bluuebunny/crossref_metadata_2025_split huggingface dataset:
TET1‐Mediated Oxidation of 5‐Formylcytosine (5fC) to 5‐Carboxycytosine (5caC) in RNA
Authors: Basanta‐Sanchez Maria , Wang Rui , Liu Zhenzhen , Ye Xiaohan , Li Minyong , Shi Xiaodong , Agris Paul F. , Zhou Yubin , Huang Yun , Sheng Jia 
Published: November 2016

AbstractIt was recently revealed that 5‐methylcytosine (5mC) in mRNA, similar to its behavior in DNA, can be oxidized to produce 5‐hydroxymethylcytosine (5hmC) and 5‐formylcytosine (5fC), implying the potential regulatory roles of this post‐transcriptional RNA modification. In this study, we demonstrate the in vitro oxidation of 5fC to 5‐carboxycytidine (5caC) by the catalytic domain of mammalian ten‐eleven translocation enzyme (TET1) in different RNA contexts. We observed that this oxidation process has very low sequence dependence and can take place in single‐stranded, double‐stranded, or hairpin forms of RNA sequences, although the overall conversion yields are low.
Molecular Origin of the Selectivity Differences between Palladium and Gold–Palladium in Benzyl Alcohol Oxidation: Different Oxygen Adsorption Properties
Authors: Savara Aditya , Chan‐Thaw Carine E. , Sutton Jonathan E. , Wang Di , Prati Laura , Villa Alberto 
Published: November 2016

AbstractThe same mechanism and microkinetic model used for benzyl alcohol oxidation over Pd/C was shown to apply to benzyl alcohol oxidation over AuPd/C. Almost all of the selectivity differences could be explained by a decrease in oxygen adsorption on AuPd. After isolating oxygen adsorption as being the origin of the selectivity differences, density functional theory was used to investigate the oxygen adsorption properties of a pure Pd surface, a pure Au surface, and an alloyed AuPd surface. The calculations showed that Au–Pd alloying decreased the oxygen adsorption properties relative to pure Pd, which explained the selectivity differences, consistent with the microkinetic modeling.
Paramagnetic DOSY: An Accurate Tool for the Analysis of the Supramolecular Interactions between Lanthanide Complexes and Proteins
Authors: Denis‐Quanquin Sandrine , Riobé François , Delsuc Marc‐André , Maury Olivier , Giraud Nicolas 
Published: November 2016

AbstractDiffusion ordered NMR is implemented to determine accurately the mobility of paramagnetic tris‐dipicolinate lanthanide complexes that are versatile probes of protein structure. It is shown that diffusion coefficient ratios can be measured with an accuracy of 1 % using a standard BPPLED pulse sequence, which allows for observing significant, though weak, variations when different species are interacting with the paramagnetic compound. We demonstrate that this approach is complementary to classical chemical shift titration experiments, and that it can be applied successfully to probe the supramolecular dynamic interactions between lanthanide complexes and small molecules on the one hand, or to determine rapidly their affinity for a targeted protein.
Predicting Multicomponent Adsorption Isotherms in Open‐Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory
Authors: Heinen Jurn , Burtch Nicholas C. , Walton Krista S. , Fonseca Guerra Célia , Dubbeldam David 
Published: November 2016

AbstractFor the design of adsorptive‐separation units, knowledge is required of the multicomponent adsorption behavior. Ideal adsorbed solution theory (IAST) breaks down for olefin adsorption in open‐metal site (OMS) materials due to non‐ideal donor–acceptor interactions. Using a density‐function‐theory‐based energy decomposition scheme, we develop a physically justifiable classical force field that incorporates the missing orbital interactions using an appropriate functional form. Our first‐principles derived force field shows greatly improved quantitative agreement with the inflection points, initial uptake, saturation capacity, and enthalpies of adsorption obtained from our in‐house adsorption experiments. While IAST fails to make accurate predictions, our improved force field model is able to correctly predict the multicomponent behavior. Our approach is also transferable to other OMS structures, allowing the accurate study of their separation performances for olefins/paraffins and further mixtures involving complex donor–acceptor interactions.
Thermochromic Magnetic Ionic Liquids from Cationic Nickel(II) Complexes Exhibiting Intramolecular Coordination Equilibrium
Authors: Lan Xue , Mochida Tomoyuki , Funasako Yusuke , Takahashi Kazuyuki , Sakurai Takahiro , Ohta Hitoshi 
Published: November 2016

AbstractAmong the various thermochromic materials, liquid thermochromic materials are comparatively rare. To produce functional thermochromic liquids, we have designed ionic liquids based on cationic nickel complexes with ether side chains, [Ni(acac)(Me2NC2H4NR1R2)]Tf2N ([1]Tf2N: R1=C3H6OEt, R2=Me; [2]Tf2N: R1=C3H6OMe, R2=Me; [3]Tf2N: R1=R2=C3H6OMe), where acac=acetylacetonate and Tf2N=(F3CSO2)2N−. The side chains (R1, R2) can moderately coordinate to the metal center, enabling temperature‐dependent coordination equilibria in the liquid state. [1]Tf2N is a liquid at room temperature. [2]Tf2N is obtained as a solid (Tm=352.7 K) but remains liquid at room temperature after melting. [3]Tf2N is a solid with a high melting point (Tm=422.3 K). These salts display thermochromism in the liquid state, appearing red at high temperatures and orange, light‐blue, or bluish‐green at lower temperatures, and exhibiting concomitant changes in their magnetic properties. This phenomenon is based on temperature‐dependent equilibrium between a square‐planar diamagnetic species and a paramagnetic species with intramolecular ether coordination.
Crystal Structure of the DFNKF Segment of Human Calcitonin Unveils Aromatic Interactions between Phenylalanines
Authors: Bertolani Arianna , Pizzi Andrea , Pirrie Lisa , Gazzera Lara , Morra Giulia , Meli Massimiliano , Colombo Giorgio , Genoni Alessandro , Cavallo Gabriella , Terraneo Giancarlo , Metrangolo Pierangelo 
Published: November 2016

AbstractAlthough intensively studied, the high‐resolution crystal structure of the peptide DFNKF, the core‐segment of human calcitonin, has never been described. Here we report how the use of iodination as a strategy to promote crystallisation and facilitate phase determination, allowed us to solve, for the first time, the single‐crystal X‐ray structure of a DFNKF derivative. Computational studies suggest that both the iodinated and the wild‐type peptides populate very similar conformations. Furthermore, the conformer found in the solid‐state structure is one of the most populated in solution, making the crystal structure a reliable model for the peptide in solution. The crystal structure of DFNKF(I) confirms the overall features of the amyloid cross‐β spine and highlights how aromatic–aromatic interactions are important structural factors in the self‐assembly of this peptide. A detailed analysis of such interactions is reported.
Interleukin‐37 elevation in patients with atrial fibrillation
Authors: Li Weidong , Li Shijie , Li Xianjin , Jiang Shuzhong , Han Bing 
Published: November 2016

BackgroundInflammation is closely related to atrial fibrillation (AF) pathogenesis, and interleukin‐37 (IL‐37) represents a new member of the anti‐inflammatory cytokines.Hypothesis
IL‐37 might play an important role in AF development and act as a potential risk factor for AF diagnosis.MethodsThe mRNA level of IL‐37 in peripheral blood mononuclear cells (PBMCs) and serum IL‐37 levels in AF patients and healthy controls were measured by real‐time polymerase chain reaction (RT‐PCR) and enzyme‐linked immunosorbent assay (ELISA). PBMCs from AF patients were stimulated with recombinant IL‐37. Levels of pro‐inflammatory cytokines IL‐6 and C‐reactive protein were determined by RT‐PCR and ELISA.Results
IL‐37 mRNAs and serum protein levels were higher in patients with AF or lone AF compared with healthy controls. Patients with paroxysmal AF or persistent AF showed higher IL‐37 mRNAs and serum protein levels compared with those with permanent AF as well as healthy controls. In vitro, IL‐37 inhibited the production of IL‐6 and C‐reactive protein in PBMCs of patients with AF.Conclusions
IL‐37 is elevated in AF patients and its expression is closely associated with AF subgroups. Thus, IL‐37 may provide a novel research target for the pathogenesis and therapy of AF. This study is the first to document elevated IL‐37 in AF patients.
Cardiopulmonary exercise testing improves diagnostic specificity in patients with echocardiography‐suspected pulmonary hypertension
Authors: Zhao Qin‐Hua , Wang Lan , Pudasaini Bigyan , Jiang Rong , Yuan Ping , Gong Su‐Gang , Guo Jian , Xiao Qiang , Liu Hui , Wu Cheng , Jing Zhi‐Cheng , Liu Jin‐Ming 
Published: November 2016

BackgroundDoppler echocardiography is usually the first diagnostic investigation for patients suspected with pulmonary hypertension (PH), but it is often inaccurate when used alone, especially in mild PH.HypothesisCardiopulmonary exercise testing (CPET) may serve as a complementary tool to improve diagnostic accuracy in echocardiography‐suspected “PH possible” patients.MethodsEighty‐eight consecutive patients with suspected PH (referred to as “PH possible” hereafter) based on echocardiography were included in the study. CPET was assessed subsequently and PH was confirmed by right‐heart catheterization in all subjects. We analyzed CPET data from patients and derived a CPET prediction rule to hemodynamically differentiate PH.ResultsEighty‐eight patients (27 patients with confirmed PH, and PH ruled out in 61 patients) were included in the study. Compared with non‐PH patients, the PH subjects had lower peak oxygen uptake (VO2
), aerobic capacity (AT), peak partial pressure of end‐tidal CO2
(PETCO2
), oxygen uptake efficiency plateau (OUEP), and oxygen uptake efficiency slope (OUES), along with higher minute ventilation (VE)/carbon dioxide output (VCO2
) slope and lowest VE/VCO2
(P < 0.001). VE/VCO2
slope and AT were independent predictors of PH derived from multivariate logistic regression adjusted for age and body mass index. A score combining VE/VCO2
slope and AT reached a high area under the curve value of 0.98. A score ≥0.5 had 95% specificity and 92.6% sensitivity for diagnosis of PH.ConclusionsA score combining VE/VCO2
slope and AT provides high specificity in screening out PH from a pool of echocardiography‐suspected PH patients.
HLA‐E allelic genotype correlates with HLA‐E plasma levels and predicts early progression in chronic lymphocytic leukemia
Authors: Wagner Bettina , da Silva Nardi Fabiola , Schramm Sabine , Kraemer Thomas , Celik Alexander A. , Dürig Jan , Horn Peter A. , Dührsen Ulrich , Nückel Holger , Rebmann Vera 
Published: November 2016

BACKGROUNDHuman leukocyte antigen‐E (HLA‐E) is a nonclassical major histocompatibility complex class I molecule that recently came into sharper focus as a putative marker of advanced tumor stages and disease progression. In solid tumors, increased HLA‐E expression as well as elevated soluble HLA‐E (sHLA‐E) plasma levels are associated with a poor prognosis; however, a role for HLA‐E in hematologic malignancies remains to be established.METHODSThe authors analyzed HLA‐E alleles and sHLA‐E levels in a cohort of 110 individuals with chronic lymphocytic leukemia (CLL).RESULTSIn patients with CLL, levels of sHLA‐E increased with advanced disease stage (P = .01) and decreased after therapy (P = .01). Longitudinal follow‐up revealed that both HLA‐E*01:03 alleles and high levels of sHLA‐E were significantly associated with a requirement for early treatment in patients with CLL (P = .027 and P = .023, respectively). In vitro, sHLA‐E inhibited degranulation and interferon‐γ production by natural killer (NK) cells when cocultivated with tumor cells. Moreover, sHLA‐E loaded onto microspheres induced transforming growth factor‐β release by NK cells. Multivariate analysis revealed that the presence of at least 1 HLA‐E*01:03 allele was an independent predictor of a requirement for early treatment.CONCLUSIONSHLA‐E alleles and sHLA‐E levels may represent novel biomarkers for early disease progression in patients with CLL. Cancer 2017;123:814–23. © 2016 American Cancer Society.
Ultraviolet and Infrared Spectra of Diboron in Solid Neon at 4 K
Authors: Lo Jen‐Iu , Chou Sheng‐Lung , Lu Hsiao‐Chi , Peng Yu‐Chain , Lin Meng‐Yeh , Cheng Bing‐Ming , Ogilvie J. F. 
Published: November 2016

AbstractApart from products H, B, BH, BH2 and BH3 identified from their emission spectra in the UV/Vis region, photolysis of diborane(6) dispersed in solid neon at 4 K with far‐ultraviolet light from a synchrotron led to observation of absorption line (0,0) of the electronic transition A 3Σu−←X 3Σg− of B2 at 326.39 nm. Absorption lines (1,0) of 11B2, 11B10B and 10B2 were recorded at 316.63, 316.40 and 316.15 nm, respectively. ΔG1/2 of state A 3Σu− for 11B2, 11B10B and 10B2 in solid neon are accordingly derived to be 945, 968 and 993 cm−1, respectively. Weak lines (0,1) of 11B2 at 29586 cm−1 and of 11B10B at 29560 cm−1, corresponding to 1042±30 and 1068±30 cm−1 for vibrational modes in the electronic ground state, were recorded in emission. An absorption line recorded at 1066.5±0.5 cm−1 in infrared spectra after photolysis of either B2H6 in Ne or B2D6 with D2 in Ne is thus attributed to 11B10B.
Conductive Polymer Nanosheets Generated from the Crystal Surface of an Organic Oxidant
Authors: Sato Kosuke , Masaki Hirotaka , Arayasu Mirei , Oaki Yuya , Imai Hiroaki 
Published: November 2016

AbstractMorphology control of conductive polymers contributes to improving electrochemical properties based on their redox‐active nature. In general, it is not easy to achieve simultaneous synthesis and morphology control of conductive polymers because of their low solubility and processability. Here the crystal surface of an organic oxidative agent is used for simultaneous synthesis and morphogenesis of the conductive polymer polypyrrole (PPy) under mild conditions. The oxidant crystal plays multiple roles, serving as the reaction field to supply the oxidative agent, the template for control of hierarchical morphology, and the source of dopant, with diffusion of the monomer vapor under low temperature and ambient pressure. A hollow plate‐like morphology consisting of the PPy nanosheets was obtained from crystals of quinone derivatives through oxidative polymerization in high yield. The resultant PPy nanosheets showed improved conductivity without further doping and enhanced electrochemical properties as an active material of redox capacitors. The present approach using the crystal surface can be applied to a variety of polymerization systems.
Immobilization of Redox Enzymes on Nanoporous Gold Electrodes: Applications in Biofuel Cells
Authors: Siepenkoetter Till , Salaj‐Kosla Urszula , Xiao Xinxin , Conghaile Peter Ó , Pita Marcos , Ludwig Roland , Magner Edmond 
Published: November 2016

AbstractNanoporous gold (NPG) electrodes were prepared by dealloying sputtered gold:silver alloys. Electrodes of different thicknesses and pore sizes areas were prepared by varying the temperature and duration of the dealloying procedure; these were then used as supports for FAD‐dependent glucose dehydrogenase (GDH) (Glomorella cingulata) and bilirubin oxidase (BOx) (Myrothecium verrucaria). Glucose dehydrogenase was immobilized by drop‐casting a solution of the enzyme with an osmium redox polymer together with a crosslinked polymer, whereas bilirubin oxidase was attached covalently through carbodiimide coupling to a diazonium‐modified NPG electrode. The stability of the bilirubin‐oxidase‐modified NPG electrode was significantly improved in comparison with that of a planar gold electrode. Enzyme fuel cells were also prepared; the optimal response was obtained with a BOx‐modified NPG cathode (500 nm thickness) and a GDH‐modified anode (300 nm), which generated power densities of 17.5 and 7.0 μW cm−2 in phosphate‐buffered saline and artificial serum, respectively.
Integrating data‐deficient species in analyses of evolutionary history loss
Authors: Veron Simon , Penone Caterina , Clergeau Philippe , Costa Gabriel C. , Oliveira Brunno F. , São‐Pedro Vinícius A. , Pavoine Sandrine 
Published: November 2016

AbstractThere is an increasing interest in measuring loss of phylogenetic diversity and evolutionary distinctiveness which together depict the evolutionary history of conservation interest. Those losses are assessed through the evolutionary relationships between species and species threat status or extinction probabilities. Yet, available information is not always sufficient to quantify the threat status of species that are then classified as data deficient. Data‐deficient species are a crucial issue as they cause incomplete assessments of the loss of phylogenetic diversity and evolutionary distinctiveness. We aimed to explore the potential bias caused by data‐deficient species in estimating four widely used indices: HEDGE, EDGE, PDloss, and Expected PDloss. Second, we tested four different widely applicable and multitaxa imputation methods and their potential to minimize the bias for those four indices. Two methods are based on a best‐ vs. worst‐case extinction scenarios, one is based on the frequency distribution of threat status within a taxonomic group and one is based on correlates of extinction risks. We showed that data‐deficient species led to important bias in predictions of evolutionary history loss (especially high underestimation when they were removed). This issue was particularly important when data‐deficient species tended to be clustered in the tree of life. The imputation method based on correlates of extinction risks, especially geographic range size, had the best performance and enabled us to improve risk assessments. Solving threat status of DD species can fundamentally change our understanding of loss of phylogenetic diversity. We found that this loss could be substantially higher than previously found in amphibians, squamate reptiles, and carnivores. We also identified species that are of high priority for the conservation of evolutionary distinctiveness.
Basal ganglia dysfunction in complex regional pain syndrome – A valid hypothesis?
Authors: Azqueta‐Gavaldon M. , Schulte‐Göcking H. , Storz C. , Azad S. , Reiners A. , Borsook D. , Becerra L. , Kraft E. 
Published: November 2016

AbstractComplex regional pain syndrome (CRPS) is a poorly understood pain disorder of the limbs. Maladaptive cortical plasticity has been shown to play a major role in its pathophysiological presentation. Recently, there is increasing interest in the role of the basal ganglia (BG), since clinical findings and neuroimaging studies point to possible BG involvement in CRPS. CRPS symptoms are often characterized by movement disorders associated with BG dysfunction. Very frequently, dystonia and tremor are reported and, to a lesser extent, myoclonus. Neuroimaging studies present inconsistent findings concerning altered brain networks and mainly focus on cortical areas. Subcortical contribution to this disorder has so far been neglected. Clinical data presenting BG dysfunction‐related movement disorders in CRPS patients raise the hypothesis of BG dysfunction in this syndrome. Moreover, several neuroimaging studies documented abnormalities in the BG and in the frontal, parietal and limbic cortical areas. These regions are functionally and anatomically connected in motor, pain and working memory networks. Put together, these findings call for further characterization of the dynamic cortical and subcortical interactions in CRPS.SignificanceThis paper presents an overview of our current knowledge about BG pathology in CRPS. A better understanding of the involvement of the BG in the CRPS pathology holds the potential for developing and improving efficacious, mechanism‐based treatment modalities.
Monoclonal gammopathy of undetermined significance (MGUS) and smoldering myeloma (SMM): a practical guide to management
Authors: Maciocia Nicola , Wechalekar Ashutosh , Yong Kwee 
Published: November 2016

AbstractMonoclonal gammopathy of undetermined significance and smoldering multiple myeloma are precursor conditions of symptomatic multiple myeloma (MM). Diagnostic principles are aimed at excluding MM requiring therapy, other conditions associated with paraproteins that may require different management, and risk stratifying patients for the purposes of tailored follow‐up and investigation. The International Myeloma Working Group have recently published a revised definition of MM, which singles out a small group of patients with smoldering multiple myeloma who are at very high risk of progression and organ damage; such patients are now included under the definition of MM and recommended to start anti‐myeloma treatment. Furthermore, the recently published National Institute of Health and Care Excellence guideline recommends cross‐sectional imaging techniques in place of skeletal survey. These recent recommendations are discussed, and practical guidance for investigation and management are presented.
Interviewing asylum seekers: A vignette study on the questions asked to assess credibility of claims about origin and persecution
Authors: van Veldhuizen Tanja S. , Horselenberg Robert , Landström Sara , Granhag Pär Anders , van Koppen Peter J. 
Published: November 2016

AbstractThe aim of the current vignette study is to map the style, type, and themes of questions that are asked when assessing the credibility of asylum seekers' claims. Sixty‐five officials from the Swedish Migration Agency (Migrationsverket), were asked to respond to one out of four different vignettes that contained fictitious asylum narratives. Each vignette presented the types of problems often encountered by officials at the migration board. Two of the vignettes contained no evidence of the origin of the asylum seeker. The other two contained no evidence for the claim of persecution. The asylum officials were asked to formulate five questions that would help them to assess the veracity of the applicant's claim. Our analyses showed that they mainly formulated open questions in an information gathering style. A thematic analysis of the questions revealed that when a claim about origin was assessed, asylum officials mostly asked questions about life in the country of origin, identity documents, and the flight to Europe. When the claim about persecution was assessed, in contrast, asylum officials mostly formulated case‐specific questions (e.g., how the applicant was arrested). Hence, when the credibility of claims about origin is assessed, there seems to be a typical set of questions that asylum officials use. The asylum officials seem to assume that if the applicant is truly originating from a specific country or area, he or she should have ample knowledge about that area, its customs, and frequently encountered objects.
Rotating periodic solutions for second‐order dynamical systems with singularities of repulsive type
Authors: Chang Xiaojun , Li Yong 
Published: November 2016

In this paper, we study the following second‐order dynamical system:

urn:x-wiley:mma:media:mma4223:mma4223-math-0001
where c⩾0 is a constant,
and
. When g admits a singularity at zero of repulsive type without the restriction of strong force condition, we apply the coincidence degree theory to prove that the system admits nonplanar collisionless rotating periodic solutions taking the form u(t + T) = Qu(t),
with T > 0 and Q an orthogonal matrix under the assumption of Landesman–Lazer type. Copyright © 2016 John Wiley & Sons, Ltd.