bluuebunny/crossref_metadata_2025_split huggingface dataset:
Recorregut de recerca geològica i mineralògica per la comarca de l´Alt Urgell (amb una petita fillola per la comarca del Solsonès): des de la Vansa a Fornols de Cadí, Cornellana, Tuixent i al Coll del Port
Authors: Mata Perelló Josep Maria 
Published: June 2015

Itinerari realitzat el 13 de juliol de 2014. En aquesta ocasió, el recorregut de l´itinerari discorrerà, en la seva totalitat pel Sistema Pirinenc. I ho farà per dues de les seves sotsunitats.. Així, es circularà per tres de les seves sots unitats: pel Mantell del Pedraforca Inferior, pel Mantell del Pedraforca Superior i pel Mantell del Cadí. Així, el recorregut s´iniciarà dintre dels afloraments mesozoics (del Triàsic, del Juràssic i del Cretàcic) que formen part del Mantell del Pedraforca Inferior, per on es circularà entre la Vansa i el Coll del Port, tret d´alguns sectors situats prop de Cornellana de Cadí i del mateix Coll de Port. En aquests altres sectors, es circularà pel Mantell del Pedraforca Superior (amb afloraments del Cretàcic) i pel Mantell del Cadí., entre afloraments de materials cenozoics del Paleocè – Eocè. Per altra banda, tot i que el recorregut de l´itinerari transitarà per la comarca de l´Alt Urgell (entre la Vansa i el Coll de Port), a la darrera aturada es farà una lleu entrada a la comarca veïna del Solsonès, per on finalitzarà el recorregut d´aquest itinerari.
РАЗВОЈ РУРАЛНОГ ТУРИЗМА У ЕВРОПСКОЈ УНИЈИ
Authors: Gašić Marko , Ivanović Vladan , Komadina Milan 
Published: June 2015

Рурални туризам се дефинише као туризам кога производи “рурална средина” за посетиоце, нудећи комбинацију природних, културних и људских искустава која обично имају рурални карактер. То је у ствари, утапање посетилаца у аутентична, оригинална и провинцијска искуства која представљају суштину сеоског живота. Смештај у руралним срединама има за циљ да прикаже рурални живот, уметност, културу и наслеђе руралних подручја. Рурални развој, као једна од области регионалне политике, је кључни инструмент за реструктурирање пољопривредног сектора и активирање туристичких потенцијала који ће бити привлачни туристима. Предмет овог рада је развој руралног туризма у ЕУ и укључује дефинисање руралног туризма, међузависност руралног туризма и руралног развоја, стање у ЕУ и искуства неких земаља чланица ЕУ.
Experimental study of sealing performance:2. Effects of particle size distribution on threshold pressure of sintered compacts
Authors: Sorai Masao , Kano Yuki , Honda Katsuya 
Published: June 2015

AbstractIn connection with an assessment of the sealing performance of a caprock such as mudstone for geologic CO2 sequestration, we prepared sintered compacts comprising two different‐sized silica beads with various particle size ratios and mixing ratios. Then we examined the correlation between permeability k and threshold pressure Pcth of the samples. Specifically, Pcth was measured in supercritical CO2‐water system under conditions of 1000 m depth (10 MPa and 40°C). A series of studies was conducted to identify factors affecting data variability on the Pcth‐k correlation chart and to ascertain the variation ranges of both parameters. This paper corresponds to a second step of work, following previous measurements obtained from monodisperse samples. The sample's k showed good correlation with both the mixing ratio and mean area diameter, whereas Pcth with great variation was correlated with neither parameter. In this context, results suggest that Pcth, which was controlled by local structures within samples, could not be predicted simply from the pore diameter distribution. Regarding the Pcth‐k correlation, monodisperse samples are scattered around the closest‐packing line. In contrast, bidisperse samples are shown mainly below the closest‐packing line. Moreover, the slope of a fitting line on the Pcth‐k double logarithmic chart was lowered from −0.62 for monodisperse particles to −0.43 for bidisperse particles. Nevertheless, the low slope on mudstone cannot be explained solely by the effect of the particle size distribution. Therefore, the contribution of the particle configuration is expected to be greater as a factor affecting the internal structure of mudstone.
The climatological distribution of extreme Arctic winds and implications for ocean and sea ice processes
Authors: Hughes Mimi , Cassano John J. 
Published: June 2015

AbstractSome of the strongest near‐surface winds on Earth form in the Arctic and sub‐Arctic due to intense midlatitude cyclones and mesoscale processes, and these strong surface winds have important impacts on ocean and sea ice processes. We examine the climatological distribution of over‐ocean, near‐surface wind speeds within a Pan‐Arctic domain for 18 years (1990–2007) in four gridded data sets: the European Centre for Medium‐Range Weather Forecasts Interim reanalysis (ERA‐I), the Climate Forecast System Reanalysis, version 2 of the Common Ocean‐Ice Reference Experiment data set, and a regional climate simulation generated using the Weather Research and Forecasting (WRF) model run at 50 km (WRF50) horizontal resolution with ERA Interim as lateral boundary conditions. We estimate probability density functions, the annual cycle, and map the 50th and 99th percentile winds. We then perform the same statistical analysis of winds for 2 years when 10 km WRF data are available (June 2005 to May 2007); despite the much shorter time period, the Pan‐Arctic statistics are very similar to those from the 18 year analysis. We repeat the wind speed statistical analysis within a subdomain surrounding Greenland and find that WRF10 has consistently larger maximum wind speeds, but this difference only appears at wind speed percentiles higher than 99%. Differences in the 99th percentile wind speeds are spatially heterogeneous. An investigation of surface fluxes within WRF50 and WRF10 reveals unrealistically large sensible heat fluxes along the sea ice edge, and the geographic distribution and magnitude of these fluxes is shown to be sensitive to sea ice representation in WRF.
Three‐dimensional constrained variational analysis: Approach and application to analysis of atmospheric diabatic heating and derivative fields during an ARM SGP intensive observational period
Authors: Tang Shuaiqi , Zhang Minghua 
Published: June 2015

AbstractAtmospheric vertical velocities and advective tendencies are essential large‐scale forcing data to drive single‐column models (SCMs), cloud‐resolving models (CRMs), and large‐eddy simulations (LESs). However, they cannot be directly measured from field measurements or easily calculated with great accuracy. In the Atmospheric Radiation Measurement Program (ARM), a constrained variational algorithm (1‐D constrained variational analysis (1DCVA)) has been used to derive large‐scale forcing data over a sounding network domain with the aid of flux measurements at the surface and top of the atmosphere (TOA). The 1DCVA algorithm is now extended into three dimensions (3DCVA) along with other improvements to calculate gridded large‐scale forcing data, diabatic heating sources (Q1), and moisture sinks (Q2). Results are presented for a midlatitude cyclone case study on 3 March 2000 at the ARM Southern Great Plains site. These results are used to evaluate the diabatic heating fields in the available products such as Rapid Update Cycle, ERA‐Interim, National Centers for Environmental Prediction Climate Forecast System Reanalysis, Modern‐Era Retrospective Analysis for Research and Applications, Japanese 55‐year Reanalysis, and North American Regional Reanalysis. We show that although the analysis/reanalysis generally captures the atmospheric state of the cyclone, their biases in the derivative terms (Q1 and Q2) at regional scale of a few hundred kilometers are large and all analyses/reanalyses tend to underestimate the subgrid‐scale upward transport of moist static energy in the lower troposphere. The 3DCVA‐gridded large‐scale forcing data are physically consistent with the spatial distribution of surface and TOA measurements of radiation, precipitation, latent and sensible heat fluxes, and clouds that are better suited to force SCMs, CRMs, and LESs. Possible applications of the 3DCVA are discussed.
Gold(I)‐Catalyzed Tandem Reaction of γ‐Amino‐Substituted Propargylic Esters to Pyrrolines and its Application in the Formal Synthesis of (±)‐Aphanorphine
Authors: Wang Zhengshen , Zheng Huaiji , Yang Juan , Xie Xingang , She Xuegong 
Published: June 2015

AbstractAn effective synthesis of structurally diverse pyrroline derivatives has been accomplished by a gold(I)‐catalyzed tandem 1,3‐acyloxy rearrangement/intramolecular azacylization reaction of γ‐amino‐substituted propargylic esters in good to excellent chemical yields (52–98%). The reaction proceeds under extremely mild conditions and has also demonstrated its potential in a concise formal synthesis	of (±)‐aphanorphine with a catalyst loading as low as 0.5 mol% to provide the key intermediate 5‐(4‐methoxybenzyl)‐1‐tosyl‐2,5‐dihydro‐1H‐pyrrol‐3‐yl pivalate on a gram scale.magnified image
2,6‐Bis(amido)benzoic Acid with Internal Hydrogen Bond as Brønsted Acid Catalyst for Friedel–Crafts Reaction of Indoles
Authors: Moriyama Katsuhiko , Sugiue Toru , Saito Yuki , Katsuta Shoichi , Togo Hideo 
Published: June 2015

AbstractBenzoic acid catalysts bearing two amide groups that increase the Brønsted acidity of the carboxylic acid moiety by internal hydrogen‐bonding interactions were designed as a novel class of carboxylic acid catalysts for the Friedel–Crafts reaction of indoles with β‐nitrostyrenes and 3,3‐disubstituted 3H‐indoles to obtain the corresponding Friedel–Crafts adducts in high yields. The internal hydrogen‐bonding benzoic acid catalysts have a relatively high Brønsted acidity compared with benzoic acid based on the pKa measurements in DMSO by UV spectrophotometric titration.magnified image
Direct ortho‐Hydroxylation of 2‐Phenylpyridines using Palladium(II) Chloride and Hydrogen Peroxide
Authors: Yamaguchi Tomoaki , Yamaguchi Eiji , Tada Norihiro , Itoh Akichika 
Published: June 2015

AbstractDirect functionalization of the ubiquitous CH bond is receiving much attention because complex structures can be formed from simple precursors. This paper reports a useful method for the direct hydroxylation of 2‐phenylpyridines using palladium(II) chloride and aqueous hydrogen peroxide. In this method, hydrogen peroxide, which has high atom efficiency, is employed as the oxidant and phenol derivatives are generated via CH activation.magnified image
Sauerstoffmessung in der Biomedizin – von der Makro‐ zur Mikroebene
Authors: Roussakis Emmanuel , Li Zongxi , Nichols Alexander J. , Evans Conor L. 
Published: June 2015

AbstractDer Messung von Sauerstoff sind wegen dessen zentraler Rolle in der Biochemie des Lebens bereits umfassende Studien gewidmet worden. Um Mechanismen unter normalen physiologischen Verhältnissen ebenso wie bei Krankheitszuständen untersuchen und verstehen zu können, ist es notwendig, die physiologische Verteilung und die Dynamik von Sauerstoff auf subzellulärer und makroskopischer Ebene in Echtzeit quantifizieren zu können. Dieser Aufsatz diskutiert die wichtigsten aktuellen Fortschritte bei der Entwicklung von Sauerstoffsensormaterialien und stellt dabei polarographische, nuklearmedizinische, Magnetresonanz‐basierte und optische Techniken vor, die eine spezifische Verfolgung der Sauerstoffdynamik in Zell‐ und Gewebsumgebungen in Echtzeit ermöglichen. Da einige der interessantesten Fortschritte bezüglich Synthesemethoden und biomedizinischen Anwendungen auf dem Gebiet der optischen Sauerstoffsensoren zu verzeichnen sind, werden wir einen Schwerpunkt auf die Entwicklung dieser Konzepte legen.
Eine additivarme photoredoxkatalysierte reduktive Kupplung von Aldehyden, Ketonen und Iminen mit sichtbarem Licht
Authors: Nakajima Masaki , Fava Eleonora , Loescher Sebastian , Jiang Zhen , Rueping Magnus 
Published: June 2015

AbstractKetylradikale und Aminoradikalanionen sind interessante reaktive Intermediate für C‐C‐Kupplungen. Dennoch ist die Verwendung dieser reaktiven Intermediate in der Katalyse nur spärlich beschrieben. Grund hierfür sind die thermodynamisch ungünstigen Verhältnisse einer Carbonyl‐ oder Imin‐Umpolung mittels der Redoxkatalysatoren. Im Rahmen des reduktiven Löschzyklus in der Photoredoxkatalyse kommen gewöhnlich tertiäre Amine als Coreduktionsmittel zum Einsatz, die keine weitere nennenswerte Funktion erfüllen. Wir zeigen hier, dass dem Amin eine duale Rolle zukommen kann und für eine organokatalytische Präaktivierung der Substrate entscheidend ist. Die Kombination von Photoredoxkatalyse und Carbonyl/Imin‐Aktivierung ermöglichte uns erstmals die reduktive Kupplung von Benzaldehyden, Ketonen und Iminen unter milden Bedingungen.
Physiologically based pharmacokinetic modeling to predict complex drug–drug interactions: a case study of AZD2327 and its metabolite, competitive and time‐dependent CYP3A inhibitors
Authors: Guo Jian , Zhou Diansong , Li Yan , Khanh Bui H. 
Published: June 2015

Abstract4‐{(R)‐(3‐Aminophenyl)[4‐(4‐fluorobenzyl)‐piperazin‐1‐yl]methyl}‐N,N‐diethylbenzamide (AZD2327) is a highly potent and selective agonist of the δ‐opioid receptor. AZD2327 and N‐deethylated AZD2327 (M1) are substrates of cytochrome P450 3A (CYP3A4) and comprise a complex multiple inhibitory system that causes competitive and time‐dependent inhibition of CYP3A4. The aim of the current work was to develop a physiologically based pharmacokinetic (PBPK) model to predict quantitatively the magnitude of CYP3A4 mediated drug–drug interaction with midazolam as the substrate. Integrating in silico, in vitro and in vivo PK data, a PBPK model was successfully developed to simulate the clinical accumulation of AZD2327 and its primary metabolite. The inhibition of CYP3A4 by AZD2327, using midazolam as a probe drug, was reasonably predicted. The predicted maximum concentration (Cmax) and area under the concentration–time curve (AUC) for midazolam were increased by 1.75 and 2.45‐fold, respectively, after multiple dosing of AZD2327, indicating no or low risk for clinically relevant drug–drug interactions (DDI). These results are in agreement with those obtained in a clinical trial with a 1.4 and 1.5‐fold increase in Cmax and AUC of midazolam, respectively. In conclusion, this model simulated DDI with less than a two‐fold error, indicating that complex clinical DDI associated with multiple mechanisms, pathways and inhibitors (parent and metabolite) can be predicted using a well‐developed PBPK model. Copyright © 2015 John Wiley & Sons, Ltd.
Modelling microbial competition in nitrifying biofilm reactors
Authors: Vannecke T. P. W. , Volcke E. I. P. 
Published: June 2015

ABSTRACTA large variety of microbial parameter values for nitrifying microorganisms has been reported in literature and was revised in this study. Part of the variety was attributed to the variety of analysis methods applied; it also reflects the large biodiversity in nitrifying systems. This diversity is mostly neglected in conventional nitrifying biofilm models. In this contribution, a one‐dimensional, multispecies nitrifying biofilm model was set up, taking into account the large variety of the maximum growth rate, the substrate affinity and the yield of nitrifiers reported in literature. Microbial diversity was implemented in the model by considering 60 species of ammonia‐oxidizing bacteria (AOB) and 60 species of nitrite‐oxidizing bacteria (NOB). A steady‐state analysis showed that operational conditions such as the nitrogen loading rate and the bulk liquid oxygen concentration influence both the macroscopic output as well as the microbial composition of the biofilm through the prevailing concentration of substrates throughout the biofilm. Considering two limiting resources (nitrogen and oxygen), the coexistence of two species of the same functional guild (AOB or NOB) was possible at steady state. Their spatial distribution in the biofilm could be explained using the r‐ and K‐selection theory. Biotechnol. Bioeng. 2015;112: 2550–2561. © 2015 Wiley Periodicals, Inc.
The Direct Non‐Perturbing Leaching Test in the Phosphine‐Free Suzuki–Miyaura Reaction Catalyzed by Palladium Nanoparticles
Authors: Kashin Alexander N. , Ganina Olga G. , Cheprakov Andrey V. , Beletskaya Irina P. 
Published: June 2015

AbstractThe aryl halides normally unreactive in the reaction with phenylboronic acid in the presence of a palladium nanoparticle catalyst were shown to become involved, if a more reactive aryl iodide is simultaneously participating in the process. The involvement phenomenon can be interpreted as a direct evidence of the formation of smaller and more reactive palladium nanoparticles through leaching from the initial nanocatalyst. The involvement test was applied both to free unsupported Pd nanoparticles and supported species, thus exhibiting essentially the same character of evolutions of various nanomaterials during the catalytic transformation associated with leaching of reactive species from the initial particles. The system allows for concurrent processing of less reactive aryl bromides and even chlorides together with much more reactive aryl iodides. The interpretation of the observed phenomena and implications for practical realization of nanoparticle catalysts are discussed.
Three‐Dimensional Pseudocapacitive Interface for Enhanced Power Production in a Microbial Fuel Cell
Authors: Gong Xiao‐Bo , You Shi‐Jie , Yuan Yuan , Zhang Jin‐Na , Sun Kai , Ren Nan‐Qi 
Published: June 2015

AbstractInterface properties are crucial to anodic extracellular electron transfer (EET) and power production of microbial fuel cells (MFCs), because they determine the local density of electroactive biofilms and the efficiency of electron transfer. To enhance MFC performance by improving EET, a 3D‐structured pseudocapacitive interface is created by in situ deposition of MnO2 on a carbon electrode through the redox reaction between permanganate and carbon. The electrochemical performance of the MnO2‐modified carbon paper electrode is increased considerably compared with an unmodified electrode, due to the increased local density of the exoelectrogenic biofilm and effective interfacial shuttling of electrons facilitated by the pseudocapacitive MnO2. The process for constructing 3D MnO2‐based interfaces is technologically simple, environmentally friendly, and cost‐effective. This study provides a new and promising strategy for improving power production in MFCs for scaled‐up applications.
Are Nanoparticles Spherical or Quasi‐Spherical?
Authors: Sokolov Stanislav V. , Batchelor‐McAuley Christopher , Tschulik Kristina , Fletcher Stephen , Compton Richard G. 
Published: June 2015

AbstractThe geometry of quasi‐spherical nanoparticles is investigated. The combination of SEM imaging and electrochemical nano‐impact experiments is demonstrated to allow sizing and characterization of the geometry of single silver nanoparticles.
Absolute Asymmetric Synthesis: Viedma Ripening of [Co(bpy)3]2+ and Solvent‐Free Oxidation to [Co(bpy)3]3+
Authors: Björemark Per Martin , Jönsson Johan , Håkansson Mikael 
Published: June 2015

AbstractSyntheses of [Co(bpy)3]2+ yield racemic solutions because the Δ‐ and Λ‐enantiomers are stereochemically labile. However, crystallization and attrition‐enhanced deracemization can give homochiral crystal batches of either handedness in quantitative yield. Subsequently, solvent‐free oxidation with bromine vapour fixes the chirality because [Co(bipy)3]3+ does not enantiomerize in solution at ambient temperature. This combination of Viedma ripening and the labile/inert CoII/CoIII couple constitutes a convenient method of absolute asymmetric synthesis.
On the Functional Group Tolerance of Ester Hydrogenation and Polyester Depolymerisation Catalysed by Ruthenium Complexes of Tridentate Aminophosphine Ligands
Authors: Fuentes José A. , Smith Samuel M. , Scharbert M. Theresa , Carpenter Ian , Cordes David B. , Slawin Alexandra M. Z. , Clarke Matthew L. 
Published: June 2015

AbstractThe synthesis of a range of phosphine‐diamine, phosphine‐amino‐alcohol, and phosphine‐amino‐amide ligands and their ruthenium(II) complexes are reported. Five of these were characterised by X‐ray crystallography. The activities of this collection of catalysts were initially compared for the hydrogenation of two model ester hydrogenations. Catalyst turnover frequencies up to 2400 h−1 were observed at 85 °C. However, turnover is slow at near ambient temperatures. By using a phosphine‐diamine RuII complex, identified as the most active catalyst, a range of aromatic esters were reduced in high yield. The hydrogenation of alkene‐, diene‐, and alkyne‐functionalised esters was also studied. Substrates with a remote, but reactive terminal alkene substituent could be reduced chemoselectively in the presence of 4‐dimethylaminopyridine (DMAP) co‐catalyst. The chemoselective reduction of the ester function in conjugated dienoate ethyl sorbate could deliver (2E,4E)‐hexa‐2,4‐dien‐1‐ol, a precursor to leaf alcohol. The monounsaturated alcohol (E)‐hex‐4‐en‐1‐ol was produced with reasonable selectivity, but complete chemoselectivity of CO over the diene is elusive. High chemoselectivity for the reduction of an ester over an alkyne group was observed in the hydrogenation of an alkynoate for the first time. The catalysts were also active in the depolymerisation reduction of samples of waste poly(ethylene terephthalate) (PET) to produce benzene dimethanol. These depolymerisations were found to be poisoned by the ethylene glycol side product, although good yields could still be achieved.
The “Speedy” Synthesis of Atom‐Specific 15N Imino/Amido‐Labeled RNA
Authors: Neuner Sandro , Santner Tobias , Kreutz Christoph , Micura Ronald 
Published: June 2015

AbstractAlthough numerous reports on the synthesis of atom‐specific 15N‐labeled nucleosides exist, fast and facile access to the corresponding phosphoramidites for RNA solid‐phase synthesis is still lacking. This situation represents a severe bottleneck for NMR spectroscopic investigations on functional RNAs. Here, we present optimized procedures to speed up the synthesis of 15N(1) adenosine and 15N(1) guanosine amidites, which are the much needed counterparts of the more straightforward‐to‐achieve 15N(3) uridine and 15N(3) cytidine amidites in order to tap full potential of 1H/15N/15N‐COSY experiments for directly monitoring individual Watson–Crick base pairs in RNA. Demonstrated for two preQ1 riboswitch systems, we exemplify a versatile concept for individual base‐pair labeling in the analysis of conformationally flexible RNAs when competing structures and conformational dynamics are encountered.
Faithful PCR Amplification of an Unnatural Base‐Pair Analogue with Four Hydrogen Bonds
Authors: Tarashima Noriko , Komatsu Yasuo , Furukawa Kazuhiro , Minakawa Noriaki 
Published: June 2015

AbstractIn vitro replication of an unnatural imidazopyridopyridine:naphthyridine base pair, (i.e., ImNN:NaOO), having four hydrogen bonds was investigated. Kinetic studies of single‐nucleotide insertion revealed that ImNN and NaOO were recognized as complementary bases by an exonuclease‐deficient Klenow fragment with higher specificity and efficiency than two previously described pairs (ImNO:NaON and ImON:NaNO) because of higher thermal and thermodynamic stabilities and the DAAD:ADDA (D=donor, A=acceptor) hydrogen‐bonding pattern of the ImNN:NaOO pair. Faithful polymerase chain reaction (PCR) amplification of a DNA fragment containing the ImNN:NaOO pair was achieved by using DNA polymerases possessing 3′→5′ exonuclease activity (≈99.5 % per doubling).
Palladium/Copper‐Cocatalyzed Oxidative Amidobrominations of Alkenes
Authors: Chen Xiao Yun , Bohmann Rebekka Anna , Wang Long , Dong Shunxi , Räuber Christoph , Bolm Carsten 
Published: June 2015

AbstractIn the presence of LiBr, a palladium/copper combination catalyzes dehydrogenative amidobrominations of acrylates with NH‐sulfoximines, leading to N‐vinylated products by dual NH/CH coupling, followed by oxidative enamide bromination. Mechanistically, the domino process is proposed to involve palladium(II) species as key intermediates. First synthetic applications of the products have been demonstrated.