bluuebunny/crossref_metadata_2025_split huggingface dataset:
Observations of stratospheric sudden warmings in Earth rotation variations
Authors: Neef Lisa , Walther Sophia , Matthes Katja , Kodera Kunihiko 
Published: August 2014

AbstractStratospheric sudden warmings (SSWs) are extreme events in the polar stratosphere that are both caused by and have effects on the tropospheric flow. This means that SSWs are associated with changes in the angular momentum of the atmosphere, both before and after their onset. Because these angular momentum changes are transferred to the solid Earth, they can be observed in the rate of the Earth's rotation and the wobble of its rotational pole. By comparing observed Earth rotation variations to reanalysis data, we find that an anomaly in the orientation of the Earth's rotational pole, up to 4 times as large as the annual polar wobble, typically precedes SSWs by 20–40 days. The polar motion signal is due to pressure anomalies that are typically seen before SSW events and represents a new type of observable that may aid in the prediction of SSWs. A decline in the length of day is also seen, on average, near the time of the SSW wind reversal and is found to be due to anomalous easterly winds generated in the tropical troposphere around this time, though the structure and timing of this signal seems to vary widely from event to event.
Capillary pinning and blunting of immiscible gravity currents in porous media
Authors: Zhao Benzhong , MacMinn Christopher W. , Huppert Herbert E. , Juanes Ruben 
Published: August 2014

AbstractGravity‐driven flows in the subsurface have attracted recent interest in the context of geological carbon dioxide (CO2) storage, where supercritical CO2 is captured from the flue gas of power plants and injected underground into deep saline aquifers. After injection, the CO2 will spread and migrate as a buoyant gravity current relative to the denser, ambient brine. Although the CO2 and the brine are immiscible, the impact of capillarity on CO2 spreading and migration is poorly understood. We previously studied the early time evolution of an immiscible gravity current, showing that capillary pressure hysteresis pins a portion of the macroscopic fluid‐fluid interface and that this can eventually stop the flow. Here we study the full lifetime of such a gravity current. Using tabletop experiments in packings of glass beads, we show that the horizontal extent of the pinned region grows with time and that this is ultimately responsible for limiting the migration of the current to a finite distance. We also find that capillarity blunts the leading edge of the current, which contributes to further limiting the migration distance. Using experiments in etched micromodels, we show that the thickness of the blunted nose is controlled by the distribution of pore‐throat sizes and the strength of capillarity relative to buoyancy. We develop a theoretical model that captures the evolution of immiscible gravity currents and predicts the maximum migration distance. By applying this model to representative aquifers, we show that capillary pinning and blunting can exert an important control on gravity currents in the context of geological CO2 storage.
Exploring the relationship between employer recordkeeping and underreporting in the BLS Survey of Occupational Injuries and Illnesses
Authors: Wuellner Sara E. , Bonauto David K. 
Published: August 2014

BackgroundLittle empirical data exist to identify the reasons for underreporting in the US Bureau of Labor Statistics (BLS) non‐fatal occupational injury and illness data.MethodsWe interviewed occupational injury and illness record keepers from Washington State establishments that participated in the 2008 BLS Survey of Occupational Injuries and Illnesses (SOII). Qualitative and quantitative methods were used to explore recordkeeping and business practices that may explain SOII's incomplete case capture compared with WC claims data.ResultsMost participants (90%) did not comply with OSHA recordkeeping regulations. Other factors including using workplace injury data to evaluate supervisors' or SOII respondent's job performance, recording injuries for a worksite that operates multiple shifts, and failing to follow SOII instructions were more common among establishments with unreported WC claims.ConclusionBusiness practices that incentivize low injury rates, disorganized recordkeeping, and limited communication between BLS and survey respondents are barriers to accurate employer reports of work‐related injuries and illnesses. Am. J. Ind. Med. 57:1133–1143, 2014. © 2014 The Authors. American Journal of Industrial Medicine published by Wiley Periodicals, Inc.
Hierarchical Activated Mesoporous Phenolic‐Resin‐Based Carbons for Supercapacitors
Authors: Wang Zhao , Zhou Min , Chen Hao , Jiang Jingui , Guan Shiyou 
Published: August 2014

AbstractA series of hierarchical activated mesoporous carbons (AMCs) were prepared by the activation of highly ordered, body‐centered cubic mesoporous phenolic‐resin‐based carbon with KOH. The effect of the KOH/carbon‐weight ratio on the textural properties and capacitive performance of the AMCs was investigated in detail. An AMC prepared with a KOH/carbon‐weight ratio of 6:1 possessed the largest specific surface area (1118 m2 g−1), with retention of the ordered mesoporous structure, and exhibited the highest specific capacitance of 260 F g−1 at a current density of 0.1 A g−1 in 1 M H2SO4 aqueous electrolyte. This material also showed excellent rate capability (163 F g−1 retained at 20 A g−1) and good long‐term electrochemical stability. This superior capacitive performance could be attributed to a large specific surface area and an optimized micro‐mesopore structure, which not only increased the effective specific surface area for charge storage but also provided a favorable pathway for efficient ion transport.
Global Robust Stabilization via Sampled‐Data Output Feedback for Nonlinear Systems with Uncertain Measurement and Control Gains
Authors: Zhang Chuanlin , Qian Chunjiang , Li Shihua , Du Haibo 
Published: August 2014

AbstractThis paper studies the problem of using a sampled‐data output feedback controller to globally stabilize a class of nonlinear systems with uncertain measurement and control gains. A reduced‐order observer and a linear output control law, both in the sampled‐data form, are designed without the precise knowledge of the measurement and control gains except for their bounds. The observer gains are chosen recursively in a delicate manner by utilizing the output feedback domination approach. The allowable sampling period is determined by estimating and restraining the growth of the system states under a zero‐order‐hold input with the help of the Gronwall–Bellman Inequality. A DC–DC buck power converter as a real‐life example will be shown by numerical simulations to demonstrate the effectiveness of the proposed control method.
The C‐terminal calcium‐sensitive disordered motifs regulate isoform‐specific polymerization characteristics of calsequestrin
Authors: Bal Naresh C. , Jena Nivedita , Chakravarty Harapriya , Kumar Amit , Chi Mei , Balaraju Tuniki , Rawale Sharad V. , Rawale Jayashree S. , Sharon Ashoke , Periasamy Muthu 
Published: August 2014

ABSTRACTCalsequestrin (CASQ) exists as two distinct isoforms CASQ1 and CASQ2 in all vertebrates. Although the isoforms exhibit unique functional characteristic, the structural basis for the same is yet to be fully defined. Interestingly, the C‐terminal region of the two isoforms exhibit significant differences both in length and amino acid composition; forming Dn‐motif and DEXn‐motif in CASQ1 and CASQ2, respectively. Here, we investigated if the unique C‐terminal motifs possess Ca2+‐sensitivity and affect protein function. Sequence analysis shows that both the Dn‐ and DEXn‐motifs are intrinsically disordered regions (IDRs) of the protein, a feature that is conserved from fish to man. Using purified synthetic peptides, we show that these motifs undergo distinctive Ca2+‐mediated folding suggesting that these disordered motifs are Ca2+‐sensitivity. We generated chimeric proteins by swapping the C‐terminal portions between CASQ1 and CASQ2. Our studies show that the C‐terminal portions do not play significant role in protein folding. An interesting finding of the current study is that the switching of the C‐terminal portion completely reverses the polymerization kinetics. Collectively, these data suggest that these Ca2+‐sensitivity IDRs located at the back‐to‐back dimer interface influence isoform‐specific Ca2+‐dependent polymerization properties of CASQ. © 2014 Wiley Periodicals, Inc. Biopolymers 103: 15–22, 2015.
Maximizing the Efficiency of Multienzyme Process by Stoichiometry Optimization
Authors: Dvorak Pavel , Kurumbang Nagendra P. , Bendl Jaroslav , Brezovsky Jan , Prokop Zbynek , Damborsky Jiri 
Published: August 2014

AbstractMultienzyme processes represent an important area of biocatalysis. Their efficiency can be enhanced by optimization of the stoichiometry of the biocatalysts. Here we present a workflow for maximizing the efficiency of a three‐enzyme system catalyzing a five‐step chemical conversion. Kinetic models of pathways with wild‐type or engineered enzymes were built, and the enzyme stoichiometry of each pathway was optimized. Mathematical modeling and one‐pot multienzyme experiments provided detailed insights into pathway dynamics, enabled the selection of a suitable engineered enzyme, and afforded high efficiency while minimizing biocatalyst loadings. Optimizing the stoichiometry in a pathway with an engineered enzyme reduced the total biocatalyst load by an impressive 56 %. Our new workflow represents a broadly applicable strategy for optimizing multienzyme processes.
Interplay between Nitrogen Concentration, Structure, Morphology, and Electrochemical Performance of PdCoNi “Core–Shell” Carbon Nitride Electrocatalysts for the Oxygen Reduction Reaction
Authors: Negro Enrico , Vezzù Keti , Bertasi Federico , Schiavuta Piero , Toniolo Luigi , Polizzi Stefano , Di Noto Vito 
Published: August 2014

AbstractThis report describes the electrochemical behavior of a family of “core‐shell” electrocatalysts consisting of a carbon nitride (CN) “shell” matrix and a “core” of conducting carbon nanoparticles (NPs). The CN “shell” matrix embeds PdCoNi alloy NPs and covers homogeneously the carbon “core”. The chemical composition of the materials is determined by inductively‐coupled plasma atomic emission spectroscopy (ICP‐AES) and microanalysis; the structure is studied by powder X‐ray diffraction (powder XRD); the morphology is investigated by high‐resolution transmission electron microscopy (HR‐TEM). The surface activity and structure are probed by CO stripping. The oxygen reduction reaction (ORR) kinetics, reaction mechanism, and tolerance towards contamination from chloride anions are evaluated by cyclic voltammetry with the thin‐film rotating ring‐disk electrode (CV‐TF‐RRDE) method. The effect of N concentration in the matrix (which forms “coordination nests” for the Pd‐based alloy NPs bearing the active sites) on the ORR performance of the electrocatalysts is described. Results show that N atoms: 1) influence the evolution of the structure of the materials during the preparation processes, and 2) interact with alloy NPs, affecting the bifunctional and electronic ORR mechanisms of active sites and the adsorption/desorption processes of oxygen molecules and contaminants. Finally, the best PdCoNi electrocatalyst shows a higher surface activity in the ORR at 0.9 V vs. RHE with respect to the Pt‐based reference (388 μA cmPd‐2 vs. 153 μA cmPt‐2).
High‐Performance Lithium–Sulfur Batteries Based on Ionic‐Liquid Electrolytes with Bis(fluorolsufonyl)imide Anions and Sulfur‐Encapsulated Highly Disordered Activated Carbon
Authors: Salitra Gregory , Markevich Elena , Rosenman Ariel , Talyosef Yosef , Aurbach Doron , Garsuch Arnd 
Published: August 2014

AbstractComposite sulfur–carbon electrodes were prepared by encapsulating sulfur into the micropores of two types of activated carbons, nano‐sized carbon BP2000 and micrometer‐sized carbon. The galvanostatic cycling performance of the obtained electrodes was studied in 0.5 M lithium bis(trifluoromethylsulfonyl)imide (Li TFSI) in 1‐methyl‐1‐butylpyrrolidinium TFSI (BMP TFSI), 0.5 M Li TFSI in 1‐methyl‐1‐propylpyrrolidinium bis(fluorosufonyl)imide (MPP FSI), and 0.5 M Li bis(fluorosulfonyl)imide (FSI) in MPP FSI ionic‐liquid (IL) electrolyte solutions. It is shown that the performance of Li–S cells is achieved by matching the IL anion, the morphology and structure of the carbon matrices, and the sulfur loading. High‐performance of Li–S cells, with composite Li–S cathodes prepared with micrometer‐sized activated carbon in IL electrolyte with FSI anions, are demonstrated at 60 °C. After 48 cycles, the discharge capacity of the cells approaches a value of 1235 mAhg−1 with acycling efficiency of about 100 %.
A Multifunctional Photoswitch: 6π Electrocyclization versus ESIPT and Metalation
Authors: Guérin Juliette , Léaustic Anne , Delbaere Stéphanie , Berthet Jérôme , Guillot Régis , Ruckebusch Cyril , Métivier Rémi , Nakatani Keitaro , Orio Maylis , Sliwa Michel , Yu Pei 
Published: August 2014

AbstractA terthiazole‐based molecular switch associating 6π electrocyclization, excited state intramolecular proton transfer (ESIPT), and strong metal binding capability was prepared. The photochemical and photophysical properties of this molecule and of the corresponding nickel and copper complexes were thoroughly investigated by steady‐state and ultrafast absorption spectroscopy and rationalized by DFT/TDDFT calculations. The switch behaves as a biphotochrome with time‐dependent photochemical outcome and displays efficient ESIPT‐based fluorescence photoswitching. Both photochemical reactions are suppressed by nickel or copper metalation, and the main factors contributing to the quenching of the electrocyclization are discussed.
Anion Recognition by Uranyl–Salophen Derivatives as Probed by Infrared Multiple Photon Dissociation Spectroscopy and Ab Initio Modeling
Authors: Bodo Enrico , Ciavardini Alessandra , Dalla Cort Antonella , Giannicchi Ilaria , Yafteh Mihan Francesco , Fornarini Simonetta , Vasile Silvana , Scuderi Debora , Piccirillo Susanna 
Published: August 2014

AbstractThe vibrational features and molecular structures of complexes formed by a series of uranyl–salophen receptors with simple anions, such as Cl−, H−, and HCOO−, have been investigated in the gas phase. Spectra of the anionic complexes were studied in the $\tilde \nu $=800–1800 cm−1 range by mass‐selective infrared multiple photon dissociation (IRMPD) spectroscopy with a continuously tunable free‐electron laser. The gas‐phase decarboxylation of the formate adducts produces uranyl–salophen monohydride anions, which have been characterized for the first time and reveal a strong UH bond, the nature of which has been elucidated theoretically. The spectra are in excellent agreement with the results obtained from high‐quality ab initio calculations, which provided the structure and binding features of the anion–receptor complexes.
From Enantiopure Hydroxyaldehydes to Complex Heterocyclic Scaffolds: Development of Domino Petasis/Diels–Alder and Cross‐Metathesis/Michael Addition Reactions
Authors: Cannillo Alexandre , Norsikian Stéphanie , Tran Huu Dau Marie‐Elise , Retailleau Pascal , Iorga Bogdan I. , Beau Jean‐Marie 
Published: August 2014

AbstractOne‐step assembly of hexahydroisoindole scaffolds by a sequence that combines the Petasis (borono‐Mannich) and Diels–Alder reactions is described. The unique selectivity observed experimentally was confirmed by quantum calculations. The current method is applicable to a broad range of substrates, including free sugars, and holds significant potential to efficiently and stereoselectively build new heterocyclic structures. This easy and fast entry to functionalized polycyclic compounds can be pursued by further transformations, for example, additional ring closure by a cross‐metathesis/Michael addition domino sequence.
Quantitative Fluorescence Ratio Imaging of Intralysosomal Chloride Ions with Single Excitation/Dual Maximum Emission
Authors: Li Ping , Zhang Shan , Fan Nannan , Xiao Haibin , Zhang Wen , Zhang Wei , Wang Hui , Tang Bo 
Published: August 2014

AbstractFluorescence ratio imaging is currently being used to quantitatively detect biologically active molecules in biosystems; however, two excitations of most existing fluorescent ratiometric probes account for cumbersome operating conditions for imaging. Thus, a fluorescent ratiometric probe, 6‐methoxyquinolinium–dansyl (MQ‐DS), for Cl− with single excitation/dual maximum emission has been developed. MQ‐DS can preferably localize into lysosomes and display excellent photostability. Upon excitation at a single wavelength, it responds precisely and instantaneously to changes in Cl− concentrations, and it can be conveniently utilized to implement real‐time fluorescence ratio imaging to quantitatively track alterations in Cl− levels inside cells treated under various pH conditions, and also in zebrafish with acute wounds. The successful application of the new probe in bioimaging may greatly facilitate a complete understanding of the physiological functions of Cl−.
Harnessing the ortho‐Directing Ability of the Azetidine Ring for the Regioselective and Exhaustive Functionalization of Arenes
Authors: Zenzola Marina , Degennaro Leonardo , Trinchera Piera , Carroccia Laura , Giovine Arianna , Romanazzi Giuseppe , Mastrorilli Piero , Rizzi Rosanna , Pisano Luisa , Luisi Renzo 
Published: August 2014

AbstractThis work demonstrates how the directing ability of the azetidine ring could be useful for regioselective ortho‐CH functionalization of aryl compounds. Robust polar organometallic (lithiated) intermediates are involved in this synthetic strategy. The reagent n‐hexyllithium emerged as a safer, yet still effective, basic reagent for the hydrogen/lithium permutation relative to the widely used reagent nBuLi. Two different reaction protocols were discovered for regioselective lithiation at the ortho positions adjacent to the azetidine ring, which served as a toolbox when other competing directing groups were installed on the aromatic ring. The coordinating ability of the azetidine nitrogen atom, as well as the involvement of dynamic phenomena related to the preferential conformations of 2‐arylazetidine derivatives, were recognized to be responsible for the observed reactivity and regioselectivity. A site‐selective functionalization of the aromatic ring was achieved for aryl azetidines with either coordinatively competent groups (e.g. methoxy) or inductively electron‐withdrawing substituents (e.g. chlorine and fluorine). By fine‐tuning the reaction conditions, regioselective introduction of several substituents on the aromatic ring could be realized. Several substitution patterns were accomplished, which included 1,2,3‐trisubstitution, 1,2,3,4‐tetrasubstitution, and 1,2,3,4,5‐pentasubstitution, up to the exhaustive substitution of the aromatic ring.
Nachhaltige Bausteine für die Kunststoff‐Herstellung
Authors: Garbe Daniel , Reiße Steven , Brück Thomas 
Published: August 2014

AbstractDie Produktion biobasierter Hochleistungskunststoffe wie Polyamide nutzt Pflanzenöle als Rohstoffquelle. Fortschritte in chemischen und biotechnologischen Katalyse‐Verfahren ermöglichen heute die Konversion von Pflanzenölen in maßgeschneiderte Bausteine für die Polymerproduktion. Schon heute haben biobasierte Polymer‐Synthesebausteine äquivalente chemische und physikalische Eigenschaften als auch vergleichbare Kostenstrukturen wie petrochemische Synthesegrundstoffe. Dies ermöglicht die Integration Biomasse‐basierter Rohstoffströme in bestehende Prozesskonfigurationen im industriellen Maßstab. Jedoch wird erst die effiziente Nutzung von Synergien zwischen chemischen und biotechnologischen Verfahren ein nachhaltiges und umweltschonendes Prozessdesign in Zukunft erlauben. Um langfristig Bio‐Öle für die chemische Industrie bereitstellen zu können, ohne signifikant in die Nahrungsmittelproduktion einzugreifen, müssen neue Verfahren für die Produktion mikrobieller Öle auf Basis von Biomasse‐Reststoffströmen entwickelt werden.
Cytology specimens offer an effective alternative to formalin‐fixed tissue as demonstrated by novel automated detection for ALK break‐apart FISH testing and immunohistochemistry in lung adenocarcinoma
Authors: Rosenblum Frida , Hutchinson Lloyd M. , Garver Joann , Woda Bruce , Cosar Ediz , Kurian Elizabeth M. 
Published: August 2014

BACKGROUNDMinimally invasive sampling by cytology or core needle biopsy often provides an initial diagnosis for treatment in patients with lung nodules. From these limited specimens, multiple molecular studies are frequently requested. Current guidelines from the US Food and Drug Administration recommend using formalin‐fixed paraffin‐embedded tissue sections for the detection of anaplastic lymphoma kinase (ALK) gene rearrangement by fluorescence in situ hybridization (FISH). The authors compared alcohol‐fixed and formalin‐fixed cytology specimens using a novel automated detection for ALK rearrangements by FISH and immunohistochemistry (IHC).METHODSALK FISH testing was performed on 129 lung adenocarcinomas from 71 cytology cases and 58 biopsy/resection specimens using Papanicolaou staining with integrated cytomorphology. IHC with the ALK D5F3 antibody was performed on cases with residual material (88 of 129 cases).RESULTSThe mean age of the patients was 66 years; there were 62 women and 67 men. ALK gene rearrangement was present in 4% of cytology specimens (3 of 71 specimens) and 7% of surgical specimens (4 of 58 specimens). FISH in 13 cases was technically unsuccessful. Of the 7 FISH‐positive cases, only 2 cytology cases (4%) and 2 surgical cases (6%) were found to be positive with the ALK antibody, demonstrating 80% concordance. The one case found to be negative for ALK by IHC demonstrated a variant rearrangement of the ALK 2p23 gene locus by FISH.CONCLUSIONSThe results of the current study validate the usefulness of alcohol‐fixed and/or formalin‐fixed cytology specimens for ALK rearrangement by a novel automated FISH method. IHC using the D5F3 antibody for ALK is specific in this limited cohort. The authors also demonstrated that alcohol‐fixed cytology specimens can be used for ALK rearrangement by automated FISH, alone or in conjunction with IHC. Cancer (Cancer Cytopathol) 2014;122:810–821. © 2014 American Cancer Society.
GPU‐UPGMA: high‐performance computing for UPGMA algorithm based on graphics processing units
Authors: Lin Yu‐Shiang , Lin Chun‐Yuan , Hung Che‐Lun , Chung Yeh‐Ching , Lee Kual‐Zheng 
Published: August 2014

SummaryConstructing phylogenetic trees is of priority concern in computational biology, especially for developing biological taxonomies. As a conventional means of constructing phylogenetic trees, unweighted pair group method with arithmetic (UPGMA) is also an extensively adopted heuristic algorithm for constructing ultrametric trees (UT). Although the UT constructed by UPGMA is often not a true tree unless the molecular clock assumption holds, UT is still useful for the clocklike data. Moreover, UT has been successfully adopted in other problems, including orthologous‐domain classification and multiple sequence alignment. However, previous implementations of the UPGMA method have a limited ability to handle large taxa sets efficiently. This work describes a novel graphics processing unit (GPU)‐UPGMA approach, capable of providing rapid construction of extremely large datasets for biologists. Experimental results indicate that the proposed GPU‐UPGMA approach achieves an approximately 95× speedup ratio on NVIDIA Tesla C2050 GPU over the implementation with 2.13 GHz CPU. The developed techniques in GPU‐UPGMA also can be applied to solve the classification problem for large data set with more than tens of thousands items in the future.Copyright © 2014 John Wiley & Sons, Ltd.