bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: A Photo‐Reagent System of Benzimidazoline and Ru(bpy)3Cl2 to Promote Hexenyl Radical Cyclization and Dowd—Beckwith Ring‐Expansion of α‐Halomethyl‐Substituted Benzocyclic 1‐Alkanones.
Authors: Hasegawa Eietsu , Tateyama Minami , Hoshi Tsuneaki , Ohta Taku , Tayama Eiji , Iwamoto Hajime , Takizawa Shin‐ya , Murata Shigeru 
Published: August 2014

AbstractA benzimidazoline ligand in combination with a Ru‐ or Ir‐complex promotes photoinduced electron‐transfer reactions of α‐halomethyl substituted substrates to form primary alkyl radicals via selective C‐halogen bond cleavage.
ChemInform Abstract: An Approach to the Synthesis of 7‐Amino‐6‐imino‐9‐phenyl‐6H‐benzo[c]chromene‐8‐carbonitrile Derivatives via a Three‐Component Reaction under Ultrasonic Irradiation.
Authors: Alizadeh Abdolali , Sedighian Hadi , Ghanbaripour Rashid 
Published: August 2014

AbstractPolysubstituted benzene derivatives (IV) and (VII) are obtained by a simple three‐component one‐pot reaction of salicylaldehydes, malononitrile, and 2‐(1‐arylethylidene)malononitrile.
ChemInform Abstract: Reductive Cross‐Coupling Reactions Between Two Electrophiles
Authors: Knappke Christiane E. I. , Grupe Sabine , Gaertner Dominik , Corpet Martin , Gosmini Corinne , Jacobi von Wangelin Axel 
Published: August 2014

AbstractReview: [state of the art, recent protocols and important mechanistic studies; 50 refs.
Synthesis and Structure–Activity Relationship Studies of 2‐(1,3,4‐Oxadiazole‐2(3H)‐thione)‐3‐amino‐5‐arylthieno[2,3‐b]pyridines as Inhibitors of DRAK2
Authors: Leonczak Piotr , Gao Ling‐Jie , Ramadori Anna Teresa , Lescrinier Eveline , Rozenski Jef , De Jonghe Steven , Herdewijn Piet 
Published: August 2014

AbstractIn recent years, DAPK‐related apoptosis‐inducing protein kinase 2 (DRAK2) has emerged as a promising target for the treatment of a variety of autoimmune diseases and for the prevention of graft rejection after organ transplantation. However, medicinal chemistry optimization campaigns for the discovery of novel small‐molecule inhibitors of DRAK2 have not yet been published. Screening of a proprietary compound library led to the discovery of a benzothiophene analogue that displays an affinity constant (Kd) value of 0.25 μM. Variation of the core scaffold and of the substitution pattern afforded a series of 5‐arylthieno[2,3‐b]pyridines with strong binding affinity (Kd=0.008 μM for the most potent representative). These compounds also show promising activity in a functional biochemical DRAK2 enzyme assay, with an IC50 value of 0.029 μM for the most potent congener. Selectivity profiling of the most potent compounds revealed that they lack selectivity within the DAPK family of kinases. However, one of the less potent analogues is a selective ligand for DRAK2 and can be used as starting point for the synthesis of selective and potent DRAK2 inhibitors.
Design and Synthesis of Aminostilbene–Arylpropenones as Tubulin Polymerization Inhibitors
Authors: Kamal Ahmed , Kumar G. Bharath , Polepalli Sowjanya , Shaik Anver Basha , Reddy Vangala Santhosh , Reddy M. Kashi , Reddy Ch. Ratna , Mahesh Rasala , Kapure Jeevak Sopanrao , Jain Nishant 
Published: August 2014

AbstractA series of aminostilbene—arylpropenones were designed and synthesized by Michael addition and were investigated for their cytotoxic activity against various human cancer cell lines. Some of the investigated compounds exhibited significant antiproliferative activity against a panel of 60 human cancer cell lines of the US National Cancer Institute, with 50 % growth inhibition (GI50) values in the range from <0.01 to 19.9 μM. One of the compounds showed a broad spectrum of antiproliferative efficacy on most of the cell lines, with a GI50 value of <0.01 μM. All of the synthesized compounds displayed cytotoxicity against A549 (non‐small‐cell lung cancer), HeLa (cervical carcinoma), MCF‐7 (breast cancer), and HCT116 (colon carcinoma) with 50 % inhibitory concentration (IC50) values ranging from 0.011 to 8.56 μM. A cell cycle assay revealed that these compounds arrested the G2/M phase of the cell cycle. Two compounds exhibited strong inhibitory effects on tubulin assembly with IC50 values of 0.71 and 0.79 μM. Moreover, dot‐blot analysis of cyclin B1 demonstrated that some of the congeners strongly induced cyclin B1 protein levels. Molecular docking studies indicated that these compounds occupy the colchicine binding site of tubulin.
Using distributed memory parallel computers and GPU clusters for multidimensional Monte Carlo integration
Authors: Szałkowski Dominik , Stpiczyński Przemysław 
Published: August 2014

SummaryThe aim of this paper is to show that the multidimensional Monte Carlo integration can be efficiently implemented on various distributed memory parallel computers and clusters of multicore nodes using recently developed parallel versions of linear congruential generator and lagged Fibonacci generator pseudorandom number generators. We show how to accelerate the overall performance by offloading some computations to Graphics Processing Units (GPUs), and we discuss how to transform Message Passing Interface (MPI) + OpenMP programs to MPI + OpenMP + CUDA model. We explain how to utilize multiple cores of CPUs together with multiple GPU accelerators within a single node and how to achieve reasonable load balancing of all computational resources of GPU‐accelerated multicore nodes. We present and discuss the results of experiments performed on the following target architectures: IBM Blue Gene/Q parallel computer, a cluster of Intel Xeon E5‐2660 servers, and a Tesla‐based GPU cluster with Intel Xeon X5650 multicore processors. The results are presented from two points of view: strong scaling and weak scaling. We also compare the performance of all considered architectures. Copyright © 2014 John Wiley & Sons, Ltd.
Nanostructuring of Self‐Assembled Porphyrin Networks at a Solid/Liquid Interface: Local Manipulation under Global Control
Authors: Coenen Michiel J. J. , Khoury Tony , Crossley Maxwell J. , Hendriksen Bas L. M. , Elemans Johannes A. A. W. , Speller Sylvia 
Published: August 2014

AbstractMolecules of (5,10,15,20‐tetraundecylporphyrinato)‐copper(II) [(TUP)Cu] can self‐assemble into four different polymorphs at the interface between highly oriented pyrolytic graphite and 1‐octanoic acid. Scanning tunneling microscopy (STM) reveals that it is possible to combine the global control over monolayer structure, provided by the composition and concentration of the supernatant solution, with local control, from nanomanipulation by the STM tip. In the initially formed monolayer, with a polymorph composition governed by the concentration of (TUP)Cu in the supernatant solution, the exchange of molecules physisorbed at the solid/liquid interface with those in the liquid is very limited. By using a nanoshaving procedure at the tip, defects are created in the monolayer, and these serve as local manipulation sites to create domains of higher or lower molecular density, and to incorporate a second molecular species, (TUP)Co into the monolayer of (TUP)Cu.
Light‐Accelerated Biocatalytic Oxidation Reactions
Authors: Kochius Svenja , Ni Yan , Kara Selin , Gargiulo Serena , Schrader Jens , Holtmann Dirk , Hollmann Frank 
Published: August 2014

AbstractThe influence of (visible) light on the performance of laccase mediator systems (LMS) was investigated. As a model reaction, LMS‐mediated nicotinamide adenine dinucleotide (NAD+) regeneration to promote alcohol dehydrogenase catalyzed oxidation reactions was examined.
Engineering the Electrochemical Capacitive Properties of Graphene Sheets in Ionic‐Liquid Electrolytes by Correct Selection of Anions
Authors: Shi Minjie , Kou Shengzhong , Yan Xingbin 
Published: August 2014

AbstractGraphene sheet (GS)–ionic liquid (IL) supercapacitors are receiving intense interest because their specific energy density far exceeds that of GS–aqueous electrolytes supercapacitors. The electrochemical properties of ILs mainly depend on their diverse ions, especially anions. Therefore, identifying suitable IL electrolytes for GSs is currently one of the most important tasks. The electrochemical behavior of GSs in a series of ILs composed of 1‐ethyl‐3‐methylimidazolium cation (EMIM+) with different anions is systematically studied. Combined with the formula derivation and building models, it is shown that the viscosity, ion size, and molecular weight of ILs affect the electrical conductivity of ILs, and thus, determine the electrochemical performances of GSs. Because the EMIM–dicyanamide IL has the lowest viscosity, ion size, and molecular weight, GSs in it exhibit the highest specific capacitance, smallest resistance, and best rate capability. In addition, because the tetrafluoroborate anion (BF4−) has the best electrochemical stability, the GS–[EMIM][BF4] supercapacitor has the widest potential window, and thus, displays the largest energy density. These results may provide valuable information for selecting appropriate ILs and designing high‐performance GS–IL supercapacitors to meet different needs.
Panmixia defines the genetic diversity of a unique arthropod‐dispersed fungus specific to Protea flowers
Authors: Aylward Janneke , Dreyer Léanne L. , Steenkamp Emma T. , Wingfield Michael J. , Roets Francois 
Published: August 2014

AbstractKnoxdaviesia proteae, a fungus specific to the floral structures of the iconic Cape Floral Kingdom plant, Protea repens, is dispersed by mites phoretic on beetles that pollinate these flowers. Although the vectors of K. proteae have been identified, little is known regarding its patterns of distribution. Seed bearing infructescences of P. repens were sampled from current and previous flowering seasons, from which K. proteae individuals were isolated and cultured. The genotypes of K. proteae isolates were determined using 12 microsatellite markers specific to this species. Genetic diversity indices showed a high level of similarity between K. proteae isolates from the two different infructescence age classes. The heterozygosity of the population was high (0.74 ± 0.04), and exceptional genotypic diversity was encountered (Ĝ = 97.87%). Population differentiation was negligible, owing to the numerous migrants between the infructescence age classes (Nm = 47.83) and between P. repens trees (Nm = 2.96). Parsimony analysis revealed interconnected genotypes, indicative of recombination and homoplasies, and the index of linkage disequilibrium confirmed that outcrossing is prevalent in K. proteae ( = 0.0067; P = 0.132). The high diversity and panmixia in this population is likely a result of regular gene flow and an outcrossing reproductive strategy. The lack of genetic cohesion between individuals from a single P. repens tree suggests that K. proteae dispersal does not primarily occur over short distances via mites as hypothesized, but rather that long‐distance dispersal by beetles plays an important part in the biology of these intriguing fungi.
Integrative tracking methods elucidate the evolutionary dynamics of a migratory divide
Authors: Alvarado Allison H. , Fuller Trevon L. , Smith Thomas B. 
Published: August 2014

AbstractMigratory divides, the boundary between adjacent bird populations that migrate in different directions, are of considerable interest to evolutionary biologists because of their alleged role in speciation of migratory birds. However, the small size of many passerines has traditionally limited the tools available to track populations and as a result, restricted our ability to study how reproductive isolation might occur across a divide. Here, we integrate multiple approaches by using genetic, geolocator, and morphological data to investigate a migratory divide in hermit thrushes (Catharus guttatus). First, high genetic divergence between migratory groups indicates the divide is a region of secondary contact between historically isolated populations. Second, despite low sample sizes, geolocators reveal dramatic differences in overwintering locations and migratory distance of individuals from either side of the divide. Third, a diagnostic genetic marker that proved useful for tracking a key population suggests a likely intermediate nonbreeding location of birds from the hybrid zone. This finding, combined with lower return rates from this region, is consistent with comparatively lower fitness of hybrids, which is possibly due to this intermediate migration pattern. We discuss our results in the context of reproductive isolating mechanisms associated with migration patterns that have long been hypothesized to promote divergence across migratory divides.
Effects of structured heart failure disease management on mortality and morbidity depend on patients' mood: results from the Interdisciplinary Network for Heart Failure Study
Authors: Gelbrich Götz , Störk Stefan , Kreißl‐Kemmer Sonja , Faller Hermann , Prettin Christiane , Heuschmann Peter U. , Ertl Georg , Angermann Christiane E. 
Published: August 2014

AimsDepression is common in heart failure (HF) and associated with adverse outcomes. Randomized comparisons of the effectiveness of HF care strategies by patients' mood are scarce. We therefore investigated in a randomized trial a structured collaborative disease management programme (HeartNetCare‐HF™; HNC) recording mortality, morbidity, and symptoms in patients enrolled after hospitalization for decompensated systolic HF according to their responses to the 9‐item Patient Health Questionnaire (PHQ‐9) during an observation period of 180 days.Methods and resultsSubjects scoring <12/≥12 were categorized as non‐depressed/depressed, and those ignoring the questionnaire as PHQ‐deniers. Amongst 715 participants (69 ± 12 years, 29% female), 141 (20%) were depressed, 466 (65%) non‐depressed, and 108 (15%) PHQ‐deniers. The composite endpoint of mortality and re‐hospitalization was neutral overall and in all subgroups. However, HNC reduced mortality risk in both depressed and non‐depressed patients [adjusted hazard ratios (HRs) 0.12, 95% confidence interval (CI) 0.03–0.56, P = 0.006, and 0.49, 95% CI 0.25–0.93, P = 0.03, respectively], but not in PHQ‐deniers (HR 1.74, 95% CI 0.77–3.96, P = 0.19; P = 0.006 for homogeneity of HRs). Average frequencies of patient contacts in the HNC arm were 12.8 ± 7.9 in non‐depressed patients, 12.4 ± 7.1 in depressed patients, and 5.5 ± 7.2 in PHQ‐deniers (P < 0.001).ConclusionsEarly after decompensation, HNC reduced mortality risk in non‐depressed and even more in depressed subjects, but not in PHQ‐deniers. This suggests that differential acceptability and chance of success of care strategies such as HNC might be predicted by appropriate assessment of patients' baseline characteristics including psychological disposition. These post‐hoc results should be reassessed by prospective evaluation of HNC in larger HF populations.
Insight into Structure: Function Relationships in a Molecular Spin‐Crossover Crystal, from a Related Weakly Cooperative Compound
Authors: Elhaïk Jérôme , Kilner Colin A. , Halcrow Malcolm A. 
Published: August 2014

AbstractThe ClO4– salt of [FeL2]2+ {L = 2,6‐bis(3‐methylpyrazol‐1‐yl)pyridine} undergoes very gradual thermal spin‐crossover centered just below room temperature. In contrast, the BF4– salt of the same complex exhibits an abrupt and structured spin‐transition at lower temperature, with a complicated structural chemistry. The difference can be attributed to a much larger change in molecular structure between the spin states of the complex in the more cooperative BF4– salt, leading to an increased kinetic barrier for their interconversion. Consistent with that suggestion, the high‐spin and low‐spin structures of weakly cooperative [FeL2][ClO4]2 are almost superimposable.
Flexible Synthesis of Planar Chiral Azoninones and Optically Active Indolizidinones
Authors: Bohland Frank , Erlin Irina , Platte Lukas , Schröder Maike , Schollmeyer Dieter , Nubbemeyer Udo 
Published: August 2014

AbstractThe flexible synthesis of defined substituted optically active indolizidinones starting from chiral pool (S)‐proline and trans 4‐hydroxy‐(S)‐proline is described. Several defined 2‐vinylpyrrolidines were generated in short sequences. The aza‐Claisen rearrangement using chloro and phenylketene equivalents delivered nine‐membered‐ring lactams with up to three stereogenic centres and pS‐arranged E olefins. Depending on the substitution pattern, certain azoninones had a flexible conformation and showed pS/pR double‐bond flipping. Treatment of the unsaturated lactams with the soft electrophile iodine induced diastereoselective transannular ring contractions. Here, the planar chiral arrangement of the azoninone double bond predetermined the bridgehead configuration of the product indolizidinones. Thus, the (S)‐proline starting materials could be used to gain access to either one of the two antipodal series of indolizidinone products. The indolizidinone scaffolds should serve as versatile key intermediates in the synthesis of natural products and pharmaceutically important molecules.
Lithiation of an Iron Oxide‐Based Anode for Stable, High‐Capacity Lithium‐Ion Batteries of Porous Carbon–Fe3O4/Li[Ni0.59Co0.16Mn0.25]O2
Authors: Ming Jun , Kwak Won Jin , Youn Sung Jun , Ming Hai , Hassoun Jusef , Sun Yang‐Kook 
Published: August 2014

AbstractThe lithium storage capacity of an iron oxide‐based anode of porous carbon–Fe3O4 (i.e., PC–Fe3O4) was investigated by varying the initial current and mass density of the electrode to achieve a good utilization coefficient of the oxide. It was confirmed that these factors largely affected the capacity of PC–Fe3O4 and a certain mass density of the electrode was key to achieve a high area capacity (μAh cm−2). Moreover, the chemical and electrochemical lithiation of PC–Fe3O4 were related to the lithiation time and pressure and both were both systemically studied. After optimization, a new battery of PC–Fe3O4/Li[Ni0.59Co0.16Mn0.25]O2 with a high area capacity of 748 μAh cm−2 (≈150 mAh g−1) and superior energy density of 483 Wh kg−1 (work voltage≈3.2 V) was developed. The battery showed reversible work ability in the rate window of 50–800 mA g−1, and also it could be charged/discharged for well over 1000 cycles with a capacity retention of 63.8 % under the high current value of 0.505 mA (current density, 50 mA g−1).
Transformation of P2S5 into a Solid Electrolyte with Ionic Conductivity at the Positive Composite Electrode of All‐Solid‐State Lithium–Sulfur Batteries
Authors: Nagata Hiroshi , Chikusa Yasuo 
Published: August 2014

AbstractBattery performance of an all‐solid‐state lithium–sulfur (Li–S) cell with a P2S5‐based positive composite electrode was investigated in the absence of solid electrolyte at the positive composite electrode. In the positive composite electrode, P2S5 without ionic conductivity was transformed into a solid electrolyte with ionic conductivity by incorporating lithium ions into P2S5 during the first charge–discharge cycle. Therefore, the all‐solid‐state Li–S cell with P2S5‐based positive composite electrode behaved as a secondary battery. This positive composite electrode is very low cost because it did not use an expensive solid electrolyte. In addition to using a cost‐effective positive composite electrode with a sulfur content of 60 wt %, the all‐solid‐state Li–S cell exhibited an extremely high capacity of 1042 mAh g−1 under 6.4 mA cm−2 at 25 °C.
A High‐Capacity Tellurium@Carbon Anode Material for Lithium‐Ion Batteries
Authors: Zhang Juan , Yin Ya‐Xia , You Ya , Yan Yang , Guo Yu‐Guo 
Published: August 2014

AbstractThe electrochemical properties of helical‐chain Ten molecules confined in a microporous carbon host (MPC) are reported here, showing potential as an attractive anode for Lithium‐ion batteries. These confined Ten molecules provide a high reversible volumetric capacity of 2558 mAh cm−3, with a redox potential of 1.5 V (vs. Li+/Li) (≈4.2 times higher than that of a Li4Ti5O12 anode, 613 mAh cm−3, 1.55 V vs. Li+/Li). The anode also exhibits an excellent high‐rate capability (998 mAh cm−3 at 10 C) and admirable long‐term cyclic stability (capacity retention of 85 % over 1000 cycles), benefiting from the good confinement of the MPC host and intrinsically superior conductivity of Ten chains inside it. Furthermore, a new type of Li‐ion full cell is successfully constructed with this tellurium@carbon anode and a traditional LiMn0.33Ni0.33Co0.33O2 cathode, which shows outstanding performance. All these unique merits show promise for the tellurium‐molecule‐based material as an attractive anode for building next‐generation Li‐ion batteries with high energy density and safe operation.
Thermal degradation of epoxy resin/carbon fiber composites: Influence of carbon fiber fraction on the fire reaction properties and on the gaseous species release
Authors: Dao Duy Quang , Rogaume Thomas , Luche Jocelyn , Richard Frank , Bustamante Valencia Lucas , Ruban Sindonie 
Published: August 2014

SummaryThe thermal degradation of epoxy resin/carbon fiber composites has been performed in ISO 5660 standard cone calorimeter using a piloted ignition. Two kinds of composites that differ by their volume fractions in carbon fiber (56 and 59 vol.%) were tested in this study. The cone calorimeter irradiance level was increased up to 75 kW m−2 to characterize the carbon fiber volume fraction influence on the composite thermal degradation. Thus, main flammability and combustibility parameters were determined and calculated such as mass loss, mass loss rate, ignition time, thermal response parameter, ignition temperature, thermal inertia, and heat of gasification. As a result, all the characteristic parameters for the thermal resistance of composites were decreased when the carbon fiber volume fraction increased. Moreover, the main gaseous products (such as NO, CO, CO2, HCN, H2O, and lightweight hydrocarbons) emitted as well as the oxygen consumption during the composite thermal decomposition were also quantified simultaneously with a portable gas analyzer and a Fourier transform infrared spectrometer. The main species emission yields calculated from the gas analysis results increased slightly when the carbon fiber volume fraction was increased in the initial sample. The epoxy composite was represented as a sooty material with a significant production of soot particles during the combustion process. Furthermore, heat release rate, total heat release, and effective heat of combustion were calculated by using the oxygen consumption calorimetry technique. The results obtained showed that a small increasing of composite carbon fiber amount induced a sharp decrease of heat release rate and total heat release. Copyright © 2014 John Wiley & Sons, Ltd.
FURTHER STUDIES OF THE VALIDITY OF COMPONENTS OF THE U. S. NAVAL POSTGRADUATE SCHOOL TEST
Authors: Mollenkopf William G. 
Published: August 2014

ABSTRACTThe U. S. Naval Postgraduate School Test, Form ZNP, was the outcome of a three‐year research program carried out by Educational Testing Service for the Naval Postgraduate School. During this three‐year period, three experimental batteries were developed and tried out at the School, with subsequent validation against criteria of academic success.The operational test consists of Mathematics Aptitude, Advanced Mathematics, Physical Science and Engineering, Interpretation of Scientific Data, and Experimental Science sections. This report presents further information on the effectiveness of these sections for predicting success at the School, based on further validation of tests given in 1949 and 1950 which correspond to the sections of Form ZNP. (No direct validation of scores on Form ZNP is as yet possible, since at this date officers selected through its use have not yet entered the School.)Two main outcomes of the study are (1) for the most part, results corroborate earlier findings as to test validity; and (2) the effectiveness of the tests given “in the fleet” in the fall of 1949 was considerably lower than when the same tests were given at the School.