bluuebunny/crossref_metadata_2025_split huggingface dataset:
Multistep Flow Synthesis of 5‐Amino‐2‐aryl‐2H‐[1,2,3]‐triazole‐4‐carbonitriles
Authors: Jacq Jérôme , Pasau Patrick 
Published: July 2014

Abstract1,2,3‐Triazole has become one of the most important heterocycles in contemporary medicinal chemistry. The development of the copper‐catalyzed Huisgen cycloaddition has allowed the efficient synthesis of 1‐substituted 1,2,3‐triazoles. However, only a few methods are available for the selective preparation of 2‐substituted 1,2,3‐triazole isomers. In this context, we decided to develop an efficient flow synthesis for the preparation of various 2‐aryl‐1,2,3‐triazoles. Our strategy involves a three‐step synthesis under continuous‐flow conditions that starts from the diazotization of anilines and subsequent reaction with malononitrile, followed by nucleophilic addition of amines, and finally employs a catalytic copper(II) cyclization. Potential safety hazards associated with the formation of reactive diazonium species have been addressed by inline quenching. The use of flow equipment allows reliable scale up processes with precise control of the reaction conditions. Synthesis of 2‐substituted 1,2,3‐triazoles has been achieved in good yields with excellent selectivities, thus providing a wide range of 1,2,3‐triazoles.
Benzimidazole Derivatives: Synthesis, Physical Properties, and n‐Type Semiconducting Properties
Authors: Mamada Masashi , Pérez‐Bolívar César , Kumaki Daisuke , Esipenko Nina A. , Tokito Shizuo , Anzenbacher Pavel 
Published: July 2014

AbstractA series of new benzimidazole derivatives were synthesized by the solid‐state condensation and direct sublimation (SSC‐DS) method and their physical properties were investigated. The reaction yields and product stability were significantly affected by the identity of the diamine and anhydride substituents. On the other hand, the substituents of the benzimidazole ring allowed fine tuning of the emission maxima, fluorescence quantum yields, and redox potentials. The HOMO–LUMO levels were estimated by cyclic voltammetry in film on indium tin oxide (ITO) and compared with values obtained by other methods. The described benzimidazoles showed high crystallinity, which is attributed to a high planarity and interactions between carbon and heteroatoms. These compounds showed n‐type semiconducting behavior in organic field‐effect transistors (OFETs). Optimized devices for fluorinated NTCBI (naphthalene tetracarboxylic bisbenzimidazole) showed respectable electron mobilities of ∼10−2 cm2 V−1 s−1.
Gold(I)‐Catalyzed Furan‐yne Cyclizations Involving 1,2‐Rearrangement: Efficient Synthesis of Functionalized 1‐Naphthols and Its Application to the Synthesis of Wailupemycin G
Authors: Chen Yifeng , Wang Lu , Sun Ning , Xie Xin , Zhou Xiaobo , Chen Haoyi , Li Yuxue , Liu Yuanhong 
Published: July 2014

AbstractGold‐catalyzed cascade cyclization/1,2‐rearrangement of 1‐(2‐furanyl)phenyl propargyl alcohols has been developed, which provides a rapid and efficient access to multisubstituted 1‐naphthols bearing an enal or enone moiety with high stereoselectivity. The (Z)‐ or (E)‐stereochemistry can be easily controlled by choosing protected‐ or non‐protected substrates. The utility of the methodology has been illustrated in the first total synthesis of wailupemycin G.
Phosphaketenes as Building Blocks for the Synthesis of Triphospha Heterocycles
Authors: Heift Dominikus , Benkő Zoltán , Grützmacher Hansjörg 
Published: July 2014

AbstractUnsaturated phosphorus compounds, such as phosphaalkenes and phosphaalkynes, show a versatile reactivity in cycloadditions. Although phosphaketenes (RPCO) have been known for three decades, their chemistry has remained limited. Herein, we show that heteroatom‐substituted phosphaketenes, R3EPCO (E=Si, Sn), are building blocks for silyl‐ and stannyl‐substituted five‐membered heterocycles containing three phosphorous atoms. The structure of the heterocyclic anion depends on the nature of the tetrel atom involved. Although the silyl analogue [P3C2(OSiR3)2]− is an aromatic 1,2,4‐triphospholide, the stannyl compound [P(CO)2(PSnR3)2]− is a 1,2,4‐triphosphacyclopenta‐3,5‐dionate with a delocalized OCPCO fragment. Because of their anionic character, these compounds can easily be used as building blocks, for example, in the preparation of a silyl‐functionalized hexaphosphaferrocene or the parent 1,2,4‐triphosphacyclopenta‐3,5‐dionate [P(CO)2(PH)2]−. NMR spectroscopic investigations and computations have shown that the heterocycle‐formation reactions presented herein are remarkably complex.
Multifunctional Inorganic Nanocontainers for DNA and Drug Delivery into Living Cells
Authors: Lülf Henning , Bertucci Alessandro , Septiadi Dedy , Corradini Roberto , De Cola Luisa 
Published: July 2014

AbstractInvited for the cover of this issue is the group of Luisa De Cola at the University of Strasbourg, ISIS, (France) and her collaborator, Roberto Corradini from Università degli Studi di Parma (Italy). Their study demonstrates the use of multifunctional zeolite L nanoparticles for the simultaneous delivery of foreign DNA and organic molecules into living cells. The fate and the kinetics of the different labeled components have been followed by confocal microscopy. Read the full text of the article at 10.1002/chem.201403232.
Micropetrographic Classification of Solid Residues from Lignite Upgrading with the Reflected Light Microscope
Authors: Hamann Henny , Volkmann Norbert , Vogt Kristin , Burkhardt Saskia 
Published: July 2014

AbstractFür die Kohleveredlung mittels Pyrolyse bzw. Hydrierung ist eine Vorhersage des komplexen Prozessverhaltens einer Kohle von besonderer Bedeutung. Einen Ansatz hierfür bildet die systematische mikropetrographische Untersuchung der festen Prozessrückstände. Dabei wurde eine dreigeteilte Klassifikation erstellt, welche die Residualkomponenten in originäre Kohlenmacerale, verkokte Anteile und den anorganischen Rückstand gliedert. Neben einer allgemeingültigen Nomenklatur werden die Komponenten als Indikatoren für den Prozessablauf angesehen und mögliche Hinweise zur Prozessoptimierung gegeben.
Experimental Investigation of Primary Fragmentation of Coal Particles in a Drop‐DSC
Authors: Friedemann Jan , Baitalow Felix , Ceia Tiago F. , Rußig Sascha , Meyer Bernd 
Published: July 2014

AbstractIn der vorliegenden Arbeit wurde das Partikelzerfallsverhalten von 18 Kohlen unter Hochtemperaturbedingungen in einem Drop‐Kalorimeter untersucht. Dabei zeigt sich, dass das Fragmentierungsverhalten stark von der eingesetzten Kohle abhängt, aber tendenziell mit zunehmendem Inkohlungsgrad ansteigt. Weiterhin wurde festgestellt, dass der Fragmentierungsfaktor mit steigender Temperatur und Partikelgröße stark zunimmt. Voraussetzung dafür ist jedoch, dass ein kritischer Wert der Temperatur und der Partikelgröße überschritten wird.
Experimental investigation of simultaneous water and CO2 (SWACO2) injection for oil recovery in immiscible and near‐miscible conditions: A comparative study
Authors: Seyyedsar Seyyed Mehdi , Ghazanfari Mohammad Hossein , Taghikhani Vahid 
Published: July 2014

AbstractA simultaneous water and CO2 injection to a dead crude oil has been performed on sandstone cores to evaluate oil recovery under secondary immiscible, secondary near‐miscible, tertiary immiscible, and tertiary near‐miscible injection modes. It is demonstrated that secondary SWACO2 injection as well as tertiary flood is an effective method for oil/residual oil recovery from oil‐saturated/water flooded porous media. In near‐miscible condition, oil recovery is higher than in immiscible condition because there is another active pore‐scale production mechanism in near‐miscible injection besides volumetric displacement mechanism. In secondary near‐miscible SWACO2 injection, the ultimate oil recovery increases by increasing SWAG ratio from 0.2 to 0.4 but due to some limits, e.g., topological effects, prohibiting contact of injected gas with residual oil in pores, altering SWAG ratio from 0.4 to 0.6 showed no essential effect on ultimate oil recovery. Secondary SWACO2 injection can recover higher fraction of oil than tertiary SWACO2 injection. This higher oil recovery results from the oil being more accessible by injected gas due to less water‐shielding effects. The results of this work can be helpful to better recognition and selection of gas‐based oil recovery methods to be implemented in depleted reservoirs.
Precise Recovery of the Earth's Gravitational Field by Grace Follow‐On Satellite Gravity Gradiometry Method
Authors: Wei ZHENG , Hou‐Tse HSU , Min ZHONG , Mei‐Juan YUN 
Published: July 2014

AbstractBecause the twin GRACE Follow‐On satellites are equivalent to the one‐dimensional horizontal gravity gradiometer with a baseline length of the intersatellite range, the feasibility demonstrations on precisely and rapidly recovering the next‐generation Earth's gravitational field by the GRACE Follow‐On satellite gravity gradiometry method (GFO‐SGGM) are carried out in this study. The research results are as follows: Firstly, based on the GRACE Follow‐On satellite gravity gradiometry method, using the orbital parameters of the satellite (e.g. orbital altitude of 250 km, intersatellite range of 50 km, orbital inclination of 89° and orbital eccentricity of 0.001), the measurement precisions of key payloads (e.g. 10−6 m in intersatellite range, 10−7 m·s−1 in intersatellite range‐ rate and 10−10 m·s−2 in intersatellite range‐acceleration by the interferometric laser ranging system, 10−3 m in orbital position and 10−6 m·s−1 in orbital velocity by the GPS receiver, and 10−11 m·s−2 in non‐conservative force by the accelerometer), a 30‐day observation time and a sampling interval of 10 s, the Earth's gravitational field complete up to degree and order 120 is accurately recovered, and the cumulative geoid height error is 9.331×10−4 m at degree 120. Secondly, in 120 degrees, the accuracy of the gravity recovery from the future twin GRACE Follow‐On satellites is averagely improved by about 61 times than that from the current twin GRACE satellites. Therefore, the GRACE Follow‐On satellite gravity gradiometry method promisingly becomes a preferred approach for further improving the determination accuracy of the next‐generation Earth gravity field model. Finally, the advantages of the next‐generation GRACE Follow‐On mission as compared with the present GRACE mission principally consist of the lower orbital altitude of the satellite between 200 km and 300 km, the higher measurement accuracy of the space‐borne instruments between 10−7 m·s−1 and 10−9 m·s−1 and the shorter intersatellite range between 50 km and 100 km.
Effect of Deposition Rate on Geothermal Field in the Bozhong Depression, Bohai Bay Basin
Authors: Wen‐Zheng LI , Ya‐Xian JIAO , Yin‐Hui ZUO , Xin‐Ying SONG , Nan‐Sheng QIU 
Published: July 2014

AbstractThermal anomalies can be caused by fast and intensive tectonism in sedimentary basins. So such thermal anomalies should be eliminated when the thermal history is used to reveal the geodynamic process at depth. In this work, based on the dynamic‐instantaneous heat conduction theory, geothermal correction of 3 typical wells in the Bozhong Depression was carried out. The results indicate that the Paleogene rapid subsidence in the Bozhong depression leads to the present geothermal disequilibrium, where average heat flow at present is about 60.9 mW·m−2, but a higher heat flow 67.4 mW·m−2 is yielded after correction of the low thermal anomalies. The average thermal lithosphere thickness in the Bozhong depression is about 70 km, calculated by using the corrected heat flow, which is 13∼28 km thinner than before correction (82∼100 km), consistent with that from geophysical and xenoliths analyses.
Are 1,4‐ and 1,5‐Disubstituted 1,2,3‐Triazoles Good Pharmacophoric Groups?
Authors: Massarotti Alberto , Aprile Silvio , Mercalli Valentina , Del Grosso Erika , Grosa Giorgio , Sorba Giovanni , Tron Gian Cesare 
Published: July 2014

AbstractOver the last decade, 1,2,3‐triazoles have received increasing attention in medicinal chemistry thanks to the discovery of the highly useful and widely applicable 1,3‐dipolar cycloaddition reaction between azides and alkynes (click chemistry) catalyzed by copper salts and ruthenium complexes. After a decade of medicinal chemistry research on 1,2,3‐triazoles, we feel that the time is ripe to demonstrate the real ability of this heterocycle to participate in important and pivotal binding interactions with biological targets while maintaining a good pharmacokinetic profile. In this study, we retrieved and analyzed X‐ray crystal structures of complexes between 1,2,3‐triazoles and either proteins or DNA to understand the pharmacophoric role of the triazole. Furthermore, the metabolic stability, the capacity to inhibit cytochromes, and the contribution of 1,2,3‐triazoles to the overall aqueous solubility of compounds containing them have been analyzed. This information should furnish fresh insight for medicinal chemists in the design of novel bioactive molecules that contain the triazole nucleus.
Double GC:GC Mismatch in dsDNA Enhances Local Dynamics Retaining the DNA Footprint: A High‐Resolution NMR Study
Authors: Ghosh Anirban , Kar Rajiv Kumar , Krishnamoorthy Janarthanan , Chatterjee Subhrangsu , Bhunia Anirban 
Published: July 2014

AbstractMutations in the genome are responsible for several fatal genetic disorders. The default DNA repair mechanism restores the malfunction of the gene caused by mutation to maintain functional regularity and sequential integrity of the cell. Here, we have elucidated the NMR structure and the dynamics of GC mismatched DNA (PDB code: 2MJX) and found that the mismatched DNA still retains the typical B‐type helical form, but in the process introduces backbone distortion resulting from frame‐shifted base pairs.
Non‐clairvoyant reduction algorithms for heterogeneous platforms
Authors: Benoit A. , Canon L.‐C. , Marchal L. 
Published: July 2014

SummaryWe revisit the classical problem of the reduction collective operation in a heterogeneous environment. We discuss and evaluate four algorithms that are non‐clairvoyant, that is, they do not know in advance the computation and communication costs. On the one hand, Binomial‐stat and Fibonacci‐stat are static algorithms that decide in advance which operations will be reduced, without adapting to the environment; they were originally defined for homogeneous settings. On the other hand, Tree‐dyn and Non‐Commut‐Tree‐dyn are fully dynamic algorithms, for commutative or non‐commutative reductions. We show that these algorithms are approximation algorithms with constant or asymptotic ratios. We assess the relative performance of all four non‐clairvoyant algorithms with heterogeneous costs through a set of simulations. Our conclusions hold for a variety of distributions. Copyright © 2014 John Wiley & Sons, Ltd.
Electrochemical Characterization of Gel Electrolytes for Aqueous Lithium‐Ion Batteries
Authors: Stojadinović Jelena , Dushina Anastasiya , Trócoli Rafael , La Mantia Fabio 
Published: July 2014

AbstractThe augmentation of the operating voltage span of water‐based electrolytes would render aqueous lithium‐ion batteries nearer to real application, as a substitute for high‐power lithium‐ion batteries. The possibility for improving the electrochemical stability window of the water‐based solutions 2 M Li2SO4 and 4 M LiClO4 by adding different gelling agents is investigated here by addressing the cathodic and anodic domains of the stability window separately. The conductivity of all electrolytes and the corresponding activity of water are determined using electrochemical impedance spectroscopy and mass spectrometry, respectively. The stability window is assessed by alternating high (±100 μA cm−2) and low (±10 μA cm−2) current densities in a chronopotentiometric mode, thereby simulating the self‐discharge performance of batteries under operating conditions. In the case of Li2SO4‐based solutions, the addition of gelling agents (carboxymethyl cellulose and agar) results in the enlargement of the stability window and in the reduction of the electrolyte ionic conductivity.
A Direct Three‐Component Reaction for the Isolation of a Nonanuclear Iron(III) Phosphonate
Authors: Goura Joydeb , Liu Junjie , Goddard Paul , Chandrasekhar Vadapalli 
Published: July 2014

AbstractThe synthesis, structure, and magnetism of a nonanuclear iron(III) phosphonate, [Fe9III(μ3‐O)4(O3PC5H9)3(O2CCMe3)13]·(EtOH)0.5·(Et2O)0.5 (1), is described. Compound 1 was obtained in the direct reaction of anhydrous ferric chloride, cyclopentylphosphonic acid, and pivalic acid in the presence of triethylamine. Compound 1 possesses a distorted icosahedral structure; nine of the vertices are occupied by FeIII, whereas three others are occupied by the phosphorus atoms of the cyclopentylphosphonate ligand. Mössbauer spectroscopy of 1 confirms the presence of high‐spin FeIII. Low‐temperature magnetic studies reveal the presence of strong antiferromagnetic coupling between the Fe3+ ions.
Pd Nanoparticles Immobilized on Nanosilica Triazine Dendritic Polymer: A Reusable Catalyst for the Synthesis of Mono‐, Di‐, and Trialkynylaromatics by Sonogashira Cross‐Coupling in Water
Authors: Landarani Isfahani Amir , Mohammadpoor‐Baltork Iraj , Mirkhani Valiollah , Khosropour Ahmad R. , Moghadam Majid , Tangestaninejad Shahram 
Published: July 2014

AbstractPalladium nanoparticles immobilized on nano‐silica triazine dendritic polymer (Pdnp‐nSTDP) was found to be a highly effective catalyst for the Sonogashira cross‐coupling of aryl halides (iodides, bromides, and chlorides) with aromatic and aliphatic terminal alkynes. This reaction was best performed in water as a green solvent in the presence of just 0.01 mol‐% of the catalyst at room temperature. Efficient synthesis of V‐ and star‐shaped polyalkynylated molecules with a benzene, pyridine, or pyrimidine central core was also achieved through Sonogashira cross‐coupling of dihalo and trihalo aromatics with terminal alkynes in the presence of this catalytic system. The Pdnp‐nSTDP catalyst was easily recovered and reused several times without significant loss of reactivity.
Preparation, Characterization and Electrochemical Behavior of Pd‐Au Alloy Incorporated into Zeolites/Graphite Electrodes
Authors: El‐Shafei A. A. , Alakl A. , Ouf A. M. 
Published: July 2014

AbstractThe present article reports the preparation of Pd‐Au alloy incorporated into NaY zeolites layer via simple immersion technique. Pd‐Au particles were incorporated into zeolites cages via Co‐impregnation or alternate impregnation of metal ions. Cyclic voltammetry was used to evaluate the state of the modified electrodes in alkaline media. Surface morphology as well as elemental composition of the modified layer were examined using Scanning electron microscopy (SEM) and energy dispersive X‐ray (EDX).
Characterization of the role of adult neurogenesis in touch‐screen discrimination learning
Authors: Swan Alicia A. , Clutton Jonathan Edward , Chary Priyanka Kesavan , Cook Sarah G. , Liu Grace G. , Drew Michael R. 
Published: July 2014

ABSTRACTRecent theories posit that adult neurogenesis supports dentate gyrus pattern separation and hence is necessary for some types of discrimination learning. Using an inducible transgenic mouse model, we investigated the contribution of adult‐born neurons to spatial and nonspatial touch‐screen discriminations of varying levels of difficulty. Arresting neurogenesis caused a modest but statistically significant impairment in a position discrimination task. However, the effect was present only on trials after a learned discrimination was reversed, suggesting that neurogenesis supports cognitive flexibility rather than spatial discrimination per se. The deficit was present 4–10 weeks after the arrest of neurogenesis but not immediately after, consistent with previous evidence that the behavioral effects of arresting neurogenesis arise because of the depletion of adult‐born neurons at least 1 month old. The arrest of neurogenesis failed to affect a nonspatial brightness discrimination task that was equal in difficulty to the spatial task. The data suggest that adult neurogenesis is not strictly necessary for spatial or perceptual discrimination learning and instead implicate adult neurogenesis in factors related to reversal learning, such as cognitive flexibility or proactive interference. © 2014 Wiley Periodicals, Inc.
Regulation of Osteoclastogenesis by Integrated Signals From Toll‐Like Receptors
Authors: Krisher Tamar , Bar‐Shavit Zvi 
Published: July 2014

ABSTRACTA variety of pathogen‐derived molecules have been shown to cause bone loss by enhancing osteoclast differentiation through activation of toll‐like receptors (TLRs). The pathogen‐derived molecules (TLR‐ligands) modulate osteoclastogenesis in a complex manner: inhibition of the osteoclast differentiation factor RANKL in early precursors and osteoclastogenesis stimulation in RANKL‐primed cells. Since organisms may be challenged by several TLR ligands at a time, we investigated osteoclastogenesis modulation by simultaneous challenge with different TLR ligands. As an example we used ligands for TLR3 (Synthetic double stranded RNA [dsRNA], polyinosinic‐polycytidylic acid [poly(I:C)] mimicking viral dsRNA), TLR4 (lipopolysaccharide [LPS], found in the outer membrane of Gram‐negative bacteria) and TLR9 (Synthetic oligodeoxynucleotide mimicking bacterial DNA [CpG‐ODN]). In osteoclastogenesis‐inhibition, synergy between LPS and CpG‐ODN or LPS and poly(I:C) while in stimulation, synergy between LPS and CpG‐ODN or CpG‐ODN and poly(I:C) were observed. Modulation of molecules involved in osteoclastogenesis (c‐Fos, M‐CSF receptors [M‐CSFR], TNF‐α, IL‐6, and IL‐12 and the three TLRs tested) was examined. The results indicate that M‐CSFR plays a role only in the inhibitory effect while c‐Fos plays a role in the two effects. TLR3 and TLR9 levels were increased by the TLRs ligands, suggesting that this may be part of the mechanism leading to the synergy. While TLRs activation in RANKL‐primed cells, increasing osteoclastogenesis, explains pathogen‐induced bone loss, activation of TLRs in early cells inhibiting osteoclastogenesis could attenuate excessive resorption, and promote differentiation of common precursor cells into inflammatory cells. The synergism between TLR ligands enables the individual to initiate response at a lower level of pathogen. J. Cell. Biochem. 115: 2146–2154, 2014. © 2014 Wiley Periodicals, Inc.