bluuebunny/crossref_metadata_2025_split huggingface dataset:
Interest of the trajectory method for the evaluation of outcomes after in utero drug exposure: example of anxiolytics and hypnotics
Authors: Hurault‐Delarue Caroline , Chouquet Cécile , Savy Nicolas , Lacroix Isabelle , Beau Anna‐Belle , Montastruc Jean‐Louis , Damase‐Michel Christine 
Published: March 2017

AbstractPurposeThe aim of this study was to examine the potential benefit to take into account duration and intensity of drug exposure using the recently published method based on individual drug trajectories. This approach was used to define profiles of exposure to anxiolytics/hypnotics during pregnancy and to evaluate the potential effect on newborn health.MethodsThe study was performed in EFEMERIS database (54 918 mother–children pairs). An estimation of adaptation to extrauterine life was assessed using several criteria especially cardio‐respiratory symptoms. A proxy variable called “neonatal pathology” was created. The occurrence of this event was studied using two approaches:

The Standard Method comparing exposed and unexposed newborns,
The Trajectory Method comparing the different profiles of exposure.
ResultsAround 5% of newborns (n = 2768) were identified to be exposed to anxiolytics or hypnotics during pregnancy.Using the Standard Method, 6.2% of exposed newborns developed a “neonatal pathology” against 4.8% of unexposed newborns (odds ratios [OR] = 0.9[0.8–1.2], p = 0.7).With the Trajectory Method taking into account evolution of exposure during pregnancy and treatment intensity, four profiles of pregnant women were identified. A significant difference in the rates of “neonatal pathologies” was observed between profiles (p = 0.0002). Newborns of the two profiles exposed in utero to high constant level of anxiolytics or hypnotics were more at risk of developing “neonatal pathology” than unexposed newborns (OR1 = 2.0 [1.0–3.9] and OR2 = 7.6 [2.8–20.5]).ConclusionsThe present study demonstrates the interest of this method based on individual drug trajectories for the evaluation of outcomes in pharmaco‐epidemiological studies and more specifically during pregnancy. Copyright © 2017 John Wiley & Sons, Ltd.
Ring opening metathesis polymerization of triazole‐bearing cyclobutenes: Diblock copolymer synthesis and evaluation of the effect of side group size on polymerization kinetics
Authors: Wei Jia , Trout William , Simon Yoan C. , Granados‐Focil Sergio 
Published: March 2017

ABSTRACTCyclobutenes containing pendant groups of varying sizes were polymerized via ring opening metathesis polymerization using Grubbs catalyst 2nd generation (G2). The rate of polymerization depended on the size of the pendant groups attached to the cyclobutene rings, with longer side‐chains producing slower polymerization rates and narrower molecular weight distributions. The polymerization of these new molecules proceeded with first order kinetics, consistent with a living polymerization. Chain extension experiments produced cyclobutene‐based diblock copolymers with polydispersity indices below 1.33. The synthetic methods in this report will allow the use of G2 to access new complex polymeric architectures with a higher density of pendant groups than those derived from norbornene analogs and cyclooctene moieties. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 1929–1939
Ground Temperatures and Permafrost Warming from Forest to Tundra, Tuktoyaktuk Coastlands and Anderson Plain, NWT, Canada
Authors: Kokelj S. V. , Palmer M. J. , Lantz T. C. , Burn C. R. 
Published: March 2017

AbstractAnnual mean ground temperatures (Tg) decline northward from approximately −3.0°C in the boreal forest to −7.0°C in dwarf‐shrub tundra in the Tuktoyuktuk Coastlands and Anderson Plain, NWT, Canada. The latitudinal decrease in Tg from forest to tundra is accompanied by an increase in the range of values measured in the central, tall‐shrub tundra zone. Field measurements from 124 sites across this ecotone indicate that in undisturbed terrain Tg may approach 0°C in the forest and −4°C in dwarf‐shrub tundra. The greatest range of local variation in Tg (~7°C) was observed in the tall‐shrub transition zone. Undisturbed terrain units with relatively high Tg include riparian areas and slopes with drifting snow, saturated soils in polygonal peatlands and areas near lakes. Across the region, the warmest permafrost is associated with disturbances such as thaw slumps, drained lakes, areas burned by wildfires, drilling‐mud sumps and roadsides. Soil saturation following terrain subsidence may increase the latent heat content of the active layer, while increases in snow depth decrease the rate of ground heat loss in autumn and winter. Such disturbances increase freezeback duration and reduce the period of conductive ground cooling, resulting in higher Tg and, in some cases, permafrost thaw. The field measurements reported here confirm that minimum Tg values in the uppermost 10 m of permafrost have increased by ~2°C since the 1970s. The widespread occurrence of Tg above −3°C indicates warm permafrost exists in disturbed and undisturbed settings across the transition from forest to tundra. Copyright © 2017 Government of the Northwest Territories. Permafrost and Periglacial Processes © 2017 John Wiley & Sons, Ltd.
Bergamot (Citrus bergamia) Essential Oil Inhalation Improves Positive Feelings in the Waiting Room of a Mental Health Treatment Center: A Pilot Study
Authors: Han Xuesheng , Gibson Jacob , Eggett Dennis L. , Parker Tory L. 
Published: March 2017

Mental health issues have been increasingly recognized as public health problems globally. Their burden is projected to increase over the next several decades. Additional therapies for mental problems are in urgent need worldwide due to the limitations and costs of existing healthcare approaches. Essential oil aromatherapy can provide a cost‐effective and safe treatment for many mental problems. This pilot study observed the effects of bergamot essential oil inhalation on mental health and well‐being, as measured by the Positive and Negative Affect Scale, in a mental‐health treatment center located in Utah, USA. Fifty‐seven eligible participants (50 women, age range: 23–70 years) were included for analysis. Fifteen minutes of bergamot essential oil exposure improved participants' positive feelings compared with the control group (17% higher). Unexpectedly, more participants participated in experimental periods rather than control periods, suggesting even brief exposure to essential oil aroma may make people more willing to enroll in clinical trials. This study provides preliminary evidence of the efficacy and safety of bergamot essential oil inhalation on mental well‐being in a mental health treatment center, suggesting that bergamot essential oil aromatherapy can be an effective adjunct treatment to improve individuals' mental health and well‐being. © 2017 The Authors. Phytotherapy Research published by John Wiley & Sons Ltd.
The potential value of early (1939–1967) upper‐air data in atmospheric climate reanalysis
Authors: Hersbach Hans , Brönnimann Stefan , Haimberger Leopold , Mayer Michael , Villiger Leonie , Comeaux Joey , Simmons Adrian , Dee Dick , Jourdain Sylvie , Peubey Carole , Poli Paul , Rayner Nick , Sterin Alexander M. , Stickler Alexander , Valente Maria A. , Worley Steven J. 
Published: March 2017

In recent years a number of reanalysis datasets have been published that cover the past century or more, including the ‘Twentieth Century Reanalysis’ 20CRv2 and the European Reanalysis of the twentieth century ERA‐20C. These datasets are widely used, showing the need for, and possible benefit of, reanalysis data products designed for climate applications. The twentieth‐century reanalyses so far have assimilated only surface observations, and rely on independent estimates of monthly averaged sea‐surface temperatures and sea ice concentrations as boundary conditions. While 20CRv2 uses only observations of surface and sea‐level pressure, ERA‐20C additionally assimilates marine winds.Here we describe an experimental reanalysis, referred to as ERA‐PreSAT, which covers the period 1939–1967 and also assimilates historical upper‐air data. Assessments of this dataset including comparisons with independent data show that (i) temperature biases in the Northern Hemisphere are largely reduced compared to reanalyses that assimilate surface data only, (ii) concentration of 1940s upper‐air data in the northern extratropics created a strong interhemispheric asymmetry which is likely not realistic, (iii) the forecast skill in the Northern Hemisphere has increased substantially compared to reanalyses that assimilate surface data only, (iv) day‐to‐day and (in the northern extratropics) month‐to‐month correlations with independent observations (of total column ozone, upper‐air data) increase over time, (v) interannual variability is well captured in the reanalysis, (vi) a signature of the stratospheric Quasi‐Biennial Oscillation is present as far back as the 1940s, and (vii) tropical cyclones are not well represented.The generally encouraging results from the experimental ERA‐PreSAT reanalysis underline that early upper‐air data greatly contribute to our knowledge on the troposphere and lower stratosphere over the twentieth century.
Gas‐phase Smiles rearrangement reactions of deprotonated N‐phenylbenzamides studied by electrospray ionization tandem mass spectrometry
Authors: Li Yikun , Chai Yunfeng , Wang Lin , Pan Yuanjiang , Zeng Su , Sun Cuirong 
Published: March 2017

RationaleElectrospray ionization tandem mass spectrometry (ESI‐MSn) is an invaluable tool for the study of gas‐phase reactions. When N‐phenylbenzamide is analyzed in negative ion mode, the nucleophilic deprotonated site of nitrogen or oxygen, together with the adjacent electrophilic phenyl carbon in the same molecule, provides a useful opportunity to study the intramolecular nucleophilic reaction in the gas phase.MethodsAll MSn experiments of deprotonated N‐phenylbenzamides were conducted on an ion trap mass spectrometer using ESI in negative ion mode. The accurate masses of fragments were measured on an ESI quadrupole time‐of‐flight mass spectrometer in negative ion mode. Theoretical calculations were conducted at the B3LYP/6‐31++G(d,p) level of density functional theory using the Gaussian 03 program.ResultsWhen the polarity of the substituent on the aniline ring was changed, gas‐phase Smiles rearrangement reactions could be initiated by different atoms in the anionic center. Upon collisional activation, loss of CO from deprotonated N‐phenylbenzamides could be observed, which can be interpreted as a nitrogen anion triggering the Smiles rearrangement reaction through a three‐membered ring transition state. As the aniline ring was substituted by a strong electron‐withdrawing group (e.g., NO2, COCH3, or CF3) at the para position, a characteristic phenolate anion was obtained, which was derived from the Smiles rearrangement reaction initiated by the oxygen anion through a four‐membered ring transition state.ConclusionsIn the fragmentation of deprotonated N‐phenylbenzamides, the gas‐phase Smiles rearrangement reaction initiated by either the nitrogen or the oxygen atom can proceed. The findings in this study have not only enriched knowledge on the gas‐phase Smiles rearrangement reactions, but also provided valuable information for understanding the rearrangements of deprotonated aromatic amides in gas phase. Copyright © 2015 John Wiley & Sons, Ltd.
Formation of endohedral metallofullerene (EMF) ions of (M = La, Y, n ≤ 6, 50 ≤ 2m ≤ 194) in the laser ablation process with graphene as precursor
Authors: Kong Xianglei , Bao Xiaodi 
Published: March 2017

RationaleGraphene has proved to be a versatile precursor for the generation of mono‐endohedral metallofullerenes (EMFs) of alkali and alkali earth metal atoms. Thus, it is important to investigate whether graphene is also a good precursor for the generation of EMFs including multi‐metal atoms or some transition metal atoms.MethodsExperiments were performed on a 7.0 T Fourier transform ion cyclotron resonance (FT‐ICR) mass spectrometer. Laser ablation mass spectra were obtained by laser irradiation on mixtures of graphene and LaCl3, YCl3 or HAuCl4 on a stainless steel plate. A 355 nm Nd:YAG laser with a typical energy of 2.5 mJ/pulse was employed in these experiments. Tandem mass spectrometry was performed by on‐resonance excitation collision‐induced dissociation (CID) for selected single isotopic peaks.ResultsMetallofullerene
/
ions were observed in the laser ablation mass spectra of mixtures of graphene and LaCl3/YCl3. CID and reactant gas experiments on selected ions showed that these ions had endohedral structures. Considering the experimental condition applied here, a mechanism based on a top‐down process for the generation of the EMF ions is suggested. Further experiments on HAuCl4 showed some weak signals of
for the first time.ConclusionsMono‐ and multi‐EMF ions of
(M = La, Y, n = 1–6, 50 ≤ 2 m ≤ 194) were generated by laser ablation of graphene and the corresponding metal salts and detected by FT‐ICR mass spectrometry. The results have shed light on the formation and generation of some new EMF species. Copyright © 2017 John Wiley & Sons, Ltd.
Versatility of Bis(2‐pyridyl)ditellane
Authors: da Silva Felipe D. , Simões Claudia A. D. P. , S. dos Santos Sailer , Lang Ernesto S. 
Published: March 2017

AbstractThe different nature of the Te and N binding sites of bis(2‐pyridyl)ditellane ‐ oPy2Te2 ‐ (1) in reactions with halogen, hydrohalic acids and a metal salt were explored in this work in order to obtain seven compounds: HoPyTeCl2 (2), HoPyTeBr2 (3), oPyTeI (4), HoPyTeI2 (5), HoPyTeI4 (6), MeoPyTeI2 (7), and [oPyTeCuCl]2 (8). The compounds were structurally characterized by X‐ray diffraction, which revealed, in almost all of the compounds, the presence of hypervalent chalcogen adducts containing a formal negative charge located on the TeII or TeIV atom stabilized by the protonated (2, 3, and 5) and methylated (7) pyridyl group. Compound 4 has a dimeric structure built up by association of highly unstable monomeric ArTeX units (X=Cl, Br, I) through Te‐N interactions while compound 8 is a binuclear coordination complex, in which 1 behaves as a tridentate ligand, with κ2N2, Te8 coordination for one CuI ion and κN10 coordination for the other CuI ion.
Modified Sonogashira Coupling Strategy For the Functionalization of Substituted Quinoline
Authors: Shaikh Mohammedumar M. , Bhutiya Priyank L. , Chikhalia Kishor H. 
Published: March 2017

AbstractModified and efficient sonogashira coupling reaction tactic has been developed for the functionalization of quinoline motif at different position. Copper‐, amine‐ and ligand free synthetic strategy make this reaction more advance and beneficiary synthetic tool for the functionalization of quinoline pharmacophore than the previously reported. In dihaloquinoline, first halogen was blocked by employing nucleophilic substitution reaction with different heterocycles whereas remaining halogen was subjected for modified sonogashira synthetic strategy.
Stress and adult smartphone addiction: Mediation by self‐control, neuroticism, and extraversion
Authors: Cho Hea‐Young , Kim Dai Jin , Park Jae Woo 
Published: March 2017

AbstractThis study employed descriptive statistics and correlation analysis to examine the influence of stress on smartphone addiction as well as the mediating effects of self‐control, neuroticism, and extraversion using 400 men and women in their 20s to 40s followed by structural equation analysis. Our findings indicate that stress had a significant influence on smartphone addiction, and self‐control mediates the influence of stress on smartphone addiction. As stress increases, self‐control decreases, which subsequently leads to increased smartphone addiction. Self‐control was confirmed as an important factor in the prevention of smartphone addiction. Finally, among personality factors, neuroticism, and extraversion mediate the influence of stress on smartphone addiction.
Instructional Interactions: Supporting Students’ Reading Development Through Interactive Read‐Alouds of Informational Texts
Authors: McClure Erin L. , Fullerton Susan King 
Published: March 2017

AbstractThis article provides classroom examples of how interactive read‐alouds of informational texts facilitate collaborative and respectful discussions that promote literacy learning. Several specific considerations for making interactive read‐alouds engaging and successful are presented in an effort to support educators in capitalizing on this effective instructional practice.
From Surviving to Thriving: Four Research‐Based Principles to Build Students’ Reading Interest
Authors: Springer Sheree E. , Harris Samantha , Dole Janice A. 
Published: March 2017

AbstractIn an educational climate in which many teachers may feel the tension between achieving grade‐level literacy standards and creating lifelong readers, interest can be a powerful mediator that impacts students’ cognitive and affective experiences with reading. This practical article presents four research‐based principles of reading interest—individual interests, situational interest, text‐based interest, and interest regulation—and describes how each can be used and implemented in the classroom to nurture motivated and resilient readers.
The ‘dirty dozen’ of freshwater science: detecting then reconciling hydrological data biases and errors
Authors: Wilby Robert L. , Clifford Nicholas J. , De Luca Paolo , Harrigan Shaun , Hillier John K. , Hodgkins Richard , Johnson Matthew F. , Matthews Tom K.R. , Murphy Conor , Noone Simon J. , Parry Simon , Prudhomme Christel , Rice Steve P. , Slater Louise J. , Smith Katie A. , Wood Paul J. 
Published: March 2017

Sound water policy and management rests on sound hydrometeorological and ecological data. Conversely, unrepresentative, poorly collected, or erroneously archived data introduce uncertainty regarding the magnitude, rate, and direction of environmental change, in addition to undermining confidence in decision‐making processes. Unfortunately, data biases and errors can enter the information flow at various stages, starting with site selection, instrumentation, sampling/measurement procedures, postprocessing and ending with archiving systems. Techniques such as visual inspection of raw data, graphical representation, and comparison between sites, outlier, and trend detection, and referral to metadata can all help uncover spurious data. Tell‐tale signs of ambiguous and/or anomalous data are highlighted using 12 carefully chosen cases drawn mainly from hydrology (‘the dirty dozen’). These include evidence of changes in site or local conditions (due to land management, river regulation, or urbanization); modifications to instrumentation or inconsistent observer behavior; mismatched or misrepresentative sampling in space and time; treatment of missing values, postprocessing and data storage errors. Also for raising awareness of pitfalls, recommendations are provided for uncovering lapses in data quality after the information has been gathered. It is noted that error detection and attribution are more problematic for very large data sets, where observation networks are automated, or when various information sources have been combined. In these cases, more holistic indicators of data integrity are needed that reflect the overall information life‐cycle and application(s) of the hydrological data. WIREs Water 2017, 4:e1209. doi: 10.1002/wat2.1209This article is categorized under:

Science of Water > Methods
Science of Water > Water and Environmental Change
Computational design of two‐dimensional topological materials
Authors: Wang Z. F. , Jin Kyung‐Hwan , Liu Feng 
Published: March 2017

The progress in science and technology is largely boosted by the continuous discovery of new materials. In recent years, the state‐of‐art first‐principles computational approach has emerged as a vital tool to enable materials discovery by designing a priori unknown materials as well as unknown properties of existing materials that are subsequently confirmed by experiments. One notable example is the rapid development of the field of topological materials, where new candidates of topological materials are often predicted and/or designed before experimental synthesis and characterization. Topological phases of condensed mater not only represent a significant advance in the fundamental understanding of material properties but also hold promising applications in quantum computing and spintronics. In this article, we will give an overview of recent progress in computational design of two‐dimensional topological materials and an outlook of possible future research directions. WIREs Comput Mol Sci 2017, 7:e1304. doi: 10.1002/wcms.1304This article is categorized under:

Electronic Structure Theory > Density Functional Theory
Residual signal feature extraction for gearbox planetary stage fault detection
Authors: Skrimpas Georgios Alexandros , Ursin Thomas , Sweeney Christian , Marhadi Kun , Mijatovic Nenad , Holboell Joachim 
Published: March 2017

AbstractFaults in planetary gears and related bearings, e.g. planet bearings and planet carrier bearings, pose inherent difficulties on their accurate and consistent detection associated mainly to the low energy in slow rotating stages and the operating complexity of planetary gearboxes. In this work, statistical features measuring the signal energy and Gaussianity are calculated from the residual signals between each pair from the first to the fifth tooth mesh frequency of the meshing process in a multi‐stage wind turbine gearbox. The suggested algorithm includes resampling from time to angular domain, identification of the expected spectral signature for proper residual signal calculation and filtering of any frequency component not related to the planetary stage. Two field cases of planet carrier bearing defect and planet wheel spalling are presented and discussed, showing the efficiency of the followed approach and the possibility of characterizing a fault as localized or distributed. Copyright © 2017 John Wiley & Sons, Ltd.
Fatigue assessment of offshore wind turbines on monopile foundations using multi‐band modal expansion
Authors: Iliopoulos Alexandros , Weijtjens Wout , Van Hemelrijck Danny , Devriendt Christof 
Published: March 2017

AbstractOffshore wind turbines (OWTs) are subjected to both quasi‐static loads originating from variations in the thrust force and dynamic loads linked to turbulence, waves and turbine dynamics. Both types of loads contribute to fatigue life progression and thus define the turbine's age. As a structural health monitoring solution, one could thus directly measure the stress history at fatigue critical locations. However, for OWTs on monopile foundations some fatigue critical locations are located below the seabed. Installing strain sensors at these hotspots is therefore impossible for existing wind turbines. This measurement restriction is overcome by reconstructing the full‐field response of the structure based on the limited number of accelerometers and strain sensors (installed at a few easily accessible locations) and a calibrated finite element model of the system. The system model uses a multi‐band modal expansion approach constituted of the quasi‐static and dynamic contributions. These contributions are superimposed to reconstruct the stress history at all degrees of freedom of the finite element model, and the subsequent assess fatigue life consumption at all fatigue hot spots of the OWT. In this paper, the proposed virtual sensing technique is validated by predicting the stresses in the transition piece with 12 days of consecutive measurements from an operational OWT. The data set contains both variations in environmental and operating conditions as well as extreme events. Finally, a full‐field strain assessment in the tower and foundation system of the OWT is demonstrated. Copyright © 2017 John Wiley & Sons, Ltd.