleft palate
Authors: Liu Huan , Busch Tamara , Eliason Steven , Anand Deepti , Bullard Steven , Gowans Lord J.J , Nidey Nichole , Petrin Aline , Augustine‐Akpan Eno‐Abasi , Saadi Irfan , Dunnwald Martine , Lachke Salil A. , Zhu Ying , Adeyemo Adebowale , Amendt Brad , Roscioli Tony , Cornell Robert , Murray Jeffrey , Butali Azeez 
Published: December 2016

BackgroundRecent advances in genomics methodologies, in particular the availability of next‐generation sequencing approaches have made it possible to identify risk loci throughout the genome, in particular the exome. In the current study, we present findings from an exome study conducted in five affected individuals of a multiplex family with cleft palate only.MethodsThe GEnome MINIng (GEMINI) pipeline was used to functionally annotate the single nucleotide polymorphisms, insertions and deletions. Filtering methods were applied to identify variants that are clinically relevant and present in affected individuals at minor allele frequencies (≤1%) in the 1000 Genomes Project single nucleotide polymorphism database, Exome Aggregation Consortium, and Exome Variant Server databases. The bioinformatics tool Systems Tool for Craniofacial Expression‐Based Gene Discovery was used to prioritize cleft candidates in our list of variants, and Sanger sequencing was used to validate the presence of identified variants in affected and unaffected relatives.ResultsOur analyses approach narrowed the candidates down to the novel missense variant in ARHGAP29 (GenBank: NM_004815.3, NP_004806.3;c.1654T>C [p.Ser552Pro]. A functional assay in zebrafish embryos showed that the encoded protein lacks the activity possessed by its wild‐type counterpart, and migration assays revealed that keratinocytes transfected with wild‐type ARHGAP29 migrated faster than counterparts transfected with the p.Ser552Pro ARHGAP29 variant or empty vector (control).ConclusionThese findings reveal ARHGAP29 to be a regulatory protein essential for proper development of the face, identifies an amino acid that is key for this, and provides a potential new diagnostic tool.Birth Defects Research 109:27–37, 2017. © 2016 Wiley Periodicals, Inc.
Enhancing the luminescence of Eu3+/Eu2+ ion‐doped hydroxyapatite by fluoridation and thermal annealing
Authors: Van Hoang Nhu , Tam Phuong Dinh , Kien Nguyen Duc Trung , Huy Pham Thanh , Pham Vuong‐Hung 
Published: December 2016

AbstractThis paper reports a novel way for the synthesis of a europium (Eu)‐doped fluor‐hydroxyapatite (FHA) nanostructure to control the luminescence of hydroxyapatite nanophosphor, particularly, by applying optimum fluorine concentrations, annealed temperatures and pH value. The Eu‐doped FHA was made using the co‐precipitation method followed by thermal annealing in air and reducing in a H2 atmosphere to control the visible light emission center of the nanophosphors. The intensities of the OH− group decreased with the increasing fluorine concentrations. For the specimens annealed in air, the light emission center of the nanophosphor was 615 nm, which was emission from the Eu3+ ion. However, when they were annealed in reduced gas (Ar + 5% H2), a 448 nm light emission center from the Eu2+ ion of FHA was observed. The presence of fluorine in Eu‐doped FHA resulted in a significant enhancement of nanophosphor luminescence, which has potential application in light emission and nanomedicine.