bluuebunny/crossref_metadata_2025_split huggingface dataset:
Identification of Sequence Variants within Experimentally Validated Protein Interaction Sites Provides New Insights into Molecular Mechanisms of Disease Development
Authors: Skrlj Blaz , Konc Janez , Kunej Tanja 
Published: April 2017

AbstractProtein interactions (PI) underlie complex biological processes. Protein interaction partners include DNA, RNA, ions, small chemical compounds, and proteins (protein‐protein interactions; PPI). Analysis of sequence variants within regions corresponding to experimentally validated PI sites presents novel opportunities for understanding of complex diseases. Such information has not been systematically collected due to the fact that datasets are dispersed throughout databases and publications. Sequence variants and PI regions were obtained from the UniProt database. The location of the variants was compared to start and end positions of each PPI. Associations of sequence variants with phenotype were obtained from databases including COSMIC, GAD, PharmGKB, and dbSNP. We developed a catalogue of 603 sequence variants located within regions corresponding to experimentally validated PI sites, mostly PPI regions. These sequence variants were previously associated with risk for cancer, reproduction, ageing, renal, and immune system diseases. The developed catalogue connects information from different research papers and databases, represents a new layer of information and enables designing new hypotheses. It provides a baseline for prioritization of sequence variants, which may affect protein function and binding sites. The study contributes to the development of the proteogenomics field and provides new insights for understanding molecular mechanisms underlying disease development.
Computer‐aided Dereplication and Structure Elucidation of Natural Products at the University of Reims
Authors: Bakiri Ali , Plainchont Bertrand , de Paulo Emerenciano Vicente , Reynaud Romain , Hubert Jane , Renault Jean‐Hugues , Nuzillard Jean‐Marc 
Published: April 2017

AbstractNatural product chemistry began in Reims, France, in a pharmacognosy research laboratory whose main emphasis was the isolation and identification of bioactive molecules, following the guidelines of chemotaxonomy. The structure elucidation of new compounds of steadily increasing complexity favored the emergence of methodological work in nuclear magnetic resonance. As a result, our group was the first to report the use of proton‐detected heteronuclear chemical shift correlation spectra for the computer‐assisted structure elucidation of small organic molecules driven by atom proximity relationships and without relying on databases. The early detection of known compounds appeared as a necessity in order to deal more efficiently with complex plant extracts. This goal was reached by an original combination of mixture fractionation by centrifugal partition chromatography, analysis by 13C NMR, digital data reduction and alignment, hierarchical data clustering, and computer database search.
Electrophysiological effects of anthracyclines in adult survivors of pediatric malignancy
Authors: Markman Timothy M. , Ruble Kathryn , Loeb David , Chen Allen , Zhang Yiyi , Beasley Gary S. , Thompson W. Reid , Nazarian Saman 
Published: April 2017

AbstractBackgroundAnthracycline use is limited by cardiotoxicity, including arrhythmias and left ventricular (LV) dysfunction. We aim to characterize the association between electrophysiological changes and LV dysfunction.MethodsA retrospective chart review was conducted, including all 147 pediatric cancer survivors at our institution over 18 years of age and treated with an anthracycline. One hundred thirty‐four patients who had at least one electrocardiogram (ECG) and echocardiogram were analyzed. The association between dysfunction and baseline characteristics, treatment history, and electrocardigraphic parameters were analyzed using multivariable logistic regression. Additionally, a longitudinal generalized estimating equation (GEE) model was used to examine the temporal association between repeated measure corrected QT (QTc) intervals and subsequent LV function.ResultsIn our population, 24% of patients had LV dysfunction. The initial posttreatment QTc interval was longer in patients with LV dysfunction (438 ± 35 vs. 420 ± 20 msec, P = 0.002). In logistic regression analysis, QTc interval (P < 0.001) and cumulative radiation dose (P = 0.027) were associated with LV dysfunction. On ECGs performed prior to evidence of LV dysfunction, the QTc was longer than on ECGs preceding a normal echocardiogram (451 ± 32 msec vs. 423 ± 25 msec, P < 0.001). Mean time from QTc ≥ 450 msec to evidence of LV dysfunction was 1.8 ± 2.9 years. In the longitudinal GEE model, QTc prolongation was associated with subsequent decreased fractional shortening.ConclusionsAmong adult survivors of pediatric cancer treated with anthracyclines, prolongation of the QTc interval was associated with subsequent LV dysfunction.
Clinically relevant discordances identified after tertiary reassessment of fetuses with isolated congenital diaphragmatic hernia
Authors: Done Elisa , Gucciardo Leonardo , Van Mieghem Tim , Devriendt Koen , Allegaert Karel , Brady Paul , Devlieger Roland , De Catte Luc , Lewi Liesbeth , Deprest Jan 
Published: April 2017

AbstractObjectiveFetoscopic endoluminal tracheal occlusion (FETO) may improve outcome of severe isolated congenital diaphragmatic hernia (iCDH). We aimed to identify any discrepancy between initial assessment at the referring hospital and the evaluation at the fetal surgery center, and to document parental decisions following counseling for fetal surgery.DesignSingle center retrospective study on patients with presumed iCDH either referred for assessment and counseling or referred for fetal surgery. Discordant findings were defined as either a >10% difference in lung size, discordant liver position or associated anomalies.ResultsOutcomes from 129 consecutive assessments over 24 months were analyzed. Among fetal surgery referrals, 2% did not have CDH, and 10% had undiagnosed associated anomalies. Liver position was discordant in 7%. Thirty‐three per cent had discordant lung size. Ninety‐four per cent of patients eligible for surgery underwent FETO. In patients referred because of suspicion of CDH, associated anomalies were found in 14%. Fetal liver and lung assessments were discordant in 50% resp. 38%. Of those patients eligible for FETO, 26% requested termination. For three patients, the postnatal course was marked by a genetic or syndromic additional diagnosis.ConclusionDiscordances between initial assessment before referral and evaluation in our institution were frequent, some of them clinically relevant. © 2017 John Wiley & Sons, Ltd.
Predicting postnatal renal function of prenatally detected posterior urethral valves using fetal diffusion‐weighted magnetic resonance imaging with apparent diffusion coefficient determination
Authors: Faure Alice , Panait Nicoleta , Panuel Michel , Alessandrini Pierre , D'Ercole Claude , Chaumoitre Kathia , Merrot Thierry 
Published: April 2017

AbstractObjectiveThe objective of this study was to evaluate the accuracy of fetal diffusion‐weighted magnetic resonance imaging with apparent diffusion coefficient (ADC) determination to predict postnatal renal function (nadir creatinine at 1 year and eGFR) of men with posterior urethral valves (PUV).MethodsBetween 2003 and 2014, 11 MRI were performed on fetuses (between 28 and 32 weeks) in whom second trimester sonography suggested severe bilateral urinary tract anomalies, suspected of PUV.ResultsThe ADC of the 11 fetuses ranged from 1.3 to 2.86 mm2 s−1 (median = 1.79 mm2 s−1, normal range for fetal kidney: 1.1–1.8). Two pregnancies with ADC > 2.6 mm2 s−1 were interrupted; the autopsy confirmed PUV and Potter syndrome. For the remaining nine babies, the follow‐up was 5.4 years (0.8–10). Four children with abnormal ADC (1.8–2.3) had chronic kidney disease. The remaining five cases with normal nadir creatinine and eGFR had normal ADC. One case with unilateral elevated ADC had a poor ipsilateral renal function on dimercaptosuccinic acid scan.ConclusionHere, it seems that diffusion‐weighted magnetic resonance imaging with ADC determination could be useful in accurately evaluating fetal kidneys in PUV and predicting renal function. It may be an additional, non‐invasive method when biologic and sonographic findings are inconclusive, especially in the case of oligohydramnios. Further studies are needed to confirm our data. © 2017 John Wiley & Sons, Ltd.
Who are the support persons of haematological cancer survivors and how is their performance perceived?
Authors: Hall Alix , Lynagh Marita , Carey Mariko , Sanson‐Fisher Rob , Mansfield Elise 
Published: April 2017

AbstractObjectiveTo explore: (1) how haematological cancer survivors and their support persons perceive the overall performance of the support person; (2) disagreement between survivor and support person ratings; and (3) characteristics associated with support persons rating their performance poorly.MethodsThis is a substudy of a larger project of Australian haematological cancer survivors and their support persons. For this substudy, haematological cancer survivors were recruited from 4 Australian population‐based cancer registries and asked to pass on a questionnaire package to their support persons. Survivors who passed on a questionnaire package to their support person were asked to answer questions about the support person and how they perceived the support person's performance. Similarly, support persons answered questions on their own performance as a support person.ResultsA total of 924 haematological cancer survivors and 821 support persons were eligible for this study. Most survivors rated their support person as performing very well (84%) while less than half (48%) of support persons rated their own performance as very well. There was significant disagreement between survivor and their support person (dyad) ratings of the support person's performance. Support persons with above normal levels of depression (vs those with normal levels) had significantly higher odds of rating their own performance as “not well/somewhat well.”ConclusionsHealth care providers should consider providing additional education and skills‐based interventions to support persons who experience increased symptoms of depression.
Self‐Assembled π‐Conjugated Organic Wires with Unique Properties
Authors: Lambrecht Julia , Isenberg Carolin , Bruhn Clemens , Saragi Tobat P. I. 
Published: April 2017

AbstractWe present unique properties of self‐assembled spirobi‐fluorene‐substituted perylenetetraccarboxylic diimide wires. The wires have shown an unusual molecular packing motif beyond the typical π‐π stacking. We are also able to estimate the corresponding electron mobility. Finally, the self‐healing effect of such wires, including the reversible color change, is presented and described
Design, Synthesis and Photophysical Property of a Doubly Widened Fused‐Triazolyl‐Phenanthrene Unnatural Nucleoside
Authors: Bag Subhendu Sekhar , Das Suman Kalyan 
Published: April 2017

AbstractWe report herein the design and synthesis of a novel fused triazolyl phenanthrene nucleoside as a new generation of doubly widened hydrophobic unnatural nucleobase surrogate which shows interesting photphysical property with chrysene type emission. Molecular dynamics simulation using Schrodinger Macromodel reveals that regardless of the opposite natural bases, all the DNA duplexes containing the designed nucleoside, FTPhen, adopt right‐handed B‐form helix. A theoretical (DFT) study has also been carried out to know the stacking propensity in the context of DNA which reveals a good stabilizing property of the designed base via pairing with natural bases in trimeric DNA duplexes.
Copper(II)‐Catalyzed and Chelation‐Induced Remote C‐H Halogenation of Quinolines under Neutral Conditions
Authors: Zhang Sheng , Ullah Aziz , Yamamoto Yoshinori , Almansour Abdulrahman I. , Arumugam Natarajan , Kumar Raju Suresh , Bao Ming 
Published: April 2017

AbstractCopper(II)‐catalyzed highly regioselective halogenation of 8‐acylaminoquinolines was reported in this study. The halogenation of 8‐acylaminoquinolines proceeded smoothly in the presence of copper halide (CuBr2 or CuCl2) and potassium halide (KBr or KCl) as the catalyst and the halogen source, respectively, using oxygen in air as the terminal oxidant under neutral conditions to produce the corresponding C‐5 position halogenated products in satisfactory to good yields.
Switching the Enantioselectivities in Michael Addition of Pyrazolin‐5‐Ones to Nitroolefins by Benzoylthiourea Organocatalysts
Authors: Wang Zhenyu , Ban Shurong , Yang Mengchen , Li Qingshan 
Published: April 2017

AbstractA series ofnovel cinchonaalkaloid derived benzoylthiourea organocatalysts weresynthesized and applied as hydrogen bonding organocatalysts in the enantioselective Michael addition of pyrazolin‐5‐ones to nitroolefins. These organocatalysts promoted the Michael additions smoothly and gave the desired R or S enantiomers of the products flexibly in high yields with excellent enantioselectivities (up to 92 %ee and 89 %eerespectively) by the proper choice of organocatalysts.
Fabrication of Visible‐Light‐Responsive InVO4 for Photoreduction of CO2
Authors: Singhal Nikita , Kumar Umesh 
Published: April 2017

AbstractThe gradual rise in anthropogenic CO2 concentration in the atmosphere leads to global warming, and hence draws attention to develop different catalysts for CO2 reduction to fuel. Indium vanadate has attractive photocatalytic properties under visible light. InVO4 was synthesized by a hydrothermal method without using any organic precursor. Catalyst was well characterized with different techniques involving X‐ray diffraction, UV‐Vis diffuse reflectance spectroscopy, scanning electron microscopy, transmission electron microscopy, X‐ray photoelectron microscopy and thermal gravimetric analysis. Its catalytic performance was evaluated for photoreduction of CO2 in a batch reactor under visible light irradiation. 520 ppm of CO was obtained in presence of triethanolamine (TEOA) as an electron donor.
Cycling Fading Mechanism for a Bismuth Fluoride Electrode in a Lithium‐Ion Battery
Authors: Konishi Hiroaki , Minato Taketoshi , Abe Takeshi , Ogumi Zempachi 
Published: April 2017

AbstractThe nanocomposite of BiF3 and carbon (BiF3/C) is a promising cathode material for lithium‐ion batteries because of its high capacity. When BiF3/C was charged and discharged within voltage range of 2.0–4.5 V, the BiF3/C exhibited high capacity; however, as the cycle progressed, the discharge‐charge capacities decreased and the charge voltage shifted towards higher region. When charge cut‐off voltage was changed from 4.5 to 3.5 V, the capacity degradation was suppressed. This indicates that the cause of capacity degradation was attributed to the isolation of active material from conductive network due to the large volume change. In contrast, when discharge cut‐off condition was limited to 150 mAh g–1, the shift of charge voltage was suppressed. The results obtained by atomic force microscopy (AFM) and X‐ray photoelectron spectroscopy (XPS) indicate that the surface product which was formed by the reaction between electrolyte and Bi formed during the discharge process.
Clinical and Functional Characteristics of People With Chronic and Recent‐Onset Plantar Heel Pain
Authors: Barnes Allegra , Sullivan Justin , Pappas Evangelos , Adams Roger , Burns Joshua 
Published: April 2017

AbstractBackgroundPlantar heel pain is a common condition that reduces health‐related quality of life. Recovery usually occurs within 12 months; however, up to 20% of people remain symptomatic beyond this time frame. The level of pain and function in this chronic heel pain group is not well described.ObjectiveTo identify clinical and functional characteristics associated with chronic plantar heel pain compared with heel pain of recent onset.DesignCross‐sectional study.SettingUniversity research laboratory and private physiotherapy clinic.ParticipantsA total of 71 people with plantar heel pain for longer than 12 months and 64 people with plantar heel pain for less than 6 months were recruited from the general public.MethodsFunctional characteristics of participants in both heel pain groups were assessed with a variety of clinical measures and the Foot Health Status Questionnaire. Clinical measures included body mass index, foot and ankle muscle strength using hand‐held dynamometry, as well as ankle and first metatarsophalangeal joint range of motion. The Foot Health Status Questionnaire was used to collect self‐reported measures of foot pain severity, foot function and physical activity.Main Outcome MeasurementsUnivariate analyses of variance were performed to detect differences between the 2 groups for each of the variables measured.ResultsThe chronic heel pain group exhibited reduced ankle dorsiflexor and toe flexor strength yet better self‐reported foot function. There was no difference between groups for body mass index, ankle and first metatarsophalangeal joint range of motion, inversion strength, eversion strength, calf endurance, self‐reported foot pain, and physical activity.ConclusionsChronic plantar heel pain is associated with selective weakness of foot and ankle muscle groups but less affected foot function compared with heel pain of recent onset. Those with chronic symptoms may moderate or make adaptations to their daily activities, or simply accept their condition, enabling more effective coping. Strength deficits, although possibly a cause or consequence of chronic symptoms, suggest a need to include resistance exercise in the management of plantar heel pain.Level of EvidenceIV
Rational Versus Intuitive Processing
Authors: Krcmar Marina , Eden Allison 
Published: April 2017

Abstract. This study explored two main theoretical propositions. First, we tested Hartmann’s (2011 , 2012 ) notion that video games are processed via two separate cognitive systems: System 1, the automatic system, and System 2, the rational system. Specifically, we used a cognitive load manipulation to test if intuitive moral responses such as guilt and anthropomorphism are processed in System 1. Second, we utilized moral foundations theory to test the effect of care salience on guilt and in-game aggression. Using an experimental design ( n = 94), the results indicate that under conditions of cognitive load, players had somewhat lower in-game aggression. Effects on guilt and anthropomorphism were in the same direction, albeit with small effects. In terms of moral foundations, we found that care salience was not negatively related to in-game aggression but was directly related to guilt, indicating that greater emphasis on the moral foundation of care resulted in greater guilt. Also, anthropomorphism was positively related to experienced guilt and negatively related to in-game aggression.
The inheritance of a Mesozoic landscape in western Scandinavia
Authors: Fredin Ola , Viola Giulio , Zwingmann Horst , Sørlie Ronald , Brönner Marco , Lie Jan-Erik , Grandal Else Margrethe , Müller Axel , Margreth Annina , Vogt Christoph , Knies Jochen 
Published: April 2017

AbstractIn-situ weathered bedrock, saprolite, is locally found in Scandinavia, where it is commonly thought to represent pre-Pleistocene weathering possibly associated with landscape formation. The age of weathering, however, remains loosely constrained, which has an impact on existing geological and landscape evolution models and morphotectonic correlations. Here we provide new geochronological evidence that some of the low-altitude basement landforms on- and offshore southwestern Scandinavia are a rejuvenated geomorphological relic from Mesozoic times. K-Ar dating of authigenic, syn-weathering illite from saprolitic remnants constrains original basement exposure in the Late Triassic (221.3±7.0–206.2±4.2 Ma) through deep weathering in a warm climate and subsequent partial mobilization of the saprolitic mantle into the overlying sediment cascade system. The data support the bulk geomorphological development of west Scandinavia coastal basement rocks during the Mesozoic and later, long-lasting relative tectonic stability. Pleistocene glaciations played an additional geomorphological role, selectively stripping the landscape from the Mesozoic overburden and carving glacial landforms down to Plio–Pleistocene times. Saprolite K-Ar dating offers unprecedented possibilities to study past weathering and landscape evolution processes.
Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity
Authors: Kouno Takahide , Silvas Tania V. , Hilbert Brendan J. , Shandilya Shivender M. D. , Bohn Markus F. , Kelch Brian A. , Royer William E. , Somasundaran Mohan , Kurt Yilmaz Nese , Matsuo Hiroshi , Schiffer Celia A. 
Published: April 2017

AbstractNucleic acid editing enzymes are essential components of the immune system that lethally mutate viral pathogens and somatically mutate immunoglobulins, and contribute to the diversification and lethality of cancers. Among these enzymes are the seven human APOBEC3 deoxycytidine deaminases, each with unique target sequence specificity and subcellular localization. While the enzymology and biological consequences have been extensively studied, the mechanism by which APOBEC3s recognize and edit DNA remains elusive. Here we present the crystal structure of a complex of a cytidine deaminase with ssDNA bound in the active site at 2.2 Å. This structure not only visualizes the active site poised for catalysis of APOBEC3A, but pinpoints the residues that confer specificity towards CC/TC motifs. The APOBEC3A–ssDNA complex defines the 5′–3′ directionality and subtle conformational changes that clench the ssDNA within the binding groove, revealing the architecture and mechanism of ssDNA recognition that is likely conserved among all polynucleotide deaminases, thereby opening the door for the design of mechanistic-based therapeutics.
Notochordal and nucleus pulposus marker expression is maintained by sub-populations of adult human nucleus pulposus cells through aging and degeneration
Authors: Richardson Stephen M. , Ludwinski Francesca E. , Gnanalingham Kanna K. , Atkinson Ross A. , Freemont Anthony J. , Hoyland Judith A. 
Published: April 2017

AbstractThe nucleus pulposus (NP) of the intervertebral disc (IVD) demonstrates substantial changes in cell and matrix composition with both ageing and degeneration. While recent transcriptomic profiling studies have helped define human NP cell phenotype, it remains unclear how expression of these markers is influenced by ageing or degeneration. Furthermore, cells of the NP are thought to derive from the notochord, although adult NP lacks identifiable notochordal (NC) cells. This study aimed to confirm expression of previously identified NP and NC marker genes in adult human NP cells from a range of ages and degenerate states. Importantly, using gene expression analysis (N = 60) and immunohistochemistry (N = 56) the study demonstrates expression of NP markers FoxF1, Pax-1, keratin-8/18, carbonic anhydrase-12, and NC markers brachyury, galectin-3 and CD24 in cells of the NP irrespective of age or degeneration. Our immunohistochemical data, combined with flow cytometry (N = 5) which identified a small number of CA12+Gal3+T+CD24+ cells, suggests the possible presence of a sub-population of cells with an NC-like phenotype in adult NP tissue. These findings suggest that the NP contains a heterogeneous population of cells, which may possess varied phenotypic and functional profiles and thus warrant further investigation to improve our understanding of IVD homeostasis and repair.