bluuebunny/crossref_metadata_2025_split huggingface dataset:
Modeled Full‐Flight Aircraft Emissions Impacts on Air Quality and Their Sensitivity to Grid Resolution
Authors: Vennam L. P. , Vizuete W. , Talgo K. , Omary M. , Binkowski F. S. , Xing J. , Mathur R. , Arunachalam S. 
Published: December 2017

AbstractAviation is a unique anthropogenic source with four‐dimensional varying emissions, peaking at cruise altitudes (9–12 km). Aircraft emission budgets in the upper troposphere lower stratosphere region and their potential impacts on upper troposphere and surface air quality are not well understood. Our key objective is to use chemical transport models (with prescribed meteorology) to predict aircraft emissions impacts on the troposphere and surface air quality. We quantified the importance of including full‐flight intercontinental emissions and increased horizontal grid resolution. The full‐flight aviation emissions in the Northern Hemisphere contributed ~1.3% (mean, min–max: 0.46, 0.3–0.5 ppbv) and 0.2% (0.013, 0.004–0.02 μg/m3) of total O3 and PM2.5 concentrations at the surface, with Europe showing slightly higher impacts (1.9% (O3 0.69, 0.5–0.85 ppbv) and 0.5% (PM2.5 0.03, 0.01–0.05 μg/m3)) than North America (NA) and East Asia. We computed seasonal aviation‐attributable mass flux vertical profiles and aviation perturbations along isentropic surfaces to quantify the transport of cruise altitude emissions at the hemispheric scale. The comparison of coarse (108 × 108 km2) and fine (36 × 36 km2) grid resolutions in NA showed ~70 times and ~13 times higher aviation impacts for O3 and PM2.5 in coarser domain. These differences are mainly due to the inability of the coarse resolution simulation to capture nonlinearities in chemical processes near airport locations and other urban areas. Future global studies quantifying aircraft contributions should consider model resolution and perhaps use finer scales near major aviation source regions.
Mechanisms Governing Interannual Variability of Stratosphere‐to‐Troposphere Ozone Transport
Authors: Albers John R. , Perlwitz Judith , Butler Amy H. , Birner Thomas , Kiladis George N. , Lawrence Zachary D. , Manney Gloria L. , Langford Andrew O. , Dias Juliana 
Published: December 2017

AbstractFactors governing the strength and frequency of stratospheric ozone intrusions over the Pacific‐North American region are considered for their role in modulating tropospheric ozone on interannual timescales. The strength of the association between two major modes of climate variability—the El Niño–Southern Oscillation (ENSO) and the Northern Annular Mode (NAM)—and the amount of ozone contained in stratospheric intrusions are tested in the context of two mechanisms that modulate stratosphere‐to‐troposphere transport (STT) of ozone: (StratVarO3) the winter season buildup of ozone abundances in the lowermost stratosphere (LMS) and (JetVar) Pacific jet and wave breaking variability during spring. In essence, StratVarO3 corresponds to variability in the amount of ozone per intrusion, while JetVar governs the frequency of intrusions. The resulting analysis, based on two different reanalysis products, suggests that StratVarO3 is more important than JetVar for driving interannual variations in STT of ozone over the Pacific‐North American region. In particular, the abundance of ozone in the LMS at the end of winter is shown to be a robust indicator of the amount of ozone that will be contained in stratospheric intrusions during the ensuing spring. Additionally, it is shown that the overall strength of the winter season stratospheric NAM is a useful predictor of ozone intrusion strength. The results also suggest a nuanced relationship between the phase of ENSO and STT of ozone. While ENSO‐related jet variability is associated with STT variability, it is wave breaking frequency rather than typical ENSO teleconnection patterns that is responsible for the ENSO‐STT relationship.
The Impact of Cross‐track Infrared Sounder (CrIS) Cloud‐Cleared Radiances on Hurricane Joaquin (2015) and Matthew (2016) Forecasts
Authors: Wang Pei , Li Jun , Li Zhenglong , Lim Agnes H. N. , Li Jinlong , Schmit Timothy J. , Goldberg Mitchell D. 
Published: December 2017

AbstractHyperspectral infrared (IR) sounders provide high vertical resolution atmospheric sounding information that can improve the forecast skill in numerical weather prediction. Commonly, only clear radiances are assimilated, because IR sounder observations are highly affected by clouds. A cloud‐clearing (CC) technique, which removes the cloud effects from an IR cloudy field of view (FOV) and derives the cloud‐cleared radiances (CCRs) or clear‐sky equivalent radiances, can be an alternative yet effective way to take advantage of the thermodynamic information from cloudy skies in data assimilation. This study develops a Visible Infrared Imaging Radiometer Suite (VIIRS)‐based CC method for deriving Cross‐track Infrared Sounder (CrIS) CCRs under partially cloudy conditions. Due to the lack of absorption bands on VIIRS, two important quality control steps are implemented in the CC process. Validation using VIIRS clear radiances indicates that the CC method can effectively obtain the CrIS CCRs for FOVs with partial cloud cover. To compare the impacts from assimilation of CrIS original radiances and CCRs, three experiments are carried out on two storm cases, Hurricane Joaquin (2015) and Hurricane Matthew (2016), using Gridpoint Statistical Interpolation assimilation system and Weather Research and Forecasting‐Advanced Research Version models. At the analysis time, more CrIS observations are assimilated when using CrIS CCRs than with CrIS original radiances. Comparing temperature, specific humidity, and U/V winds with radiosondes indicates that the data impacts are growing larger with longer time forecasts (beyond 72 h forecast). Hurricane track forecasts also show improvements from the assimilation of CrIS CCRs due to better weather system forecasts. The impacts of CCRs on intensity are basically neutral with mixed positive and negative results.
Enhanced Capacity and Rate Capability of Nitrogen/Oxygen Dual‐Doped Hard Carbon in Capacitive Potassium‐Ion Storage
Authors: Yang Jinlin , Ju Zhicheng , Jiang Yong , Xing Zheng , Xi Baojuan , Feng Jinkui , Xiong Shenglin 
Published: December 2017

AbstractThe intercalation of potassium ions into graphite is demonstrated to be feasible, while the electrochemical performance of potassium‐ion batteries (KIBs) remains unsatisfying. More effort is needed to improve the specific capacity while maintaining a superior rate capability. As an attempt, nitrogen/oxygen dual‐doped hierarchical porous hard carbon (NOHPHC) is introduced as the anode in KIBs by carbonizing and acidizing the NH2‐MIL‐101(Al) precursor. Specifically, the NOHPHC electrode delivers high reversible capacities of 365 and 118 mA h g−1 at 25 and 3000 mA g−1, respectively. The capacity retention reaches 69.5% at 1050 mA g−1 for 1100 cycles. The reasons for the enhanced electrochemical performance, such as the high capacity, good cycling stability, and superior rate capability, are analyzed qualitatively and quantitatively. Quantitative analysis reveals that mixed mechanisms, including capacitance and diffusion, account for the K‐ion storage, in which the capacitance plays a more important role. Specifically, the enhanced interlayer spacing (0.39 nm) enables the intercalation of large K ions, while the high specific surface area of ≈1030 m2 g−1 and the dual‐heteroatom doping (N and O) are conducive to the reversible adsorption of K ions.
Magnetically Guided Self‐Assembly and Coding of 3D Living Architectures
Authors: Tocchio Alessandro , Durmus Naside Gozde , Sridhar Kaushik , Mani Vigneshwaran , Coskun Bukre , El Assal Rami , Demirci Utkan 
Published: December 2017

AbstractIn nature, cells self‐assemble at the microscale into complex functional configurations. This mechanism is increasingly exploited to assemble biofidelic biological systems in vitro. However, precise coding of 3D multicellular living materials is challenging due to their architectural complexity and spatiotemporal heterogeneity. Therefore, there is an unmet need for an effective assembly method with deterministic control on the biomanufacturing of functional living systems, which can be used to model physiological and pathological behavior. Here, a universal system is presented for 3D assembly and coding of cells into complex living architectures. In this system, a gadolinium‐based nonionic paramagnetic agent is used in conjunction with magnetic fields to levitate and assemble cells. Thus, living materials are fabricated with controlled geometry and organization and imaged in situ in real time, preserving viability and functional properties. The developed method provides an innovative direction to monitor and guide the reconfigurability of living materials temporally and spatially in 3D, which can enable the study of transient biological mechanisms. This platform offers broad applications in numerous fields, such as 3D bioprinting and bottom‐up tissue engineering, as well as drug discovery, developmental biology, neuroscience, and cancer research.
Microscale 3D Printing of Nanotwinned Copper
Authors: Behroozfar Ali , Daryadel Soheil , Morsali S. Reza , Moreno Salvador , Baniasadi Mahmoud , Bernal Rodrigo A. , Minary‐Jolandan Majid 
Published: December 2017

AbstractNanotwinned (nt)‐metals exhibit superior mechanical and electrical properties compared to their coarse‐grained and nanograined counterparts. nt‐metals in film and bulk forms are obtained using physical and chemical processes including pulsed electrodeposition (PED), plastic deformation, recrystallization, phase transformation, and sputter deposition. However, currently, there is no process for 3D printing (additive manufacturing) of nt‐metals. Microscale 3D printing of nt‐Cu is demonstrated with high density of coherent twin boundaries using a new room temperature process based on localized PED (L‐PED). The 3D printed nt‐Cu is fully dense, with low to none impurities, and low microstructural defects, and without obvious interface between printed layers, which overall result in good mechanical and electrical properties, without any postprocessing steps. The L‐PED process enables direct 3D printing of layer‐by‐layer and complex 3D microscale nt‐Cu structures, which may find applications for fabrication of metamaterials, sensors, plasmonics, and micro/nanoelectromechanical systems.
Iridium‐Catalyzed Dynamic Kinetic Stereoselective Allylic Etherification of Achmatowicz Rearrangement Products
Authors: Zhu Zhongpeng , Wang Hao‐Yuan , Simmons Christopher , Tseng Po‐Sen , Qiu Xiang , Zhang Yu , Duan Xiyan , Yang Jing‐Kui , Tang Weiping 
Published: December 2017

AbstractWe recently developed a novel Ir‐catalyzed dynamic kinetic isomerization reaction for Achmatowicz rearrangement products. In this update, we show that products derived from the Achmatowicz rearrangement can also undergo Ir‐catalyzed dynamic kinetic allylic etherification in the presence of an appropriate ligand and additive to afford useful intermediates for the synthesis of carbohydrates. The addition of the triphenyl phosphite ligand shuts down the isomerization pathway and promotes the allylic etherification pathway. The addition of diphenyl phosphate improved the diastereoselectivity for the addition reaction. Interestingly, opposite diastereoselectivity was observed for sterically demanding alcohol nucleophiles compared to less sterically demanding alcohol nucleophiles. The method was also applied to the synthesis of several 2,3‐dideoxypyranosides.magnified image
Ruthenium(II)‐NNN‐Pincer‐Complex‐Catalyzed Reactions Between Various Alcohols and Amines for Sustainable C−N and C−C Bond Formation
Authors: Maji Milan , Chakrabarti Kaushik , Paul Bhaskar , Roy Bivas Chandra , Kundu Sabuj 
Published: December 2017

AbstractAn air and moisture stable 2‐hydroxypyridine based bifunctional ruthenium NNN‐pincer complex catalyzed efficient (TON=42840) N‐alkylation of amines under mild conditions. Surprisingly, with cyclic secondary amines this methodology selectively produced only amides. Notably, N‐methylation of several amines was achieved by using methanol as a green methylating agent. Furthermore, with lower catalyst loading (0.2 mol%) and shorter reaction time (6 h) numerous substituted quinolines were synthesized from 2‐aminobenzyl alcohols and secondary alcohols. The effectiveness of this protocol was further extended by successfully synthesizing 2‐alkylaminoquinolines in a one‐pot fashion from amino alcohol, aliphatic nitriles, and alcohols. Gram scale synthesis of various compounds was also investigated to demonstrate the synthetic applicability of this methodology.magnified image
Rhodium‐Catalyzed Alkenyl C−H Activation and Oxidative Coupling with Allylic Alcohols
Authors: Yan Rui , Wang Zhong‐Xia 
Published: December 2017

Abstract[Cp*RhCl2]2 was demonstrated to catalyze the oxidative coupling of alkenylpyridines with allylic alcohols through alkenyl C−H activation in the presence of AgOTf and AgOAc to afford β‐alkenyl ketones and aldehydes in moderate to good yields. Allylic alcohol, 1‐aryl and 1‐alkyl allylic alcohols can be coupled with various alkenylpyridines. The reaction occurred at the γ‐position of allylic alcohols and the cis‐β‐position of the alkenylpyridines.
Lichtgesteuerte Freisetzung von Chemikalien aus polymeren Nano‐ und Mikropartikelbehältern
Authors: Englert Christoph , Nischang Ivo , Bader Cornelia , Borchers Philipp , Alex Julien , Pröhl Michael , Hentschel Martin , Hartlieb Matthias , Traeger Anja , Pohnert Georg , Schubert Stephanie , Gottschaldt Michael , Schubert Ulrich S. 
Published: December 2017

AbstractEin Diol‐Linker mit Benzoin‐Grundkörper wurde synthetisiert und zur Herstellung biokompatibler Polyester verwendet, die bei Bedarf durch UV‐Licht vollständig abgebaut werden können. Um eine definierte Einkapselung von strukturell unterschiedlichen organischen Verbindungen in den hergestellten polymeren Materialien und einen gut kontrollierbaren Polymerabbauprozess zu ermöglichen, wurde eine umfassende strukturelle Optimierung der Monomerlinkereinheit durchgeführt. Die Verfolgung der Freisetzungskinetik verkapselter Modellverbindungen aus den polymeren Nano‐ und Mikropartikelbehältern wurde durch konfokale Laser‐Scanning‐Mikroskopie als grundsätzlicher Nachweis für gewünschte Anwendungen ermöglicht. Die physikochemischen Eigenschaften der Modellverbindungen reichen dabei von vollständig hydrophil bis vollständig hydrophob. Die nachgewiesene Biokompatibilität der verwendeten Polyester und ihrer Abbauprodukte ermöglichen weitere Anwendungen, z. B. als intelligente Verpackung von UV‐empfindlichen pharmazeutisch oder ernährungsrelevanten Substanzen oder auch für räumlich selektive Selbstheilungsprozesse.
Elektrochemische Synthese von Aryliodiden durch anodische Iododesilylierung
Authors: Möckel Robert , Hille Jessica , Winterling Erik , Weidemüller Stephan , Faber Tabea Melanie , Hilt Gerhard 
Published: December 2017

AbstractEin neuer elektrochemischer Zugang zu Iodaromaten ausgehend von Trimethylsilyl‐substituierten Aromaten wird präsentiert. Durch statistische Versuchsplanung konnten sehr effiziente und milde Reaktionsbedingungen gefunden und auf eine Vielzahl von Substraten angewendet werden. Ein Kompatibilitätstest und die Verwendung der Methode zur Synthese eines 3‐Iodbenzylguanidin‐Derivats (Radiomarker) illustrieren die Anwendungsbreite.
Comparison of two different techniques of cooperative learning approach: Undergraduates' conceptual understanding in the context of hormone biochemistry
Authors: Mutlu Ayfer 
Published: December 2017

AbstractThe purpose of the research was to compare the effects of two different techniques of the cooperative learning approach, namely Team‐Game Tournament and Jigsaw, on undergraduates' conceptual understanding in a Hormone Biochemistry course. Undergraduates were randomly assigned to Group 1 (N = 23) and Group 2 (N = 29). Instructions were accomplished using Team‐Game Tournament in Group 1 and Jigsaw in Group 2. Before the instructions, all groups were informed about cooperative learning and techniques, their responsibilities in the learning process and accessing of resources. Instructions were conducted under the guidance of the researcher for nine weeks and the Hormone Concept Test developed by the researcher was used before and after the instructions for data collection. According to the results, while both techniques improved students' understanding, Jigsaw was more effective than Team‐Game Tournament. © 2017 by The International Union of Biochemistry and Molecular Biology, 46(2):114–120, 2018.
Exploring cancer in LRRK2 mutation carriers and idiopathic Parkinson's disease
Authors: Warø Bjørg Johanne , Aasly Jan O. 
Published: December 2017

AbstractObjectivesTo compare the risk of non‐skin cancer in LRRK2 mutation carriers and individuals with idiopathic Parkinson's disease (iPD), explore the age at which LRRK2 mutation carriers have cancer compared to iPD subjects, and clarify whether certain cancers are more closely associated with the LRRK2 mutation than iPD.Materials and MethodsDemographic data and cancer outcomes from 830 iPD patients and 103 LRRK2 mutation carriers (27 with PD) were retrospectively collected. Oncologic data were obtained from the Cancer Registry of Norway and included cancer type and age at cancer. All study participants were of Norwegian ethnicity.ResultsLRRK2 mutation carriers have increased risk of non‐skin cancer compared with iPD subjects (OR 2.09; 95% CI 1.16–3.77; p = .015). A significant association was found between the mutation and breast cancer in women (OR 4.58; 95% CI 1.45–14.51; p = .010). No other associations between harboring a LRRK2 mutation and specific cancer types were uncovered.ConclusionLRRK2 mutation carriers have an increased risk of non‐skin cancer compared with iPD subjects, which was mainly driven by the association between harboring the mutation and breast cancer in women. The increased risk is likely independent of ethnicity.
Trochanteric fracture following hip arthrodesis: case presentation
Authors: Deleanu Bogdan , Prejbeanu Radu , Vermesan Dinu , Haragus Horia , Honcea Lucian , Mioc Mihail‐Lazar , Tsiridis Eleftherios , Predescu Vlad 
Published: December 2017

Key Clinical MessageEven if the intertrochanteric fracture under an arthrodesis hip is rare and the optimal surgical treatment is controversial, we consider that treating this kind of fracture with a locked plate was a success.
Congenital methemoglobinemia type II in a 5‐year‐old boy
Authors: Mannino Elizabeth A. , Pluim Thomas , Wessler Jacob , Cho Megan T. , Juusola Jane , Schrier Vergano Samantha A. 
Published: December 2017

Key Clinical MessageCongenital Methemoglobinemia is a rare neurologic condition which can mimic other diseases such as epilepsy syndromes and leukodystrophies. The responsible gene, CYB5R3, is not typically included on commonly order neurologic and epilepsy panels. We recommend that laboratories include this gene on these tests which often precede larger‐scale genetic studies.
On the Generality of Molecular Volcano Plots
Authors: Wodrich Matthew D. , Sawatlon Boodsarin , Busch Michael , Corminboeuf Clémence 
Published: December 2017

AbstractIn homogeneous catalysis, the structure and electronic configuration of the active catalysts can vary significantly. Changes in ligation, oxidation, and spin states have the potential to influence the catalytic cycle energetics strongly that, to a large degree, dictate the catalytic performance. With the increased use of computational screening strategies aimed towards the identification of new catalysts, ambiguity surrounding structure/electronic configurations can be problematic, as it is unclear which species should be computed to determine a catalyst's properties. Here, we show that a single volcano plot constructed from linear free energy scaling relationships is able to account for variations in ligation, oxidation, and spin state. These linear scaling relationships can also be used to predict the free energies associated with a specific structure and electronic configuration of a catalyst based on a single descriptor. As a result, a single volcano plot can be used to screen prospective new catalysts rapidly.
Synthesis, Electronic Structures, and Electrochemistry of 3‐Triarylphosphoraniminato‐1,3,5‐trithia‐2,4,6,8‐tetrazocines: Detection of Trithiatetrazocinyl Radical Anions
Authors: Yu Xin , Roemmele Tracey L. , Boeré René T. 
Published: December 2017

AbstractReaction of the bicyclic sulfur‐nitrogen heterocycles RC6H4CN5S3 (R=4‐CH3O, 4‐CH3, 4‐H, 4‐Cl, 4‐CF3, 3‐CF3) with PR’3 (R′=C6H5 or 4‐CH3OC6H4) produces 3‐phosphoraniminato‐7‐aryl‐1,3,5‐trithia‐2,4,6,8‐tetrazocines RC6H4CN4S3NPR’3. In all cases, only the endo‐isomers were isolated and characterized by 1H, 31P, and 19F NMR as well as UV spectroscopy and X‐ray crystallography. RB3LYP/6‐311+G(d,p)// RB3LYP/6‐31G(d,p) computations were undertaken to help explain the atom‐exact syntheses via intermediates previously detected spectroscopically. Three reasonable intermediates have been computed as stationary points with energies consistent with the observed reaction path. Cyclic and square‐wave voltammetry studies of RC6H4CN4S3NPR’3, using a glassy carbon working electrode in CH2Cl2 with 0.4 M [nBu4N][PF6], reveal two IRR reduction processes at RT in all cases at approximately −1.9 and −2.2 V, respectively, and one IRR oxidation process at approximately +1.0 V (versus Fc+/0). [RC6H4CN4S3NPR’3]−. radical anions (R’=4‐CH3OC6H4, R=4‐CH3O, 4‐H, 4‐CF3) were detected at −50 °C in CH2Cl2 by using in situ electrolysis and simultaneous electron paramagnetic resonance spectroscopy: [4‐RC6H4CN4S3NP(4‐CH3OC6H4)3]−., estimated a(31P)=0.078 mT, a(14N1)=0.031 mT, a(14N2,3)=0.256 mT, a(14N4,5)=0.341 mT. The signals decay rapidly, but after the electrolysis is ended, a persistent EPR signal is always obtained with EPR parameters that match known 4‐aryl‐1,2,3,5‐dithiadiazolyls, that is, a(N)=0.51 mT and g=2.0105, which are consistent with the production of [4‐CF3‐C6H4CN2S2]..
An Asymmetric‐Electrolyte Zn−Air Battery with Ultrahigh Power Density and Energy Density
Authors: Cai Pingwei , Li Yan , Chen Junxiang , Jia Jingchun , Wang Genxiang , Wen Zhenhai 
Published: December 2017

AbstractZn−air batteries have attracted enormous research interest, driven by the promise for vehicle propulsion owing to their advantages of high‐level safety, low cost, and high specific energy density. Here, we report an asymmetric‐electrolyte Zn−air battery with acid catholyte and alkaline anolyte separated by a bipolar membrane. We demonstrate that the as‐designed Zn−air battery, thanks to the as‐formed concentration cell, can deliver a maximum power density of 380 mW cm−2 and a specific energy density of 1522 Wh kg−1 with an open‐circuit voltage of 2.25 V. The as‐proposed Zn−air battery performance is superior to the conventional Zn−air battery in terms of these pivotal performance parameters.