bluuebunny/crossref_metadata_2025_split huggingface dataset:
Association Between Genetic Variation in FOXO3 and Reductions in Inflammation and Disease Activity in Inflammatory Polyarthritis
Authors: Viatte Sebastien , Lee James C. , Fu Bo , Espéli Marion , Lunt Mark , De Wolf Jack N. E. , Wheeler Lily , Reynolds John A. , Castelino Madhura , Symmons Deborah P. M. , Lyons Paul A. , Barton Anne , Smith Kenneth G. C. 
Published: May 2016

ObjectiveGenetic variation in FOXO3 (tagged by rs12212067) has been associated with a milder course of rheumatoid arthritis (RA) and shown to limit monocyte‐driven inflammation through a transforming growth factor β1–dependent pathway. This genetic association, however, has not been consistently observed in other RA cohorts. We sought to clarify the contribution of FOXO3 to prognosis in RA by combining detailed analysis of nonradiographic disease severity measures with an in vivo model of arthritis.MethodsCollagen‐induced arthritis, the most commonly used mouse model of RA, was used to assess how Foxo3 contributes to arthritis severity. Using clinical, serologic, and biochemical methods, the arthritis that developed in mice carrying a loss‐of‐function mutation in Foxo3 was compared with that which occurred in littermate controls. The association of rs12212067 with nonradiographic measures of RA severity, including the C‐reactive protein level, the swollen joint count, the tender joint count, the Disease Activity Score in 28 joints, and the Health Assessment Questionnaire score, were modeled longitudinally in a large prospective cohort of patients with early RA.ResultsLoss of Foxo3 function resulted in more severe arthritis in vivo (both clinically and histologically) and was associated with higher titers of anticollagen antibodies and interleukin‐6 in the blood. Similarly, rs12212067 (a single‐nucleotide polymorphism that increases FOXO3 transcription) was associated with reduced inflammation, both biochemically and clinically, and with lower RA activity scores.ConclusionConsistent with its known role in restraining inflammatory responses, FOXO3 limits the severity of in vivo arthritis and, through genetic variation that increases its transcription, is associated with reduced inflammation and disease activity in RA patients, effects that result in less radiographic damage.
Brief Report: Risk of Gastrointestinal Perforation Among Rheumatoid Arthritis Patients Receiving Tofacitinib, Tocilizumab, or Other Biologic Treatments
Authors: Xie Fenglong , Yun Huifeng , Bernatsky Sasha , Curtis Jeffrey R. 
Published: May 2016

ObjectiveTo evaluate gastrointestinal (GI) perforation in rheumatoid arthritis (RA) patients receiving tofacitinib, tocilizumab, or other biologic agents.MethodsUsing health plan data from 2006 through 2014, RA patients without prior GI perforation were identified. Those in whom treatment with tofacitinib or a biologic agent was being initiated were followed up for incident GI perforation with hospitalization. Crude incidence rates were calculated by exposure. Adjusted Cox proportional hazards models were used to evaluate the association between GI perforation and exposures. Hazard ratios (HRs) with 95% confidence intervals (95% CIs) were calculated.ResultsA cohort of 167,113 RA patients was analyzed. Among them, 4,755 began treatment with tofacitinib, 11,705 with tocilizumab, 115,047 with a tumor necrosis factor inhibitor (TNFi), 31,214 with abatacept, and 4,392 with rituximab. Compared to TNFi recipients, abatacept recipients were older, tofacitinib and rituximab recipients were younger, and tocilizumab recipients were similar in age. Patients beginning treatment with a non‐TNFi agent were more likely to have previously received biologic agents than patients beginning treatment with a TNFi. The incidence of GI perforation per 1,000 patient‐years was 0.86 (tofacitinib), 1.55 (tocilizumab), 1.07 (abatacept), 0.73 (rituximab), and 0.83 (TNFi). Most perforations occurred in the lower GI tract: the incidence of lower GI tract perforation per 1,000 patient‐years was 0.86 (tofacitinib), 1.26 (tocilizumab), 0.76 (abatacept), 0.48 (rituximab), and 0.46 (TNFi). Lower GI tract perforation risk was significantly elevated with tocilizumab treatment, and numerically elevated with tofacitinib treatment, versus treatment with TNFi. Adjusted HRs were 2.51 (95% CI 1.31–4.80) for tocilizumab and 1.94 (95% CI 0.49–7.65) for tofacitinib. Older age (HR 1.16 per 5 years [95% CI 1.10–1.22]), diverticulitis/other GI conditions (HR 3.25 [95% CI 1.62–6.50]), and prednisone use at >7.5 mg/day (HR 2.29 [95% CI 1.39–3.78]) were associated with lower GI tract perforation. The incidence of upper GI tract perforation was similar among all drug exposures.ConclusionThe risk of lower GI tract perforation associated with tocilizumab treatment, and possibly tofacitinib treatment, is elevated compared to that associated with TNF blockade.
Brief Report: HLA–DRB1, DQA1, and DQB1 in Juvenile‐Onset Systemic Sclerosis
Authors: Stevens Anne M. , Kanaan Sami B. , Torok Kathryn S. , Medsger Thomas A. , Mayes Maureen D. , Reveille John D. , Klein‐Gitelman Marisa , Reed Ann M. , Lee Tzielan , Li Suzanne C. , Henstorf Gretchen , Luu Christine , Aydelotte Tessa , Nelson J. Lee 
Published: May 2016

ObjectiveSystemic sclerosis (SSc) is a rare disease that is particularly uncommon in children. Specific HLA alleles have been associated with SSc in adults. This study was undertaken to investigate HLA class II alleles in juvenile‐onset SSc.MethodsDRB1, DQA1, and DQB1 alleles were determined by DNA‐based HLA typing. Analyses were conducted comparing Caucasian patients with juvenile‐onset SSc (n = 76) to healthy Caucasian controls (n = 581).ResultsInitial analyses focused on HLA class II associations previously reported in adult Caucasian patients with SSc. The frequency of DRB1*11 was not significantly increased in juvenile‐onset SSc (22.4% of patients with juvenile‐onset SSc versus 17.6% of controls; odds ratio [OR] 1.35, P = 0.34), nor were the specific DRB1*11:01 or *11:04 alleles. DQA1*05, a risk factor previously identified in adult men with SSc, was increased in patients with juvenile‐onset SSc versus controls (57.9% versus 44.1%; OR 1.76, P = 0.027), as was DRB1*03 (34.2% versus 22.5%; OR 1.79, P = 0.031). Secondary analyses of all DRB1 allele groups revealed an association with DRB1*10 (10.5% of patients with juvenile‐onset SSc versus 1.5% of controls; OR 7.48, P = 0.0002). As this is a new observation, correction was made for multiple comparisons of 13 different DRB1 allele groups; results nevertheless remained significant (P = 0.003). Also, a lower frequency of DRB1*01 was observed in patients with juvenile‐onset SSc who were younger at disease onset (OR 0.06, P = 0.01) and in those with antibodies to topoisomerase (OR 0.14, P = 0.024).ConclusionAssociations of HLA alleles with juvenile‐onset SSc differed from associations with SSc in women, but were similar to associations with SSc in men. Additionally, a novel association with DRB1*10 was observed in children. The greatest proportion of genetic risk of SSc is contributed by the HLA complex, and the current study reveals the importance of the association of HLA class II genes in juvenile‐onset SSc.
On a uniform mixture model
Authors: Gupta A. K. , Miyawaki T. 
Published: May 2016

AbstractEstimation of the parameters of a mixture of two rectangular distributions is investigated. The method of moments estimators have been derived and their properties studied. The limiting distribution of these estimators is also derived. Then the maximum likelihood estimators are obtained in some cases and their properties are also studied. Some relevant testing of hypotheses problems in this context are also explored.
Small sample results for partial classification with the studentized statisticW
Authors: McLachlan G. J. 
Published: May 2016

AbstractIn this paper an investigation is undertaken of the performance in small samples of a partial allocation procedure appropriate for imposing upper confidence bounds on both types of conditional errors of allocation associated whith the linear discriminant function. The underlying assumption is that there are two populations wich are multivariate normal with a common covariance matrix. It is concluded from a series of simulation experiments that the procedure can be applied with reasonable precision in small samples.
Inference on trends in several poisson or binomial populations
Authors: Bauer P. , Hackl P. 
Published: May 2016

AbstractIt is assumed that either the means of several Poisson, or the parameters of several binomial populations are linear functions of a regressor variable such as time. If samples from the different populations are given at several values of the regressor variable, the maximum likelihood solution exists for a reasonable set of hypotheses. It can be found by a necessarily converging, iterative procedure of successively solving single equations. Two examples are given, one dealing with suicide numbers in the different districts of Vienna over the years 1966–1974 and one with proportions of stillbirths among all births in different areas of Austria during the years 1951–1960; on the basis of these data three different solution algorithms are compared.
Comparison of missing plot techniques
Authors: Burns W. D. , Charlton P. J. , Li W. K. 
Published: May 2016

AbstractThree methods are considered for the analysis of incomplete data from designed experiments. One is to analyse the data as they stand, a second is to fit missing plot values and a third is to fit such values approximately and to adjust by the analysis of covariance. Examination of the first leads to a method for identifying the contrast affected. The second causes overestimation of the treatment sum of squares, but a formula is given. A numerical example is included.
Combinatorial evolution of phosphotriesterase toward a robust malathion degrader by hierarchical iteration mutagenesis
Authors: Luo Xiao‐Jing , Zhao Jian , Li Chun‐Xiu , Bai Yun‐Peng , Reetz Manfred T. , Yu Hui‐Lei , Xu Jian‐He 
Published: May 2016

ABSTRACTMalathion is one of the most widely used organophosphorus pesticides in the United States and developing countries. Herein, we enhanced the degradation rate of malathion starting with a phosphotriesterase PoOPHM2 while also considering thermostability. In the first step, iterative saturation mutagenesis at residues lining the binding pocket (CASTing) was employed to optimize the enzyme active site for substrate binding and activity. Hot spots for enhancing activity were then discovered through epPCR‐based random mutagenesis, and these beneficial mutations were then recombined by DNA shuffling. Finally, guided by in silico energy calculations (FoldX), thermostability of the variant was improved. The mutations extend from the core region to the enzyme surface during the evolutionary pathway. After screening <9,000 mutants, the best variant PoOPHM9 showed 25‐fold higher activity than wild‐type PoOPHM2, with a thermostability (T5015) of 67.6°C. Thus, PoOPHM9 appears to be an efficient and robust candidate for malathion detoxification. Biotechnol. Bioeng. 2016;113: 2350–2357. © 2016 Wiley Periodicals, Inc.
Application of a LC–MS/MS method developed for the determination of p‐phenylenediamine, N‐acetyl‐p‐phenylenediamine and N,N‐diacetyl‐p‐phenylenediamine in human urine specimens
Authors: Mohamed Khaled M. , Steenkamp Vanessa 
Published: May 2016

AbstractCases of poisoning by p‐phenylenediamine (PPD) are detected sporadically. Recently an article on the development and validation of an LC–MS/MS method for the detection of PPD and its metabolites, N‐acetyl‐p‐phenylenediamine (MAPPD) and N,N‐diacetyl‐p‐phenylenediamine (DAPPD) in blood was published. In the current study this method for detection of these compounds was validated and applied to urine samples. The analytes were extracted from urine samples with methylene chloride and ammonium hydroxide as alkaline medium. Detection was performed by LC–MS/MS using electrospray positive ionization under multiple reaction‐monitoring mode. Calibration curves were linear in the range 5–2000 ng/mL for all analytes. Intra‐ and inter‐assay imprecisions were within 1.58–9.52 and 5.43–9.45%, respectively, for PPD, MAPPD and DAPPD. Inter‐assay accuracies were within −7.43 and 7.36 for all compounds. The lower limit of quantification was 5 ng/mL for all analytes. The method, which complies with the validation criteria, was successfully applied to the analysis of PPD, MAPPD and DAPPD in human urine samples collected from clinical and postmortem cases.
Monte Carlo method to explain the probabilistic interpretation of atomic quantum mechanics
Authors: Coto Baudilio , Arencibia Amaya , Suárez Inmaculada 
Published: May 2016

ABSTRACTQuantum mechanics description of physical and chemical systems is included in books of Physics, General Chemistry or Physical Chemistry including mathematical, graphical, and conceptual descriptions. Mathematical calculations are complex and are covered only in advanced courses. Main problem in the first degree courses is the understanding of the probabilistic interpretation of quantum mechanics. The Monte Carlo method is based on probabilistic concepts and its application to quantum calculations can be carried out quite straightforward. In this work, a simple Monte Carlo method was used to obtain a sequence of random electron coordinates according to the probability given by the wave function. Electron is seen as a shot whose appearance is only accepted and plotted when probability is high enough. Hydrogen atom was studied as it is a familiar system for most students and its description can be easily related to previous knowledge of atomic orbitals. The objective of the present work is to supply all the crucial points that students need to create their own program to plot atomic orbitals according to the above ideas. All the numerical details are indicated in order to get the proposed programming project as a simple task. Student should be able to generate random electron coordinates, to compute wave functions and probabilities, and to obtain plots according to the right probabilistic interpretation of quantum mechanics. In order to show the quantitative obtained plots some results were shown. Typical s, p, and d orbitals were obtained and compared to the usual angular and radial representation. © 2016 Wiley Periodicals, Inc. Comput Appl Eng Educ 24:765–774, 2016; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21749
Sodium nitrite enhances generation of reactive oxygen species that decrease antioxidant power and inhibit plasma membrane redox system of human erythrocytes
Authors: Ansari Fariheen Aisha , Mahmood Riaz 
Published: May 2016

AbstractNitrite/nitrate salts are used in fertilizers and as food preservatives. Human exposure to high levels of nitrite results in its uptake and subsequent entry into blood where it can interact with erythrocytes. We show that treatment of human erythrocytes with sodium nitrite (NaNO2) results in a dose‐dependent increase in the production of reactive oxygen species. This was accompanied by a decrease in the antioxidant power which lowered the free radical quenching and metal‐reducing ability. NaNO2 treatment also inhibited plasma membrane redox system (PMRS) of erythrocytes. These changes increase the susceptibility of erythrocytes to oxidative damage, decrease the antioxidant power of whole blood, and can be a major cause of nitrite‐induced cellular toxicity.
Ozonation of Pyrolytic Aqueous Phase: Changes in the Content of Phenolic Compounds and Color
Authors: Liaw Shi‐Shen , Justo Oselys Rodriguez , Perez Victor Haber , Zhou Shuai , Garcia‐Perez Manuel 
Published: May 2016

AbstractOzonation on the phenols present in pyrolytic aqueous phases attained from biomass thermochemical conversion was evaluated. During ozonation, the dark color of original samples was found to decrease as a function of ozonation time. The oxidation kinetics of phenols was quantified by a method based on the color changes of samples. The oxidation profiles showed different behaviors and in some cases the phenols presented a positive correlation with the relative R color parameter, except eugenol, syringol, and vanillin which were markedly different. Finally, the color changes observed seem to be associated with the changes in the overall content of phenols and with the change in the molecular weight of the heavy fractions that include lignin oligomers.
Harnessing C−H Activation of Benzhydroxamates as a Macrocyclization Strategy: Synthesis of Structurally Diverse Macrocyclic Isoquinolones
Authors: Krieger Jean‐Philippe , Ricci Gino , Lesuisse Dominique , Meyer Christophe , Cossy Janine 
Published: May 2016

AbstractMacrocycles are arising considerable interest in medicinal chemistry. With the goal of harnessing C−H activation reactions for the development of efficient macrocyclization processes, the ruthenium(II)‐catalyzed cyclization of O‐methyl benzhydroxamates possessing an ω‐acetylenic chain was investigated to access new structurally diverse macrocyclic isoquinolones. A slow addition of the substrate and the presence of Cu(OAc)2⋅H2O as an additive were crucial for the success of the macrocyclization that features an excellent functional‐group compatibility, as illustrated by the successful synthesis of a library of 21 macrocyclic isoquinolones of different ring sizes and substitution patterns. These results contribute to significantly highlight the synthetic interest of C−H activation‐mediated processes for the synthesis of new macrocyles incorporating heterocyclic scaffolds of potential interest in medicinal chemistry.
ChemInform Abstract: Photocatalytic Reduction of Mercury(II) Ions in Aqueous Suspensions of Titanium Dioxide and Tungsten Trioxide.
Authors: DOMENECH J. , ANDRES M. 
Published: May 2016

AbstractIt is shown that UV irradiation of aqueous suspensions of TiO2 and WO3 containing Hg(II) results in the formation of Hg deposits on both semiconductor particles.
ChemInform Abstract: Transformation of But‐1‐ene into Aromatic Hydrocarbons Over ZSM‐5 Zeolites.
Authors: ONO Y. , KITAGAWA H. , SENDODA Y. 
Published: May 2016

AbstractThe yield of aromatic hydrocarbons from but‐1‐ene increases greatly when Zn cations are incorporated into ZSM‐5 zeolites.
ChemInform Abstract: Effects of Sterically Remote Substituents on π‐Facial Stereoselectivity in Additions to Methylenecyclohexanes.
Authors: JOHNSON C. R. , TAIT B. D. , CIEPLAK A. S. 
Published: May 2016

AbstractIn addition to the reaction shown in the scheme, the oxidation of (I) with m‐chloroperoxybenzoic acid followed by reduction and the catalytic osmylation of (I) with subsequent methylation of the resulting diols lead to the methyl carbinols (II) and (III).
ChemInform Abstract: The Oxidation of Secondary and Tertiary Alcohols by Nitrous Acid.
Authors: MOODIE R. B. , RICHARDS S. N. , THORNE M. P. 
Published: May 2016

AbstractTreatment of the 1‐phenylethanols (II) with nitrous acid in aqueous sulfuric acid results in two competitive processes: direct dehydrogenation, yielding the acetophenones (I), or dehydration to give the intermediate styrenes (III) which are oxidatively cleaved, forming the benzaldehydes (IV).
ChemInform Abstract: Elucidation of a Side Reaction During Acylation of Primary Amines with Fatty Acid Chlorides.
Authors: METZGER J. , JUNG G. 
Published: May 2016

AbstractThe acylation of the cystine diester (I) with palmitoyl chloride (II) in the presence of a tert. base affords a by‐product (IIIb) along with the regular acylation product (IIIa).
ChemInform Abstract: Reactions of Polyfluoro‐arenols and ‐heteroarenols with Activated Dimethyl Sulfoxide. Facile (2,3)‐Sigmatropic Rearrangement Reactions Giving Dearomatized Products.
Authors: BROOKE G. M. , FERGUSON J. A. K. J. 
Published: May 2016

AbstractActivation of DMSO using DCC/H3PO4 or, preferably, trifluoroacetic anhydride, and reaction with polyfluorophenols (I) yields mixtures of (III)‐(V) with (IV) being formed from (III) by the title rearrangement.
ChemInform Abstract: Structure of 2,3‐Butanedione Dihydrazone and IR Study of Higher Polyazines: A New Class of Polymeric Conductors.
Authors: HAUER C. R. , KING G. S. , MCCOOL E. L. , EULER W. B. , FERRARA J. D. , YOUNGS W. J. 
Published: May 2016

AbstractThe preparation and IR spectra for a series of polyazines (III) are reported.
ChemInform Abstract: Organic Sulfur Mechanisms. Part 32. ω‐Hydroxy‐1‐alkanesulfonyl Chlorides.
Authors: KING J. F. , WEBSTER M. R. , CHIBA N. , ALLEN J. K. , PARKER K. J. M. , RATHORE R. , SKONIECZNY S. 
Published: May 2016

AbstractThe ω‐chloro‐1‐alkanols (I) react with thiourea (II) to form the thiuronium salts (III).
ChemInform Abstract: Zinc Chloride Catalyzed Condensation of Mesityl Oxide with Benzoylacetone.
Authors: AHMAD M. , MIRZA A. H. , ALAUDDIN M. , AHMED M. G. 
Published: May 2016

AbstractReaction of mesityl oxide (I) with the 1,3‐diketone (II) in the presence of anhydrous zinc chloride gives a mixture of the isomeric cyclohexenones (III) ‐ (V).
ChemInform Abstract: Synthesis and Properties of Tricyclo(5.3.0.02,8)deca‐3,5‐dien‐9‐one. A New Entry to the C10H10 Manifold.
Authors: GLEITER R. , ZIMMERMANN H. , SANDER W. , HAUCK M. 
Published: May 2016

AbstractStarting with the bisacetal (I), the title compound (XII) is synthesized as outlined in the reaction scheme.
ChemInform Abstract: Use of Phosphorus Pentoxide. Preparation of Half‐Esters Through Selective Esterification.
Authors: BANERJEE A. , ADAK M. M. , DAS S. , BANERJEE S. , SENGUPTA S. 
Published: May 2016

AbstractThe diacids (I) are treated with the alcohols (II) in the presence of P4O10, yielding the aliphatic half‐ester (III) and minor amounts of the diester (IV).
ChemInform Abstract: Preparation, Reduction and Alkylation of 5,7‐Polymethylenecyclohepta‐(c) and (b)furan‐6‐one.
Authors: BORAI M. E. , ELBARBARY A. A. , SAKKRAN M. , FAHMY M. 
Published: May 2016

AbstractFuran‐3,4‐dicarboxaldehyde (I) is coupled with the cyclic ketones (II) to give the tricyclic ketones (III).
ChemInform Abstract: Cobalt‐Mediated Radical Addition‐Elimination Carbon‐Carbon Bond Forming Reactions in Synthesis.
Authors: PATEL V. F. , PATTENDEN G. 
Published: May 2016

AbstractThe iodophenyl allyl ether (I) is cyclized in the presence of cobalt salophen (II) and sodium amalgam to form the dihydrobenzofuranylcobalt complex (III).
ChemInform Abstract: Synthesis of 3‐Substituted Indoles via a Modified Madelung Reaction.
Authors: ORLEMANS E. O. M. , SCHREUDER A. H. , CONTI P. G. M. , VERBOOM W. , REINHOUDT D. N. 
Published: May 2016

AbstractThe N‐protected or deprotected title compounds (VIII) or (X) and (XV) are prepared starting from the anilines (I) and (XIII) via reaction with Ac2O (VI) and Ph‐CO‐Cl (XIV) and subsequent cyclization.
ChemInform Abstract: Nucleophilic Additions to Triazolinedione Ylides, Extremely Reactive Carbonyl Equivalents: A New Class of Condensation Reactions.
Authors: WILSON R. M. , HENGGE A. 
Published: May 2016

AbstractReaction of 2,3‐dimethylindole (I) with N‐phenyltriazolinedione (II) yields the urazole (III) which is oxidized to produce the ylide (IV).
ChemInform Abstract: Synthesis of 4(5)‐Acyl‐, 1‐Substituted 5‐Acyl‐, and 1‐Substituted 4‐Acyl‐1H‐imidazoles from 4‐Aminoisoxazoles.
Authors: REITER L. A. 
Published: May 2016

AbstractThe 4‐aminoisoxazoles (I), which are prepared by reduction of the corresponding nitro compounds, are acylated to yield the amides (III).
ChemInform Abstract: New Polyheteropolycyclic Ring Systems. Part 25. Synthesis of SteroidType Compounds Derived from 5,5‐Dimethyl‐2,3,5,6‐tetrahydro‐4H‐thiopyrano(3,2‐g)benzothiadiazole‐4‐one.
Authors: RAMADAS S. R. , RAMANA D. V. , BAKTHAVATCHALAM R. 
Published: May 2016

AbstractThe monotosylhydrazone (I) derived from dimedone is cyclized to form the fused thiadiazole (II).
ChemInform Abstract: Dihydroisoquinoline Rearrangement. Part 39. 6,7‐Dimethoxy‐2‐methyl‐1phenylpropargyl‐1,2‐dihydroisoquinoline.
Authors: KNABE J. , HANKE B. 
Published: May 2016

AbstractThe N‐benzoylcyanodihydroisoquinoline (I) is coupled with the propargyl bromide (II) to form the alkylated derivative (III).