bluuebunny/crossref_metadata_2025_split huggingface dataset:
A modeling approach to identify the effective forcing exerted by wind on a prealpine lake surrounded by a complex topography
Authors: Valerio G. , Cantelli A. , Monti P. , Leuzzi G. 
Published: April 2017

AbstractThe representation of spatial wind distribution is recognized as a serious difficulty when modeling the hydrodynamics of lakes surrounded by a complex topography. To address this issue, we propose to force a 3‐D lake model with the wind field simulated by a high‐resolution atmospheric model, considering as a case study a 61 km2 prealpine lake surrounded by mountain ranges that reach 1800 m above the lake's surface, where a comprehensive data set was available in the stratified season. The improved distributed description of the wind stress over the lake surface led to a significant enhancement in the representation of the main basin‐scale internal wave motions, and hence provided a reference solution to test the use of simplified approaches. Moreover, the analysis of the power exerted by the computed wind field enabled us to identify measuring stations that provide suitable wind data to be applied uniformly on the lake surface in long‐term simulations. Accordingly, the proposed methodology can contribute to reducing the uncertainties associated with the definition of wind forcing for modeling purposes and can provide a rational criterion for installing representative measurement locations in prealpine lakes.
A terrestrial weathering and wind abrasion analog for mound and moat morphology of Gale crater, Mars
Authors: Chan Marjorie A. , Netoff Dennis I. 
Published: April 2017

AbstractA striking feature of Gale crater is the 5.5 km high, central layered mound called Mount Sharp (Aeolis Mons)—the major exploration target for the Mars Science Laboratory rover, Curiosity. Within the 154 km diameter crater, low plains (Aeolis Palous) resemble a moat surrounding Mount Sharp. There is a similar terrestrial analog in the Jurassic Navajo Sandstone of southern Utah, USA, where a distinctive weathering pit 60 m wide by 20 m deep contains a central pillar/mound and moat. Strong regional and local winds are funneled to amplify their velocity and produce a Venturi effect that sculpts the pit via wind abrasion. Although the Navajo pit is orders of magnitude smaller than Gale crater, both show comparable morphologies accompanied by erosional wind features. The terrestrial example shows the impact of weathering and the ability of strong winds and vortices to shape lithified sedimentary rock over long periods of time.
NAD(P)H‐Dependent Dehydrogenases for the Asymmetric Reductive Amination of Ketones: Structure, Mechanism, Evolution and Application
Authors: Sharma Mahima , Mangas‐Sanchez Juan , Turner Nicholas J. , Grogan Gideon 
Published: April 2017

AbstractAsymmetric reductive aminations are some of the most important reactions in the preparation of active pharmaceuticals, as chiral amines feature in many of the world's most important drugs. Although many enzymes have been applied to the synthesis of chiral amines, the development of reductive amination reactions that use enzymes is attractive, as it would permit the one‐step transformation of readily available prochiral ketones into chiral amines of high optical purity. However, as most natural “reductive aminase” activities operate on keto acids, and many are able to use only ammonia as the amine donor, there is considerable scope for the engineering of natural enzymes for the reductive amination of ketones, and also for the preparation of secondary amines using alkylamines as donors. This review summarises research into the development of NAD(P)H‐dependent dehydrogenases for the reductive amination of ketones, including amino acid dehydrogenases (AADHs), natural amine dehydrogenases (AmDHs), opine dehydrogenases (OpDHs) and imine reductases (IREDs). In each case knowledge of the structure and mechanism of the enzyme class is addressed, with a further description of the engineering of those enzymes for the reductive amination of ketones towards primary and also secondary amine products.magnified image
Chiral determination of cinchonine using an electrochemiluminescent sensor with molecularly imprinted membrane on the surfaces of magnetic particles
Authors: Yuan Xingyi , Tan Yanji , Wei Xiaoping , Li Jianping 
Published: April 2017

AbstractA novel molecular imprinting electrochemiluminescence sensor for detecting chiral cinchonine molecules was developed with a molecularly imprinted polymer membrane on the surfaces of magnetic microspheres. Fe3O4@Au nanoparticles modified with 6‐mercapto‐beta‐cyclodextrin were used as a carrier, cinchonine as a template molecule, methacrylic acid as a functional monomer and N,N′‐methylenebisacrylamide as a cross‐linking agent. Cinchonine was specifically recognized by the 6‐mercapto‐beta‐cyclodextrin functional molecularly imprinted polymer and detected based on enhancement of the electrochemiluminescence intensity caused by the reaction of tertiary amino structures of cinchonine molecules with Ru(bpy)32+. Cinchonine concentrations of 1 × 10−10 to 4 × 10−7 mol/L showed a good linear relationship with changes of the electrochemiluminescence intensity, and the detection limit of the sensor was 3.13 × 10−11 mol/L. The sensor has high sensitivity and selectivity, and is easy to renew. It was designed for detecting serum samples, with recovery rates of 98.2% to 107.6%.
Modeling interactions between a β‐O‐4 type lignin model compound and 1‐allyl‐3‐methylimidazolium chloride ionic liquid
Authors: Zhu Youtao , Yan Jing , Liu Chengbu , Zhang Dongju 
Published: April 2017

AbstractAiming at understanding the molecular mechanism of the lignin dissolution in imidazolium‐based ionic liquids (ILs), this work presents a combined quantum chemistry (QC) calculation and molecular dynamics (MD) simulation study on the interaction of the lignin model compound, veratrylglycerol‐β‐guaiacyl ether (VG) with 1‐allyl‐3‐methylimidazolium chloride ([Amim]Cl). The monomer of VG is shown to feature a strong intramolecular hydrogen bond, and its dimer is indicated to present important π‐π stacking and intermolecular hydrogen bonding interactions. The interactions of both the cation and anion of [Amim]Cl with VG are shown to be stronger than that between the two monomers, indicating that [Amim]Cl is capable of dissolving lignin. While Cl– anion forms a hydrogen‐bonded complex with VG, the imidazolium cation interacts with VG via both the π‐π stacking and intermolecular hydrogen bonding. The calculated interaction energies between VG and the IL or its components (the cation, anion, and ion pair) indicate the anion plays a more important role than the cation for the dissolution of lignin in the IL. Theoretical results provide help for understanding the molecular mechanism of lignin dissolution in imidazolium‐based IL. The theoretical calculations on the interaction between the lignin model compound and [Amim]Cl ionic liquid indicate that the anion of [Amim]Cl plays a more important role for lignin dissolution although the cation also makes a substantial contribution.
Essential Oils as Biocides for the Control of Fungal Infections and Devastating Pest (Tuta absoluta) of Tomato (Lycopersicon esculentum Mill.)
Authors: Bouayad Alam Samira , Dib Mohammed El Amine , Djabou Nassim , Tabti Boufeldja , Gaouar Benyelles Nassira , Costa Jean , Muselli Alain 
Published: April 2017

Thymus capitatus and Tetraclinis articulata essential oils as well their major components (carvacrol and α‐pinene) were evaluated for their antifungal and insecticidal activities. Both oils showed good in vitro antifungal activity against Fusarium oxysporum, Aspergillus niger, Penicillium sp., Alternaria alternata, and Botrytis cinerea, the fungi causing tomato rot. In vivo results indicate the efficacies of both essential oils and carvacrol of reduce postharvest fungal pathogens, such as B. cinerea and Al. alternata that are responsible of black and gray rot of tomato fruit. Disease incidence of Al. alternata and B. cinerea decreased on average from 55% to 80% with essential oil of Th. capitatus and pure carcvacrol, while Te. articulata essential oil exhibited inhibition of fungal growth of 55% and 25% against Al. alternata and B. cinerea, respectively, with concentration of 0.4 μl/l air. The insecticidal activity of Th. capitatus and Te. articulata essential oils exhibited also a good insecticidal activity. At the concentration of 0.2 μl/ml air, the oils caused mortality over 80% for all larval stages of Tuta absoluta and 100% mortality for the first‐instar after 1.5 h only of exposure. α‐Pinene presented lower insecticidal and antifungal activities compared to essential oils of Th. capitatus, Te. articulata and pure carvacrol. Thus, these essential oils can be used as a potential source to develop control agents to manage some of the main pests and fungal diseases of tomato crops.
A case of a pulmonary artery sling misdiagnosed as refractory asthma for 20 years
Authors: Inui Toshihide , Yamada Hideyasu , Hida Norihito , Terashima Hideo , Saito Takefumi , Hizawa Nobuyuki 
Published: April 2017

Key Clinical MessageWe report the case of a 25‐year‐old woman with a pulmonary artery sling who was misdiagnosed as having childhood‐onset refractory asthma for approximately 20 years. The use of computed tomography may be useful for diagnosing this rare condition.
NH3 Post‐Treatment Induces High Activity of Co‐Based Electrocatalysts Supported on Carbon Nanotubes for the Oxygen Evolution Reaction
Authors: Yang Fengkai , Xia Wei , Maljusch Artjom , Masa Justus , Hollmann Dirk , Sinev Ilya , Cuenya Beatriz Roldan , Schuhmann Wolfgang , Muhler Martin 
Published: April 2017

AbstractCobalt oxide nanoparticles were deposited on nitrogen‐doped carbon nanotubes (NCNTs) through impregnation by using cobalt nitrate as a precursor and subsequent drying and calcination. Co loadings were prepared in the range from 4 to 40 wt%, and hydrogen and ammonia were applied in the thermal post‐treatment of the CoOx/NCNT samples. The Co3O4 spinel structure was detected in all samples, while the thermal treatment in ammonia and hydrogen led to the formation of CoO and metallic Co in addition. Treatment in ammonia resulted in the partial reduction of Co3O4 to CoO and nitrogen doping of the oxides, leading to excellent electrocatalytic activity in the oxygen evolution reaction (OER) and stability despite of the lower Co oxidation states compared with the sample calcined in air. In contrast, the sample reduced in hydrogen showed a lower activity and stability in the OER. The high activity of the ammonia‐treated sample can be assigned to improved conductivity, favorable surface properties with surface nitrogen improving the hydrophilicity of the catalysts, and the more facile transformation to the OER‐active layered cobalt oxyhydroxide phase under anodic conditions.
Synergistic Effect of a Boron‐Doped Carbon‐Nanotube‐Supported Cu Catalyst for Selective Hydrogenation of Dimethyl Oxalate to Ethanol
Authors: Ai Peipei , Tan Minghui , Yamane Noriyuki , Liu Guoguo , Fan Ronggang , Yang Guohui , Yoneyama Yoshiharu , Yang Ruiqin , Tsubaki Noritatsu 
Published: April 2017

AbstractHeteroatom doping is a promising approach to improve the properties of carbon materials for customized applications. Herein, a series of Cu catalysts supported on boron‐doped carbon nanotubes (Cu/xB‐CNTs) were prepared for the hydrogenation of dimethyl oxalate (DMO) to ethanol. The structure and chemical properties of boron‐doped catalysts were characterized by XRD, TEM, N2O pulse adsorption, CO chemisorption, H2 temperature‐programmed reduction, and NH3 temperature‐programmed desorption, which revealed that doping boron into CNT supports improved the Cu dispersion, strengthened the interaction of Cu species with the CNT support, introduced more surface acid sites, and increased the surface area of Cu0 and especially Cu+ sites. Consequently, the catalytic activity and stability of the catalysts were greatly enhanced by boron doping. 100 % DMO conversion and 78.1 % ethanol selectivity could be achieved over the Cu/1B‐CNTs catalyst, the ethanol selectivity of which was almost 1.7 times higher than that of the catalyst without boron doping. These results suggest that doping CNTs with boron is an efficient approach to improve the catalytic performance of CNT‐based catalysts for hydrogenation of DMO. The boron‐doped CNT‐based catalyst with improved ethanol selectivity and catalytic stability will be helpful in the development of efficient Cu catalysts supported on non‐silica materials for selective hydrogenation of DMO to ethanol.
Arene‐Inserted Extended Germa[n]pericyclynes: Synthesis, Structure, and Phosphorescence Properties
Authors: Tanimoto Hiroki , Mori Junta , Ito Shunichiro , Nishiyama Yasuhiro , Morimoto Tsumoru , Tanaka Kazuo , Chujo Yoshiki , Kakiuchi Kiyomi 
Published: April 2017

AbstractThis report describes the synthesis and characterization of arene‐inserted extended (ArEx) germa[n]pericyclynes composed of germanium and 1,4‐diethynylbenzene units. These novel cyclic germanium‐π unit materials were synthesized with diethynylbenzene and germanium dichloride. X‐ray crystallographic analysis revealed their structures, and the planar conformation of ArEx germa[4]pericyclyne along with the regular aromatic rings. UV/Vis absorption spectra and fluorescence emission spectra showed considerably unique and highly improved character compared to previously reported germa[n]pericyclynes. Even in the absence of transition metal components, phosphorescence emissions were observed, and the emission lifetimes were dramatically improved. ArEx germa[n]pericyclynes showed high photoluminescence quantum yields, whereas low photoluminescence quantum yields were observed for acyclic compounds. Density functional theory calculations show delocalized orbitals between skipped alkyne units through a germanium tether, and an increase in the HOMO energy level, leading to a small HOMO–LUMO energy gap.
Persistent Radicals of Self‐assembled Benzophenone bis‐Urea Macrocycles: Characterization and Application as a Polarizing Agent for Solid‐state DNP MAS Spectroscopy
Authors: DeHaven Baillie A. , Tokarski John T. , Korous Arthur A. , Mentink‐Vigier Frederic , Makris Thomas M. , Brugh Alexander M. , Forbes Malcolm D. E. , van Tol Johan , Bowers Clifford R. , Shimizu Linda S. 
Published: April 2017

AbstractUV‐irradiation of a self‐assembled benzophenone bis‐urea macrocycle generates μm amounts of radicals that persist for weeks under ambient conditions. High‐field EPR and variable‐temperature X‐band EPR studies suggest a resonance stabilized radical pair through H‐abstraction. These endogenous radicals were applied as a polarizing agent for magic angle spinning (MAS) dynamic nuclear polarization (DNP) NMR enhancement. The field‐stepped DNP enhancement profile exhibits a sharp peak with a maximum enhancement of ϵon/off=4 superimposed on a nearly constant DNP enhancement of ϵon/off=2 over a broad field range. This maximum coincides with the high field EPR absorption spectrum, consistent with an Overhauser effect mechanism. DNP enhancement was observed for both the host and guests, suggesting that even low levels of endogenous radicals can facilitate the study of host–guest relationships in the solid‐state.
Decipher test impacts decision making among patients considering adjuvant and salvage treatment after radical prostatectomy: Interim results from the Multicenter Prospective PRO‐IMPACT study
Authors: Gore John L. , du Plessis Marguerite , Santiago‐Jiménez María , Yousefi Kasra , Thompson Darby J. S. , Karsh Lawrence , Lane Brian R. , Franks Michael , Chen David Y. T. , Bandyk Mark , Bianco Fernando J. , Brown Gordon , Clark William , Kibel Adam S. , Kim Hyung L. , Lowrance William , Manoharan Murugesan , Maroni Paul , Perrapato Scott , Sieber Paul , Trabulsi Edouard J. , Waterhouse Robert , Davicioni Elai , Lotan Yair , Lin Daniel W. 
Published: April 2017

BACKGROUNDPatients with prostate cancer and their providers face uncertainty as they consider adjuvant radiotherapy (ART) or salvage radiotherapy (SRT) after undergoing radical prostatectomy. The authors prospectively evaluated the impact of the Decipher test, which predicts metastasis risk after radical prostatectomy, on decision making for ART and SRT.METHODSA total of 150 patients who were considering ART and 115 who were considering SRT were enrolled. Providers submitted a management recommendation before processing the Decipher test and again at the time of receipt of the test results. Patients completed validated surveys on prostate cancer (PCa)‐specific decisional effectiveness and PCa‐related anxiety.RESULTSBefore the Decipher test, observation was recommended for 89% of patients considering ART and 58% of patients considering SRT. After Decipher testing, 18% (95% confidence interval [95% CI], 12%‐25%) of treatment recommendations changed in the ART arm, including 31% among high‐risk patients; and 32% (95% CI, 24%‐42%) of management recommendations changed in the salvage arm, including 56% among high‐risk patients. Decisional Conflict Scale (DCS) scores were better after viewing Decipher test results (ART arm: median DCS before Decipher, 25 and after Decipher, 19 [P<.001]; SRT arm: median DCS before Decipher, 27 and after Decipher, 23 [P<.001]). PCa‐specific anxiety changed after Decipher testing; fear of PCa disease recurrence in the ART arm (P = .02) and PCa‐specific anxiety in the SRT arm (P = .05) decreased significantly among low‐risk patients. Decipher results reported per 5% increase in 5‐year metastasis probability were associated with the decision to pursue ART (odds ratio, 1.48; 95% CI, 1.19‐1.85) and SRT (odds ratio, 1.41; 95% CI, 1.09‐1.81) in multivariable logistic regression analysis.CONCLUSIONSKnowledge of Decipher test results was associated with treatment decision making and improved decisional effectiveness among men with PCa who were considering ART and SRT. Cancer 2017;123:2850–59. © 2017 American Cancer Society.
Alterations in expression of Cat‐315 epitope of perineuronal nets during normal ageing, and its modulation by an open‐channel NMDA receptor blocker, memantine
Authors: Yamada Jun , Ohgomori Tomohiro , Jinno Shozo 
Published: April 2017

AbstractThe perineuronal net (PNN), a specialized aggregate of the extracellular matrix, is involved in neuroprotection against oxidative stress, which is now recognized as a major contributor to age‐related decline in brain functions. In this study, we investigated the age‐related molecular changes of PNNs using monoclonal antibody Cat‐315, which recognizes human natural killer‐1 (HNK‐1) glycan on aggrecan‐based PNNs. Western blot analysis showed that the expression levels of Cat‐315 epitope in the hippocampus were higher in middle‐aged (MA, 12‐month‐old) mice than in young adult (YA, 2‐month‐old) mice. Although there were no differences in the expression levels of Cat‐315 epitope between old age (OA, 20‐month‐old) and MA mice, Cat‐315 immunoreactivity was also detected in astrocytes of OA mice. To focus on Cat‐315 epitope in PNNs, we used YA and MA mice in the following experiments. Optical disector analysis showed that there were no differences in the numbers of Cat‐315‐positive (Cat‐315+) PNNs between YA and MA mice. Fluorescence intensity analysis indicated that Cat‐315 immunoreactivity in PNNs increased with age in the dorsal hippocampus, which is mainly involved in cognitive functions. Administration of an open‐channel blocker of NMDA receptor, memantine, reduced the expression levels of Cat‐315 epitope in the hippocampus. Furthermore, the numbers of glutamatergic and GABAergic terminals colocalized with Cat‐315 epitope around parvalbumin‐positive neurons were decreased by memantine. These findings provide novel insight into the involvement of PNNs in normal brain ageing, and suggest that memantine may counteract the age‐related alterations in expression levels of Cat‐315 epitope via regulation of its subcellular localization.
Controlled Growth of CH3NH3PbI3 Using a Dynamically Dispensed Spin‐Coating Method: Improving Efficiency with a Reproducible PbI2 Blocking Layer
Authors: Ma Yingzhuang , Vashishtha Parth , Chen Kai , Peach Elijah L. , Ohayon David , Hodgkiss Justin M. , Halpert Jonathan E. 
Published: April 2017

AbstractIt is commonly believed that excess PbI2 has beneficial effects for perovskite solar cells owing to the modification of charge‐transport behavior at interfaces, by surface passivation and by blocking electron‐hole recombination. Here, we introduce a dynamically dispensed spin‐coating technique in a two‐step deposition to form a perovskite layer with controllable quantities of crystalline PbI2. Using this technique, the concentration of CH3NH3I solution is kept constant at the reaction interface, ensuring smooth growth of films. By changing the spinning rate during the reaction, the PbI2 conversion ratio and perovskite cuboid size can be optimized, resulting in a power conversion efficiency improvement over control devices. This dynamically dispensed technique represents a repeatable method for compositional control in perovskite solar cells and improves our understanding of how a PbI2 blocking layer improves the performance of perovskite solar cells.
Seasonal habitat use by Elephants (Loxodonta africana) in the Mole National Park of Ghana
Authors: Ashiagbor George , Danquah Emmanuel 
Published: April 2017

AbstractTo avoid unnecessary waste of limited resources and to help prioritize areas for conservation efforts, this study aimed to provide information on habitat use by elephants between the wet and dry seasons in the Mole National Park (MNP) of Ghana. We compiled coordinates of 516 locations of elephants’ encounters, 256 for dry season and 260 for wet season. Using nine predictor variables, we modeled the probability of elephant's distribution in MNP. We threshold the models to “suitable” and “nonsuitable” regions of habitat use using the equal training sensitivity and specificity values of 0.177 and 0.181 for the dry and wet seasons, respectively. Accuracy assessment of our models revealed a sensitivity score of 0.909 and 0.974, and a specificity of 0.579 and 0.753 for the dry and wet seasons, respectively. A TSS of 0.488 was also recorded for the dry season and 0.727 for the wet season indicating a good model agreement. Our model predicts habitat use to be confined to the southern portion of MNP due to elevation difference and a relatively steep slope that separates the northern regions of the park from the south. Regions of habitat use for the wet season were 856 km2and reduced significantly to 547.68 km2in the dry season. We observed significant overlap (327.24 km2) in habitat use regions between the wet and dry seasons (Schoener's D = 0.922 and Hellinger's‐based I = 0.991). DEM, proximity to waterholes, and saltlicks were identified as the key variables that contributed to the prediction. We recommend construction of temporal camps in regions of habitat use that are far from the headquarters area for effective management of elephants. Also, an increase in water point's density around the headquarters areas and selected dry areas of the park will further decrease elephant's range and hence a relatively less resource use in monitoring and patrols.