bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pro‐inflammatory mediator responses from neonatal airway epithelial cells and early childhood wheeze
Authors: Turner Steve , Miller David , Walsh Garry M. , Scaife Alison , Power Ultan F. , Shields Michael D. , Devereux Graham 
Published: November 2017

AbstractBackgroundAirway epithelial cell (AEC) function differs between children with and without asthma. Here, we associated neonatal AEC function with asthma symptoms at 4 years of age.MethodsNasal AEC were collected from neonates within 48 h of birth. Cells were cultured and stimulated with tumor necrosis factor alpha/interleukin‐1 beta (TNFα/IL‐1β), lipopolysaccharide (LPS), or house dust mite (HDM). Absolute concentrations of pro‐inflammatory mediators in the culture supernatant were quantified and expressed as median [interquartile range] in pg/mg protein. A parent‐completed respiratory questionnaire was returned when the child was 4 years old.ResultsAEC were successfully cultured in 139 neonates, of whom 120 were contacted at 4 years and 91 (76%) questionnaires were returned. Sixteen children had wheezed ever and 11 had recent wheeze. At birth, when compared to those with no recent wheeze, supernatants from cultured neonatal AEC from the children with recent wheeze had reduced median IL‐8 (CXCL8) release after treatment with culture medium alone (P = 0.049), with TNFα/IL‐1β (P < 0.001) and LPS (P = 0.004). Additionally, and when compared to those with no recent wheeze, 4 year olds with recent wheeze had reduced neonatal AEC release of IL‐6 (P = 0.013), GMCSF (P = 0.012), and ICAM‐1 (P = 0.017) after treatment with TNFα/IL‐1β and reduced release of ICAM‐1 (P = 0.038) and RANTES (P = 0.042) after treatment with HDM.ConclusionsAbnormalities in AEC function are present at birth before the onset of childhood wheeze. The relationship between reduced AEC function at birth and wheeze at 4 years was not exclusive, suggesting that post‐natal factors are required for the AEC abnormality to translate into symptoms.
Assessment of hard target modeling in CASP12 reveals an emerging role of alignment‐based contact prediction methods
Authors: Abriata Luciano A. , Tamò Giorgio E. , Monastyrskyy Bohdan , Kryshtafovych Andriy , Dal Peraro Matteo 
Published: November 2017

AbstractWe present our assessment of CASP12 modeling efforts for targets with no obvious templates of high sequence/structure similarity in the PDB, that is for evaluation units of the free modeling (FM) and free modeling/template‐based modeling (FM/TBM) categories. Models were clustered and ranked using the Global Distance Test‐Total Score and 5 additional metrics developed in previous CASP rounds, producing short lists of models that were subject to visual inspection in comparison to the target structures. The whole procedure was implemented as a web app that facilitates model selection and visual inspection, and could become useful to facilitate and standardize future assessments. We describe cases of (1) targets with remarkably good predictions, (2) targets whose models captured some global shape and topology features, and (3) targets for which models fail to capture even coarse features. We note that despite this CASP being among the most challenging ones, a measurable improvement of the top predictions is apparent, that we attribute to the emergence of accurate contact prediction methods and the increased number of available sequences. We also briefly discuss current limitations in tertiary structure prediction exemplified by CASP12 targets. Overall, the Baker, Zhang, and Lee manual groups and servers were identified as the top global performing groups.
Dioxygenation of metal(II)‐cysteinato complexes in CDO biomimetic models: Can ruthenium and osmium reach iron performances?
Authors: Alberto Marta Erminia , Di Tommaso Stefania , Ricca Chiara , Ciofini Ilaria , Adamo Carlo 
Published: November 2017

AbstractThe use of biomimetic complexes is a common strategy adopted to obtain valuable information on enzymatic structures and functions. Following our previous investigation on the dioxygenation process of a cysteinato ligand by an efficient [TpMe,Ph FeCysOEt] cysteine dioxygenase (CDO) biomimetic complex, a detailed DFT study is herein presented on two modified systems in which Fe(II) has been replaced by either Ru(II) or Os(II). The reaction mechanism by which such compounds catalyze the formation of cysteine sulfinic acid is fully elucidated and compared with the previous findings on Fe(II)‐system. Contrary to what observed for iron, the reaction proceed via multistate reactivity patterns on competing singlet and triplet spin state surfaces. The outcomes of the present investigation allow to assess the changes in the whole process and the difference in reactivity on modification of the metal center while simultaneously revealing the crucial role played by iron in the original enzymatic mimetic.
A quantum‐chemical DFT study of the mechanism and regioselectivity of the 1,3‐dipolar cycloaddition reaction of nitrile oxide with electron‐rich ethylenes
Authors: Yahia Wassila , Khorief Nacereddine Abdelmalek , Liacha Messaoud , Djerourou Abdelhafid 
Published: November 2017

AbstractThe 1,3‐dipolar cycloaddition (13DC) reactions of nitrile‐oxide NO 1 with two ethylenes, enamine 2a and enamine 2b, were computationally studied using B3LYP/6‐31G(d) DFT methods. The two possible ortho and meta regioselective channels were characterized and analyzed. The moderate polarity of these 13DC reactions is related to the high nucleophilic character of both ethylenes, and the moderate electrophilic nature of the NO 1, that accounts for the relatively low calculated activation energies. Analysis of different forms of energies along the different reaction channels indicates that the present 13DC reactions are completely ortho regioselective, accordingly to the experimental outcomes. Electron localization function analysis indicates that these 13DC reactions proceed via a nonconcerted (two‐stage) one‐step mechanism.
Computational study of SN2 reactions promoted by crown ether: Contact ion pair versus solvent‐separated ion pair mechanism
Authors: Lee Sung‐Sik , Jadhav Vinod H. , Kim Ji‐Young , Kim Su‐Jin , Kim Dong Wook , Lee Sungyul 
Published: November 2017

AbstractWe examined by quantum chemical methods the mechanism of SN2 reaction using metal bromide MBr (M = Na, K, Cs) and KX (X= F, Cl) in CH3CN promoted by crown ether (18‐crown‐6). We focus on whether the metal salts react as a contact ion pair (CIP; M+ and X– in close contact) or as a solvent‐separated ion pair (SSIP; M+ and X– at large distance). In SSIP mechanism, X– is removed far enough from M+ for the metal salt to be considered as “separated” by the effects of the crown ether and the solvent. In the CIP picture, conversely, the coordination of 18‐crown‐6 to M+ is not sufficient to overcome the powerful Coulombic interactions between M+ and X–. We find that the CIP route is favored for SN2 bromination processes using MBr (M = Na, K, Cs). For SN2 reaction using KF, the feasibility of the two pathways is essentially equal, whereas for SN2 chlorination by KCl the SSIP route is predicted to be favored.
Effectiveness of different pre‐treatments in recovering pre‐burial isotopic ratios of charred plants
Authors: Brinkkemper O. , Braadbaart F. , van Os B. , van Hoesel A. , van Brussel A.A.N. , Fernandes R. 
Published: November 2017

RationaleIsotopic analysis of archaeological charred plant remains offers useful archaeological information. However, adequate sample pre‐treatment protocols may be necessary to provide a contamination‐free isotopic signal while limiting sample loss and achieving a high throughput. Under these constraints, research was undertaken to compare the performance of different pre‐treatment protocols.MethodsCharred archaeological plant material was selected for isotopic analysis (δ13C and δ15N values) by isotope ratio mass spectrometry from a variety of plant species, time periods and soil conditions. Preservation conditions and the effectiveness of cleaning protocols were assessed through Fourier transform infrared spectroscopy and X‐ray fluorescence (XRF) spectrometry. An acid–base–acid protocol, successfully employed in radiocarbon dating, was used to define a contamination‐free isotopic reference. Acid–base–acid isotopic measurements were compared with those obtained from untreated material and an acid‐only protocol.ResultsThe isotopic signals of untreated material and the acid‐only protocol typically did not differ more than 1‰ from those of the acid–base–acid reference. There were no significant isotopic offsets between acid–base–acid and acid‐only or untreated samples. Sample losses in the acid–base–acid protocol were on average 50 ± 17% (maximum = 98.4%). Elemental XRF measurements showed promising results in the detection of more contaminated samples albeit with a high rate of false positives.ConclusionsFor the large range of preservation conditions described in the study, untreated charred plant samples, water cleaned of sediments, provide reliable stable isotope ratios of carbon and nitrogen. The use of pre‐treatments may be necessary under different preservation conditions or more conservative measurement uncertainties should be reported.
High school students’ evaluations, plausibility (re) appraisals, and knowledge about topics in Earth science
Authors: Lombardi Doug , Bickel Elliot S. , Bailey Janelle M. , Burrell Shondricka 
Published: November 2017

AbstractEvaluation is an important aspect of science and is receiving increasing attention in science education. The present study investigated (1) changes to plausibility judgments and knowledge as a result of a series of instructional scaffolds, called model–evidence link activities, that facilitated evaluation of scientific and alternative models in four different Earth science topics (climate change, fracking and earthquakes, wetlands and land use, and the formation of Earth’s Moon) and (2) relations between evaluation, plausibility reappraisal, and knowledge. Repeated measure multivariate analyses of variance (MANOVAs) showed that participants’ plausibility judgments shifted toward scientifically accepted explanations and increased their knowledge about relevant Earth science topics after participating in the activities. Structural equation modeling revealed that 10% of the postinstructional knowledge scores were related to participants’ evaluations, above and beyond background knowledge, which accounted for 26% of the variance. The activities used in this study may help students develop their critical thinking skills by facilitating evaluation of the validity of explanations based on evidence, a scientific practice that is key to understanding both scientific content and science as a process. However, results from the study were modest and suggest that additional research, from both theoretical and empirical perspectives, may be warranted.
Experiences and practices of evolution instructors at Christian universities that can inform culturally competent evolution education
Authors: Barnes M. Elizabeth , Brownell Sara E. 
Published: November 2017

AbstractStudents’ religious beliefs and religious cultures have been shown to be the main factors predicting whether they will accept evolution, yet college biology instructors teaching evolution at public institutions often have religious beliefs and cultures that are different from their religious students. This difference in religious beliefs and cultures may be a barrier to effective evolution education. To explore when evolution instructors have similar religious cultures and beliefs as their students, we interviewed 32 evolution instructors at Christian universities nationwide about their practices and experiences teaching evolution. Christian university instructors emphasized teaching for acceptance of evolution while holding an inclusive teaching philosophy that they perceived led to a safe environment for students. Additionally, almost all instructors reported using practices that have been shown to increase student acceptance of evolution and reduce student conflict between evolution and religion. Further, we found that these instructors perceived that their own religious backgrounds have guided their decisions to teach evolution to their students in a culturally competent way. We discuss how these data, combined with past research literature on public college instructors, indicate that cultural competence could be a useful new framework for promoting effective evolution education in higher education institutions.
Understanding of Twisted Intramolecular Charge Transfer and Solid‐State Emission Behavior of Benzimidazole Derivatives
Authors: Sharma Shilpa , Gupta Ankush , Pradeep Chullikkattil. P. , Dhir Abhimanew 
Published: November 2017

AbstractWe designed and synthesized benzimidazole based derivatives 3 and 5, having dansyl and naphthalene moieties respectively. This structural difference leads to strong change in the photo‐physical properties of derivatives 3 bearing dansyl and 5 having naphthalene moiety. Interestingly, incorporation of dansyl group to benzimidazole moiety endows twisted intramolecular charge transfer (TICT), solid state and tunable color emission in derivative 3. The results have been explained with the help of fluorescence, X‐ray crystal data, computational, electrochemical and thermal studies.
Connecting and creating: tertius iungens, individual creativity, and strategic decision processes
Authors: Kauppila Olli‐Pekka , Bizzi Lorenzo , Obstfeld David 
Published: November 2017

Research Summary: In contrast to previous research that emphasized macro‐to‐macro relationships, this study investigates how strategic decision characteristics shape the creative process at the organizational micro‐level. Whereas individual creativity thrives on novel combinations of diverse knowledge and perspectives, we argue that the characteristics of strategic decisions influence the extent to which employees’ combinatory activities enhance their creativity. Multilevel modeling results based on 638 employees from 34 organizations show that the positive relationship between tertius iungens (TI) orientation and creative performance is reinforced by strategic decision comprehensiveness, especially when coupled with low strategic decision speed. The results suggest that, paradoxically, when top managers consider a narrower range of options and act more quickly to respond to challenges in the external environment, they risk constraining creative processes within the organization.Managerial Summary: To innovate, managers are often advised to make strategic decisions based on changes in their external business environment. Our research suggests that managers should also consider how strategic decision‐making enables the social processes through which employees generate creative ideas essential to organizational innovation. Our results show that employees who bring people in their network and their diverse ideas together (i.e., the tertius iungens [TI] orientation) tend to improve creative performance. However, for those employees is it easier to develop creative ideas when strategic decisions are comprehensive and slow? Paradoxically, when top managers consider a narrower range of options and act more quickly to respond to challenges in the external environment, they risk constraining the social processes that lead to creativity within the organization.
Tunable Energy Landscapes to Control Pathway Complexity in Self‐Assembled N‐Heterotriangulenes: Living and Seeded Supramolecular Polymerization
Authors: Valera Jorge S. , Gómez Rafael , Sánchez Luis 
Published: November 2017

AbstractHerein, the synthesis and self‐assembling features of N‐heterotriangulenes 1–3 decorated in their periphery with 3,4,5‐trialkoxy‐N‐(alkoxy)benzamide moieties that enable kinetic control of the supramolecular polymerization process are described. The selection of an appropriate solvent results in a tunable energy landscape in which the relative energy of the different monomeric or aggregated species can be regulated. Thus, in a methylcyclohexane/toluene (MCH/Tol) mixture, intramolecular hydrogen‐bonding interactions in the peripheral side units favor the formation of metastable inactivated monomers that evolve with time at precise conditions of concentration and temperature. A pathway complexity in the supramolecular polymerization of 1–3 cannot be determined in MCH/Tol mixtures but, importantly, this situation changes by using CCl4. In this solvent, the off‐pathway product is a face‐to‐face H‐type aggregate and the on‐pathway product is the slipped face‐to‐face J‐type aggregate. The autocatalytic transformation of the metastable monomeric units, as well as the two competing off‐ and on‐pathway aggregates allow the realization of seeded and living supramolecular polymerizations. Interestingly, the presence of chiral, branched side chains in chiral (S)‐2 noticeably retards the kinetics of the investigated transformations. This work brings to light the relevance of controlling the pathway complexity in self‐assembling units and opens new avenues for the investigation of complex and functional supramolecular structures.
Oolong tea prevents cardiomyocyte loss against hypoxia by attenuating p‐JNK mediated hypertrophy and enhancing P‐IGF1R, p‐akt, and p‐Badser136 activity and by fortifying NRF2 antioxidation system
Authors: Shibu Marthandam Asokan , Kuo Chia‐Hua , Chen Bih-Cheng , Ju Da-Tong , Chen Ray‐Jade , Lai Chao‐Hung , Huang Pei‐Jane , Viswanadha Vijaya Padma , Kuo Wei‐Wen , Huang Chih‐Yang 
Published: November 2017

AbstractTea, the most widely consumed natural beverage has been associated with reduced mortality risk from cardiovascular disease. Oolong tea is a partially fermented tea containing high levels of catechins, their degree of oxidation varies between 20%‐80% causing differences in their active metabolites. In this study we examined the effect of oolong tea extract (OTE) obtained by oxidation at low‐temperature for short‐time against hypoxic injury and found that oolong tea provides cyto‐protective effects by suppressing the JNK mediated hypertrophic effects and by enhancing the innate antioxidant mechanisms in neonatal cardiomyocytes and in H9c2 cells. OTE effectively attenuates 24 h hypoxia‐triggered cardiomyocyte loss by suppressing caspase‐3‐cleavage and apoptosis in a dose‐dependent manner. OTE also enhances the IGFIR/p‐Akt associated survival‐mechanism involving the elevation of p‐Badser136 in a dose‐dependent manner to aid cellular adaptations against hypoxic challenge. The results show the effects and mechanism of Oolong tea to provide cardio‐protective benefits during hypoxic conditions.
Skin
Authors: Wallis Jennifer 
Published: November 2017

Abstract
In this chapter Wallis discusses how late-Victorian asylum doctors investigated and treated skin conditions, and what they believed these told them about the impact of mental disease on the body. Against a background of the growth of dermatology in the nineteenth century, this chapter reveals how disorders of the skin could affect asylum patients’ subjective experiences of the world, as well as exploring the place of practices such as surgery and phototherapy in the asylum. In addition, ‘Skin’ considers the role of medical photography in the nineteenth century asylum—of photographs as important items for teaching and sharing information about mental disease—including contemporary and present-day concerns about the ethics of photographing asylum patients.
The Lexis Diagram
Authors: Rau Roland , Bohk-Ewald Christina , Muszyńska Magdalena M. , Vaupel James W. 
Published: November 2017

AbstractThe second chapter specifies how a Lexis diagram is constructed and shows that cohorts are depicted on the 45∘ line. It briefly discusses the so-called identification problem of standard methods of age-, period-, and cohort analysis and explains how those effects look like in the Lexis diagram. The chapter concludes with a brief history of the depiction of population dynamics in three dimensions.
Data and Software
Authors: Rau Roland , Bohk-Ewald Christina , Muszyńska Magdalena M. , Vaupel James W. 
Published: November 2017

AbstractThis chapter describes the major data sets used in this monograph: The Human Mortality Database, data from the National Center for Health Statistics of the United States for the analysis of causes of death, and the individual-level, longitudinal data of the Surveillance, Epidemiology, and End Results (SEER) program of the National Cancer Institute of the United States. The latter is used to illustrate the dynamics of cancer survival.
Surface Plots of Observed Death Rates
Authors: Rau Roland , Bohk-Ewald Christina , Muszyńska Magdalena M. , Vaupel James W. 
Published: November 2017

AbstractThe chapter on observed death rates illustrates why demographic rates need to be adjusted by the number of person years lived and shows surface maps of such “raw” death rates for a few selected national populations. One can easily see that random fluctuations can turn out be problematic for smaller populations as they may lead to misinterpretations.
Long‐Term Follow‐Up After Non‐operative Management of Blunt Splenic and Liver Injuries: A Questionnaire‐Based Survey
Authors: Moreno Peter , Von Allmen Matthias , Haltmeier Tobias , Candinas Daniel , Schnüriger Beat 
Published: November 2017

AbstractBackgroundNon‐operative management (NOM) of blunt splenic or liver injuries (solid organ injury, SOI) has become the standard of care in hemodynamically stable patients. However, the incidence of long‐term symptoms in these patients is currently not known. The aim of this study was to assess long‐term symptoms in patients undergoing successful NOM (sNOM) for SOI.MethodsLong‐term posttraumatic outcomes including chronic abdominal pain, irregular bowel movements, and recurrent infections were assessed using a specifically designed questionnaire and analyzed by univariable analysis.ResultsEighty out of 138 (58%) patients with SOI undergoing sNOM) responded to the questionnaire. Median (IQR) follow‐up time was 48.8 (28) months. Twenty‐seven (34%) patients complained of at least one of the following symptoms: 17 (53%) chronic abdominal pain, 13 (41%) irregular bowel movements, and 8 (25%) recurrent infections. One female patient reported secondary infertility. No significant association between the above‐mentioned symptoms and the Injury Severity Score, amount of hemoperitoneum, or high‐grade SOI was found. Patients with chronic pain were significantly younger than asymptomatic patients (32.1 ± 14.5 vs. 48.3 ± 19.4 years, p = 0.002). Irregular bowel movements were significantly more frequent in patients with severe pelvic fractures (15.4 vs. 0.0%, p = 0.025). A trend toward a higher frequency of recurrent infections was found in patients with splenic injuries (15.9 vs. 2.8%, p = 0.067).ConclusionA third of patients with blunt SOI undergoing sNOM reported long‐term abdominal symptoms. Younger age was associated with chronic abdominal symptoms. More studies are warranted to investigate long‐term outcomes immunologic sequelae in patients after sNOM for SOI.