bluuebunny/crossref_metadata_2025_split huggingface dataset:
Salts of 5‐(5‐Azido‐1H‐1,2,4‐triazol‐3‐yl)tetrazol‐1‐ol: From Highly Sensitive Primary Explosives to Insensitive Nitrogen‐Rich Salts
Authors: Izsák Dániel , Klapötke Thomas M. , Reuter Stephan 
Published: October 2013

AbstractSeveral metal and nitrogen‐rich salts of the recently presented 5‐(5‐azido‐1H‐1,2,4‐triazol‐3‐yl)tetrazol‐1‐ol (AzTTO), including silver (1), copper(I) (2), potassium (3 and 5), cesium (4), copper(II) (6), ammonium (7 and 11), hydrazinium (8), guanidinium (9 and 12), and aminoguanidinium (10), were prepared and thoroughly characterized by IR and multinuclear (1H, 13C, 14N) NMR spectroscopy, mass spectrometry, and differential scanning calorimetry (DSC). Additionally, the structures of 3·H2O, 4, 5·3H2O, and 7 were determined by single‐crystal X‐ray diffraction. The compounds show interesting structural motifs, which were analyzed and are discussed. The sensitivities towards impact, friction, and electrostatic discharge were determined according to BAM (the German Federal Institute for Materials Research and Testing) standards, thereby revealing most of the metal salts to be highly sensitive and the nitrogen‐rich salts to be mostly insensitive. Furthermore, the metal salts were tested for their ability to be primary explosives.
Reversible Reactions of Ni and Pd Hydroxo Pincer Complexes [(iPrPCP)M–OH] with CO2: Solid‐State Study of the Decarboxylation of the Monomeric Bicarbonate Complexes [(iPrPCP)M–OCOOH] (M = Ni, Pd)
Authors: Martínez‐Prieto Luis Miguel , Real Concepción , Ávila Elena , Álvarez Eleuterio , Palma Pilar , Cámpora Juan 
Published: October 2013

AbstractMonomeric Ni and Pd hydroxides stabilized by the iPrPCP pincer ligand react with CO2 to give labile terminal bicarbonate complexes that readily lose CO2 and water to give binuclear carbonate complexes. Differential scanning calorimetry (DSC) has been used to monitor the decomposition of both bicarcabonates in the solid state. When the carbonate complexes are heated under reflux in thf in the presence of water, full decarboxylation takes place, restoring the starting hydroxides and demonstrating that CO2 insertion is a fully reversible process. The decarboxylation of the nickel carbonate complex is completed more readily, suggesting that the reaction of the Pd hydroxide with CO2 is more favourable than that of its nickel counterpart. This is supported by DFT calculations, which also shows that CO2 insertion takes place through a concerted Lipscomb‐type mechanism.
A 2D Layered Lanthanide Hydroxide Showing Slow Relaxation of Magnetization – Dy8(OH)20Cl4·6H2O
Authors: Monteiro Bernardo , Pereira Cláudia C. L. , Coutinho Joana T. , Pereira Laura C. J. , Marçalo Joaquim , Almeida Manuel 
Published: October 2013

AbstractInvited for the cover of this issue is the group of Manuel Almeida at the University of Lisbon. The cover image illustrates the unit cell of a layered dysprosium hydroxide material that is the first example of a layered lanthanide compound showing single‐molecule‐magnet behavior.
Asymmetric Synthesis of C2‐Symmetric Axially Chiral Biaryls through Rhodium‐Catalyzed and Alkyne‐Controlled Diastereoselective Double [2+2+2] Cycloaddition
Authors: Mori Ayaka , Araki Tatsuya , Miyauchi Yuta , Noguchi Keiichi , Tanaka Ken 
Published: October 2013

AbstractThe asymmetric synthesis of C2‐symmetric axially chiral biaryls was achieved by the cationic rhodium(I)/1,3‐bis(diphenylphosphino)propane (dppp) complex catalyzed diastereoselective double [2+2+2] cycloaddition of (R)‐3‐butyn‐2‐ol‐derived tetraynes with functionalized monoynes. Interestingly, the use of propiolates afforded biaryls possessing large dihedral angles, and in contrast, the use of propargyl alcohol afforded biaryls possessing small dihedral angles.
Ruthenium‐Catalyzed Synthesis of Highly Substituted Pyrroles from 1‐Vinylpropargyl Alcohols and Amines
Authors: Thies Nora , Gerlach Martin , Haak Edgar 
Published: October 2013

AbstractRuthenium‐catalyzed atom‐economic transformations of 1‐vinylpropargyl alcohols with amines leading to highly substituted pyrroles in a one‐pot cascade process are reported. The allylation/cycloisomerization sequence is catalyzed by a single ruthenium(0) complex that contains a redox‐coupled dienone ligand and can be extended by an additional [3,3] rearrangement. The environmentally benign reactions allow the metal‐catalyzed conversion of inexpensive and readily accessible materials to highly functionalized pyrroles with water as the only waste product.
Organophosphorus‐Selenium Heteroatom Derivatives from Selenation of Primary/Secondary Amines and Haloalkanes/Dihaloalkanes
Authors: Hua Guoxiong , Arachchige Kasun S. A. , Slawin Alexandra M. Z. , Woollins J. Derek 
Published: October 2013

AbstractReaction of 2,4‐bis(phenyl)‐1,3‐diselenadiphosphetane‐2,4‐diselenide (Woollins' reagent) with four equivalents of primary/secondary amines led to a series of ammonium phenylphosphonamido‐diselenoates or phenylphosphonamido‐diselenoic diamides 1a–n, the latter further reacted in situ with either two equivalents of haloalkanes or an equimolar amount of dihaloalkane, resulting in formation of the corresponding Se‐alkylphenyl‐Se‐alkylphenyl‐phosphonamidodiselenoates 2a–n and alkane bis(N‐alkyl‐P‐phenylphosphonamido‐diselenoate) derivatives 3a–n in good to excellent yields. All new compounds have been characterized spectroscopically including multinuclear NMR (1H, 13C, 31P and 77Se), IR and mass spectroscopy. Two representative X‐ray structures are also described.
Synthesis of the Fungal Lipo‐Chitooligosaccharide Myc‐IV (C16:0, S), Symbiotic Signal of Arbuscular Mycorrhiza
Authors: Gillard Laura , Stévenin Arnaud , Schmitz‐Afonso Isabelle , Vauzeilles Boris , Boyer François‐Didier , Beau Jean‐Marie 
Published: October 2013

AbstractA new synthesis of the fungal lipo‐chitooligosaccharide Myc‐IV (C16:0, S), which was recently reported to be a major symbiotic signalling molecule in arbuscular mycorrhiza, is described. Key steps include the oxidative cleavage of a 4,6‐O‐benzylidene acetal to prepare a disaccharidic glycosyl acceptor, and stereoselective glycosylations with 2‐methyl‐5‐tert‐butylphenyl thioglycosyl donors.
Total Synthesis of Cristatic Acid Based on Late‐Stage Decarboxylative Allylic Migration and Biomimetic Aromatization of a Diketo Dioxinone
Authors: George Nicolas S. , Anderson Katie E. , Barrett Anthony G. M. 
Published: October 2013

AbstractA fifteen‐step synthesis of methyl cristatate is described. tert‐Butyl‐[(E)‐6‐iodo‐3‐methylhex‐2‐enyloxy)]diphenylsilane, synthesized from geraniol, was coupled with 2‐(diethoxymethyl)‐4‐lithiofuran and transformed – by acetal hydrolysis, Wittig olefination, and desilylation – into a sesquiterpene furan alcohol. This alcohol was converted into methyl cristatate by sequential condensation with carbonyldiimidazole and the enolate dianion derived from 2,2‐dimethyl‐6‐(2‐oxopropyl)‐4H‐1,3‐dioxin‐4‐one and subsequent Pd0‐catalyzed decarboxylative allylic migration, biomimetic aromatization, and transesterification with methanol.
Normalization in the courtroom: Does the formation of a group norm affect how judges adjust prosecutors' demands?
Authors: Geyres Beatrice , Hilton Denis , Py Jacques 
Published: October 2013

AbstractLegal archives concerning a new type of offence first introduced onto the French statute books in 2005 reveal a normalization effect over the following 2 years in judges' sentence decisions but not in prosecutors' sentence demands. We examine the hypothesis that the formation of a normally accepted range of sentences will influence how judges respond to the extremity of the prosecutor's initial sentence demand. In line with a normalization perspective, results reveal that judges were less influenced by extreme (out‐of‐range) sentence demands but more influenced by moderate (in‐range) sentences in 2007 than in 2005. Over time, it seems that a shared standard of reference is established, which appears to lead judges to adjust moderate prosecutor demands less and extreme prosecutor demands more. Copyright © 2013 John Wiley & Sons, Ltd.
The ironic impact of activists: Negative stereotypes reduce social change influence
Authors: Bashir Nadia Y. , Lockwood Penelope , Chasteen Alison L. , Nadolny Daniel , Noyes Indra 
Published: October 2013

AbstractDespite recognizing the need for social change in areas such as social equality and environmental protection, individuals often avoid supporting such change. Researchers have previously attempted to understand this resistance to social change by examining individuals' perceptions of social issues and social change. We instead examined the possibility that individuals resist social change because they have negative stereotypes of activists, the agents of social change. Participants had negative stereotypes of activists (feminists and environmentalists), regardless of the domain of activism, viewing them as eccentric and militant. Furthermore, these stereotypes reduced participants' willingness to affiliate with ‘typical’ activists and, ultimately, to adopt the behaviours that these activists promoted. These results indicate that stereotypes and person perception processes more generally play a key role in creating resistance to social change. Copyright © 2013 John Wiley & Sons, Ltd.
Bank undercutting and tension failure by groundwater seepage: predicting failure mechanisms
Authors: Fox Garey A. , Felice Rachel G. 
Published: October 2013

ABSTRACTGroundwater seepage can lead to the erosion and failure of streambanks and hillslopes. Two groundwater instability mechanisms include (i) tension failure due to the seepage force exceeding the soil shear strength or (ii) undercutting by seepage erosion and eventual mass failure. Previous research on these mechanisms has been limited to non‐cohesive and low cohesion soils. This study utilized a constant‐head, seepage soil box packed with more cohesive (6% and 15% clay) sandy loam soils at prescribed bulk densities (1.30 to 1.70 Mg m−3) and with a bank angle of 90° to investigate the controls on failure mechanisms due to seepage forces. A dimensionless seepage mechanism (SM) number was derived and evaluated based on the ratio of resistive cohesion forces to the driving forces leading to instability including seepage gradients with an assumed steady‐state seepage angle. Tension failures and undercutting were both observed dependent primarily on the saturated hydraulic conductivity, effective cohesion, and seepage gradient. Also, shapes of seepage undercuts for these more cohesive soils were wider and less deep compared to undercuts in sand and loamy sand soils. Direct shear tests were used to quantify the geotechnical properties of the soils packed at the various bulk densities. The SM number reasonably predicted the seepage failure mechanism (tension failure versus undercutting) based on the geotechnical properties and assumed steady‐state seepage gradients of the physical‐scale laboratory experiments, with some uncertainty due to measurement of geotechnical parameters, assumed seepage gradient direction, and the expected width of the failure block. It is hypothesized that the SM number can be used to evaluate seepage failure mechanisms when a streambank or hillslope experiences steady‐state seepage forces. When prevalent, seepage gradient forces should be considered when analyzing bank stability, and therefore should be incorporated into commonly used stability models. Copyright © 2013 John Wiley & Sons, Ltd.
Network concepts to describe channel importance and change in multichannel systems: test results for the Jamuna River, Bangladesh
Authors: Marra Wouter A. , Kleinhans Maarten G. , Addink Elisabeth A. 
Published: October 2013

ABSTRACTMost of the largest rivers on Earth have multiple active channels connected at bifurcations and confluences. At present a method to describe a channel network pattern and changes in the network beyond the simplistic braiding index is unavailable. Our objectives are to test a network approach to understand the character, stability and evolution of a multi‐channel river pattern under natural discharge conditions. We developed a semi‐automatic method to derive a chain‐like directional network from images that represent the multi‐channel river and to connect individual network elements through time. The Jamuna River was taken as an example with a series of Landsat TM and ETM+ images taken at irregular intervals between 1999 and 2004.We quantified the overall importance of individual channels in the entire network using a centrality property. Centrality showed that three reaches can be distinguished along the Jamuna with a different network character: the middle reach has dominantly one important channel, while upstream and downstream there are about two important channels. Temporally, relatively few channels changed dramatically in both low‐flow and high‐flow periods despite the increase of braiding index during a flood. Based on the centrality we calculated a weighted braiding index that represents the number of important channels in the network, which is about two in the Jamuna River and which is larger immediately after floods.We conclude that the network measure centrality provides a novel characterization of river channel networks, highlighting properties and tendencies that have morphological significance. Copyright © 2013 John Wiley & Sons, Ltd.
Dynamic coefficient evaluation for an algebraic subgrid stress model
Authors: Bhushan S. , Walters D.K. 
Published: October 2013

SUMMARYStatic model coefficients for an algebraic subgrid stress (SGS) model are determined using a dynamic approach, based on results from simulations of isotropic decaying turbulence. The study was motivated by the discrepancies in energy transfer predictions using the previously documented coefficients (Bhushan and Warsi, Int. J. Numer. Meth. Fluids 2005; 49: 489–519). The discrepancies are identified to be due to inconsistent filter functions used in the analytic estimates and the simulations. The study emphasizes that SGS model development should use filter functions compatible with those inherent in CFD application solvers. The dynamic approach predicts consistent model and transfer coefficients for different grid resolutions and is judged to be a reliable basis for model coefficient adjustments. The predicted Leonard's stress coefficient and associated energy transfer coefficients agree very well with the analytic estimates using a Gaussian/cutoff combination filter. This suggests that the modeling of Leonard's stress term using a truncated Taylor series expansion is robust and may not benefit significantly from dynamic modeling. Validation simulations were performed for turbulent channel flow at Reτ = 180 and 590. The dynamic approach was found to be reliable only for the lower log‐layer of the Reτ = 590 case, where the scale invariance condition was satisfied. Nonetheless, in this narrow range, the model and transfer coefficients compare well with the isotropic case. The static coefficient algebraic model with new adjusted coefficients shows improved predictions compared with the previous coefficients, for both isotropic decaying turbulence and channel flow cases. Copyright © 2013 John Wiley & Sons, Ltd.
Emulator Rig for SOFC Hybrid Systems: Temperature and Power Control with a Real‐Time Software
Authors: Caratozzolo F. , Ferrari M. L. , Traverso A. , Massardo A. F. 
Published: October 2013

AbstractThis work is based on the hybrid system emulator plant developed by the Thermochemical Power Group (TPG) of the University of Genoa. This rig is composed of a 100 kW microturbine coupled with high temperature fuel cell emulation devices. A real‐time model is used for components not physically present in the laboratory (solid oxide fuel cell (SOFC), reformer, anodic circuit, off‐gas burner, cathode blower). It is necessary to evaluate thermodynamic and electrochemical performance related to SOFC systems. Using an User Datagram Protocol (UDP) based connection with the control/acquisition software, it generates a hardware‐in‐the‐loop (HIL) facility for hybrid system emulation. Temperature, pressure, and mass flow rate at the recuperator outlet and machine rotational speed are measured in the plant and used as inputs for the model. The turbine outlet temperature (TOT) calculated by the model is fed into the machine control system and the turbine electric load is changed to match the model TOT values (effective plant/model coupling to avoid modifications on microturbine controller). Different tests were carried out to analyze hybrid system technology through the interaction between an experimental plant and a real‐time model. Double step and double ramp tests of current and fuel provided the system dynamic response.
Design and execution of special foundation works for the deep excavations of the Thessaloniki Metro / Projektierung und Anwendung von Spezialtiefbaumethoden bei den tiefen Baugruben der Metro Thessaloniki
Authors: Vrettos Christos , Vassilakopoulou Georgia , Rizos Dimitris 
Published: October 2013

AbstractThe new metro line in Thessaloniki includes, besides the excavation of two twin tunnels, the construction of 13 stations with central platform in settlement‐reducing top‐to‐down construction method. Due to restrictions in available space, it was necessary to dispense with the construction of an inner shell. Further constraints were the soft and highly inhomogeneous soil, the large excavation depths in groundwater, and the earthquake‐resistant design of the structures. The special foundation works executed for permanent uplift safety as well for the soil strengthening in front of the excavation walls are described for representative stations.Die neue U‐Bahn in Thessaloniki umfasst, neben dem Schildvortrieb zweier Röhren, die Errichtung von 13 Bahnhöfen mit zentralem Bahnsteig in verformungsarmer Deckelbauweise. Wegen der engen Platzverhältnisse musste dabei auf eine Innenschale verzichtet werden. Weitere erschwerende Randbedingungen sind der weiche, stark inhomogene Untergrund, die große Aushubtiefe im Grundwasser und die erdbebengerechte Auslegung der Tragkonstruktion. Für typische Bahnhöfe werden die Spezialtiefbaumaßnahmen zur dauerhaften Auftriebssicherung sowie zur Verstärkung des Fußwiderlagers der tiefen Baugruben vorgestellt.
High ozone concentrations on hot days: The role of electric power demand and NOx emissions
Authors: He Hao , Hembeck Linda , Hosley Kyle M. , Canty Timothy P. , Salawitch Ross J. , Dickerson Russell R. 
Published: October 2013

AbstractHigh ambient temperatures intensify photochemical production of tropospheric ozone, leading to concerns that global warming may exacerbate smog episodes. This widely observed phenomenon has been termed the climate penalty factor (CPF). A variety of meteorological and photochemical processes have been suggested to explain why surface ozone increases on hot days. Here, we quantify an anthropogenic factor previously overlooked: the rise of ozone precursor emissions on hot summer days due to high electricity demand. Between 1997 and 2011, power plant emissions of NOx in the eastern U.S. increased by ~2.5–4.0%/°C, raising surface NOx concentrations by 0.10–0.25 ppb/°C. Given an ozone production efficiency (OPE) of ~8 mol/mol based on the 2011 NASA DISCOVER‐AQ campaign, at least one third of the CPF observed in the eastern U.S. can be attributed to the temperature dependence of NOx emissions. This finding suggests that controlling emissions associated with electricity generation on hot summer days can mitigate the CPF.
Application of a new data operator‐splitting data assimilation technique to the 3‐D VERB diffusion code and CRRES measurements
Authors: Shprits Yuri , Kellerman Adam , Kondrashov Dmitri , Subbotin Dmitriy 
Published: October 2013

AbstractIn this study we present 3‐D data assimilation using CRRES data and 3‐D Versatile Electron Radiation Belt Model (VERB) using a newly developed operator‐splitting method. Simulations with synthetic data show that the operator‐splitting Kalman filtering technique proposed in this study can successfully reconstruct the underlying dynamic evolution of the radiation belts. The method is further verified by the comparison with the conventional Kalman filter. We applied the new approach to 3‐D data assimilation of real data to globally reconstruct the dynamics of the radiation belts using pitch angle, energy, and L shell dependent CRRES observations. An L shell time cross section of the global data assimilation results for nearly equatorially mirroring particles and high and low values of the first adiabatic invariants clearly show the difference between the radial profiles of phase space density. At μ = 700 MeV/G cross section of the global reanalysis shows a clear peak in the phase space density, while at lower energy of 70 MeV/G the profiles are monotonic. Since the radial profiles are obtained from one global reanalysis, the differences in the profiles reflect the differences in the underlying physical processes responsible for the dynamic evolution of the radiation belt energetic and relativistic electrons.
SnCl4‐Induced Unsymmetrical Cleavage of Bis(N,N‐diethylcarbamoyltelluro)‐arylmethanes: Generation of Tellurobenzaldehydes
Authors: Shimada Kazuaki , Higashi Takumi , Gong Yaling , Aoyagi Shigenobu , Takikawa Yuji , Ogawa Satoshi 
Published: October 2013

ABSTRACTTellurobenzaldehydes bearing an electron‐withdrawing substituent were generated by way of SnCl4‐induced unsymmetrical cleavage of bis(N,N‐dialkylcarbamoyltelluro)arylmethanes, and were trapped using 2,3‐dimethyl‐1,3‐butadiene.
Two New Naphthoquinone Derivatives from Lysionotus pauciflorus
Authors: Zhong Yu‐Jiao , Wen Qing‐Fa , Li Cong‐Ying , Su Xue‐Hui , Yuan Zhi‐Peng , Li Yan‐Fang 
Published: October 2013

AbstractTwo new naphthoquinones, (2R)‐6,8‐dihydroxy‐α‐dunnione (1), 6,8‐dihydroxy‐2,7‐dimethoxy‐3‐(1,1‐dimethylprop‐2‐enyl)‐1,4‐naphthoquinone (2), together with three known compounds, (2R)‐6,8‐dihydroxy‐7‐methoxy‐α‐dunnione (3), nevadensin (4), and lysioside C (5), were isolated from the whole plant of Lysionotus pauciflorus. Their structures were established by spectroscopic methods. Hydroxylated naphthoquinones are reported to occur in a Lysionotus species for the first time. The cytotoxic activities of compounds 1–3 were evaluated in vitro against a panel of tumor cell lines.
Influence of Guanidinium Salts and Other Ionic Liquids on the Three‐Component Aza‐DielsAlder Reaction
Authors: Mert‐Balci Fadime , Imrich Hans‐Georg , Conrad Jürgen , Beifuss Uwe 
Published: October 2013

AbstractThe three‐component reaction of aniline, benzaldehyde, and dienophiles such as 2,3‐dihydrofuran, ethyl vinyl ether, 2,3‐dihydropyran, and cyclopentadiene can be promoted by ionic liquids like imidazolium salts and guanidinium salts under thermal as well as microwave conditions. The chemical yield as well as the diastereoselectivity of the Povarov reaction strongly depend on the ionic liquid employed. The guanidinium salts can be recycled and reused several times without loss of reactivity.
Now you see it, now you don't – a case of “Vanishing Bone”
Authors: Piggott Bruce 
Published: October 2013

ABSTRACTVanishing bones – no, not the movie fantasy of the “Invisible Man” but a case of a rare disease which causes massive osteolysis or progressive bone dissolution. The idiopathic disease, which causes bone to be replaced by angiomatous tissue, has resulted in the disappearance of this patient's right clavicle and glenoid. Diagnostic evaluation can sometimes prove difficult but ironically in this age of higher technology, plain radiography has demonstrated to be more effective for a definitive diagnosis than Nuclear Medicine, MRI, CT, etc. The rate of progress of the disease is as unpredictable as the prognosis. While a variety of treatments have been tried, the results have been inconsistent and as yet there is still no consensus on successful patient treatment.