bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Molecular Recognition of Ketomalonates by Asymmetric Aldol Reaction of Aldehydes with Secondary‐Amine Organocatalysts.
Authors: Kano Taichi , Song Sunhwa , Maruoka Keiji 
Published: October 2012

AbstractThe asymmetric aldol reaction of malonate (I) with aldehydes (II) in the presence of an L‐proline tetrazole analogue as a catalyst leads to alcohols (III), whilst the use of a chiral dibenzo[c,e]azepine catalyst (DMBAT) affords diastereomers (V).
ChemInform Abstract: One‐Step Synthesis of Reusable, Polymer‐Supported Trialkyl Phosphine Ligands. Application in Suzuki—Miyaura and Alkoxycarbonylation Reactions.
Authors: Ullah Ehsan , McNulty James , Sliwinski Marcin , Robertson Al 
Published: October 2012

AbstractAryl bromides or iodides can be used as efficient substrates, whereas a chloride is ineffective.
ChemInform Abstract: A Route for Synthesis of 1,3,5‐Trisubstituted Naphthalenes by Reaction of ortho‐Substituted Benzylisoquinolium Bromides with α,β‐Unsaturated Ketones
Authors: Gupta K. C. , Gupta Vandana , Gupta A. K. , Chaudhary V. K. , Gupta S. K. , Srivastava S. , Gupta M. K. 
Published: October 2012

Abstract39 examples
ChemInform Abstract: Modular Three‐Component Organocatalytic Synthesis of 3,4‐Disubstituted Pyrroles by a One‐Pot Domino Reaction.
Authors: Martin‐Santos Cecilia , Jarava‐Barrera Carlos , Parra Alejandro , Esteban Francisco , Navarro‐Ranninger Carmen , Aleman Jose 
Published: October 2012

AbstractA new organocatalytic synthesis of 3,4‐disubstituted pyrroles is presented, involving the one‐pot, two‐step reaction of aldehydes, e.g. (I), with gem‐bromonitroalkenes, e.g. (II), and amines, e.g. (III).
ChemInform Abstract: Catalytic Procedures for Multicomponent Synthesis of Imidazoles: Selectivity Control During the Competitive Formation of Tri‐ and Tetrasubstituted Imidazoles.
Authors: Kumar Dinesh , Kommi Damodara N. , Bollineni Narendra , Patel Alpesh R. , Chakraborti Asit K. 
Published: October 2012

AbstractThe catalytic potential of different fluoroboric acid‐derived catalyst systems is investigated for the cyclocondensation reaction of α‐diketones (I), aldehydes (II) and ammonium salt to form trisubstituted imidazoles (III) as well as the four component reaction using an additional amine (V) to afford tetrasubstituted derivatives (VI).
ChemInform Abstract: Four‐Component Synthesis of Disubstituted 1,3,4‐Oxadiazole Derivatives from Cinnamaldehyde, an Aromatic Carboxylic Acid, a Secondary Amine, and N‐Isocyaniminotriphenylphosphorane.
Authors: Ramazani Ali , Kalhor Robabe , Rezaei Aram , Karimi Zahra 
Published: October 2012

AbstractThe reported method offers a simple access to disubstituted 1,3,4‐oxadiazoles (V).
ChemInform Abstract: PEG400‐Lithium Carbonate Catalyzed Synthesis of 1,4‐Dihydropyridines under Solvent‐Free Conditions.
Authors: Reddy B. Palakshi , Rajesh K. , Vijayakumar V. 
Published: October 2012

AbstractA solvent‐free Hantzsch dihydropyridine synthesis in the presence of PEG400—lithium carbonate as catalytic system is described.
ChemInform Abstract: Multi‐Component Anion Relay Cascade of 1‐Acetylcyclopropanecarboxamides, Aldehydes and Acrylonitrile: Access to Biscyanoethylated Furo[3,2‐c]pyridinones.
Authors: Lin Shaoxia , Wei Ying , Liang Fushun , Zhao Baozhong , Liu Yanling , Liu Pengjun 
Published: October 2012

AbstractA highly efficient and atom‐economical synthesis of the novel title compounds is developed by construction of up to five bonds in an one‐pot reaction.
ChemInform Abstract: Design, Synthesis and Biological Evaluation of Novel Imidazopyridine as Potential Antidiabetic GSK3β Inhibitors.
Authors: Lee Seung‐Chul , Kim Hyun Tae , Park Choul‐Hong , Lee Do Young , Chang Ho‐Jin , Park Soobong , Cho Joong Myung , Ro Sunggu , Suh Young‐Ger 
Published: October 2012

AbstractCompound (I), selected as a potential drug candidate for the treatment of type 2 diabetes mellitus, exhibits excellent GSK3β inhibition, pharmacokinetic profiles and blood glucose lowering effect in mouse.
ChemInform Abstract: 4H‐Dithieno[2,3‐b:3′,2′‐e][1,4]thiazines — Synthesis and Electronic Properties of a Novel Class of Electron‐Rich Redox Systems.
Authors: Dostert Catherine , Wanstrath Claudia , Frank Walter , Mueller Thomas J. J. 
Published: October 2012

AbstractIn the case where electron‐poor aromatic amines are used the yield can be increased by dielectric heating at 160 °C.
ChemInform Abstract: Zeolite Supported Broensted‐Acid Ionic Liquids: An Eco Approach for Synthesis of Spiro[indole‐pyrido[3,2‐e]thiazine] in Water under Ultrasonication.
Authors: Arya Kapil , Rawat Diwan Singh , Sasai Hiroaki 
Published: October 2012

AbstractThe yield of title compounds (IV) is increased in the presence of ultrasonication compared to those of conventional and microwave techniques.
ChemInform Abstract: General and Selective Copper‐Catalyzed Reduction of Tertiary and Secondary Phosphine Oxides: Convenient Synthesis of Phosphines.
Authors: Li Yuehui , Das Shoubhik , Zhou Shaolin , Junge Kathrin , Beller Matthias 
Published: October 2012

AbstractThe novel title reaction uses a mild reducing agent and tolerates substrates with other reducible functional groups.
ChemInform Abstract: Esterification of Terpene Alcohols Catalyzed by Acidic Broensted Ionic Liquids.
Authors: Gaudino E. Calcio , Cravotto G. , Garella D. , Tagliapietra S. , Bonrath W. 
Published: October 2012

AbstractThe microwave‐assisted esterification of terpene alcohols such as geraniol in Broensted acidic ionic liquids (IL) is introduced as promising method.
ChemInform Abstract: Cyclohexa‐3,5‐diene‐1,2‐trans‐diols — Synthesis and Application in Target‐Oriented Syntheses
Authors: Hausmann Tobias , Pietruszka Joerg , Schumacher Sebastian 
Published: October 2012

AbstractReview: syntheses via ring‐opening of epoxides and via conversion of cis‐diols, direct biotechnological access, applications in natural product syntheses; ca. 80 refs.
Matrix inversion on CPU–GPU platforms with applications in control theory
Authors: Benner Peter , Ezzatti Pablo , Quintana‐Ortí Enrique S. , Remón Alfredo 
Published: October 2012

SUMMARYIn this paper, we tackle the inversion of large‐scale dense matrices via conventional matrix factorizations (LU, Cholesky, andLDLT) and the Gauss–Jordan method on hybrid platforms consisting of a multicore CPU and a many‐core graphics processor (GPU). Specifically, we introduce the different matrix inversion algorithms by using a unified framework based on the notation from the FLAME project; we develop hybrid implementations for those matrix operations underlying the algorithms, alternative to those in existing libraries for single GPU systems; and we perform an extensive experimental study on a platform equipped with state‐of‐the‐art general‐purpose architectures from Intel (Santa Clara, CA, USA) and a ‘Fermi’ GPU from NVIDIA (Santa Clara, CA, USA) that exposes the efficiency of the different inversion approaches. Our study and experimental results show the simplicity and performance advantage of the Gauss–Jordan elimination‐based inversion methods and the difficulties associated with the symmetric indefinite case. Copyright © 2012 John Wiley & Sons, Ltd.
Programming knowledge discovery workflows in service‐oriented distributed systems
Authors: Cesario Eugenio , Lackovic Marco , Talia Domenico , Trunfio Paolo 
Published: October 2012

SUMMARYIn several scientific and business domains, very large data repositories are generated. To find interesting and useful information in those repositories, efficient data mining techniques and knowledge discovery processes must be used. The exploitation of data mining techniques in science helps scientists in hypothesis formation and gives them a support on their scientific practices, whereas in industrial processes, data mining can exploit existing data sources as a real value for companies that can take advantage from the knowledge that can be extracted from their large data sources. Data mining tasks are often composed by multiple stages that may be linked to each other to form various execution flows. Moreover, data mining tasks are often distributed because they involve data and tools located over geographically distributed environments. Therefore, it is fundamental to exploit effective paradigms, such as services and workflows, to model data mining tasks that are both multi‐staged and distributed. This paper discusses data mining services and workflows for analyzing scientific data in high‐performance distributed environments such as Grids and Clouds. We discuss how it is possible to define basic and complex services for supporting distributed data mining tasks in Grids. We also present a workflow formalism and a service‐oriented programming framework, named DIS3GNO, for designing and running distributed knowledge discovery processes in the Knowledge Grid system. DIS3GNO supports all the phases of a knowledge discovery process, including composition, execution, and results visualization. After introducing DIS3GNO, some relevant use cases implemented by it and a performance evaluation of the system are discussed.Copyright © 2012 John Wiley & Sons, Ltd.
Structural testing for message‐passing concurrent programs: an extended test model
Authors: Souza Paulo S.L. , Souza Simone R.S. , Zaluska Ed 
Published: October 2012

SUMMARYDeveloping high‐quality, error‐free message‐passing concurrent programs is not trivial. Although a number of different primitives with associated semantics are available to assist such development, they often increase the complexity of the testing process. In this paper, we extend our previous test model for message‐passing programs and present new structural testing criteria, taking into account additional features used in this paradigm, such as collective communication, non‐blocking sends, distinct semantics for non‐blocking receives, and persistent operations. Our new model also recognizes that sender primitives cannot always be matched with every receive primitive. This improvement allows us to remove statically a significant number of infeasible synchronization edges that would otherwise have to be analyzed later by the tester. In this paper, the test model is presented using the Message‐Passing Interface standard; however, our new model has been designed to be flexible, and it can be configured to support a range of different message‐passing environments or languages. We have carried out case studies showing the applicability of the new test model to represent message‐passing programs and also to reveal errors, mainly those errors related to inter‐process communication. In addition to increasing the number of features supported by the test model, we have also reduced the overall cost of testing significantly. Our case studies suggest that the number of synchronization edges can be reduced by up to 93%, mainly by eliminating infeasible edges between unmatchable communication primitives. The main contribution of the paper is to present a more flexible test model that provides improved coverage for message‐passing programs and at the same time reduces the cost of testing significantly. Copyright © 2012 John Wiley & Sons, Ltd.
Cloud resource provisioning and SLA enforcement via LoM2HiS framework
Authors: Emeakaroha Vincent C. , Brandic Ivona , Maurer Michael , Dustdar Schahram 
Published: October 2012

SUMMARYCloud computing represents a novel on‐demand computing technology where resources are provisioned in compliance to a set of predefined non‐functional properties specified and negotiated by means of service level agreements (SLAs). Currently, cloud providers strive to achieve efficient SLA enforcement strategies to avoid costly SLA violations during application provisioning and to timely react to failures and environmental changes. These strategies include advanced application deployment mechanisms and appropriate resource monitoring concepts. In terms of cloud resource monitoring, providers tend to adopt existing monitoring tools, such as those from grid environments. However, those tools are usually restricted to locality and homogeneity of monitored objects, are not scalable, and do not support mapping of low‐level resource metrics (e.g., system uptime and downtime) to high‐level application‐specific SLA parameters (e.g., system availability). In this paper, we present a novel low‐level metrics to high‐level SLA (LoM2HiS) framework for managing the monitoring of low‐level resource metrics and mapping them to high‐level SLAs and an application deployment mechanism for scheduling and provisioning applications in clouds. The LoM2HiS framework provides the application deployment mechanism with monitored information and SLA violation prevention techniques, thereby ensuring the performance of the applications and thus increasing the revenue of the cloud provider by avoiding SLA violation penalty cost. This framework is the building block of the Foundations of Self‐governing ICT Infrastructures project, which intends to facilitate autonomic SLA management and enforcement. Thus, the LoM2HiS framework detects future SLA violation threats and can notify the knowledge component to act so as to avert the threats. We discuss in detail the conceptual design of the LoM2HiS framework and the application deployment mechanism including their implementations. Finally, we present our evaluation results based on a use‐case scenario demonstrating the usage of the LoM2HiS framework in a real cloud environment. Copyright © 2012 John Wiley & Sons, Ltd.
Photophysical Properties of Au‐CdTe Hybrid Nanostructures of Varying Sizes and Shapes
Authors: Haldar Krishna Kanta , Sen Tapasi , Mandal Sadananda , Patra Amitava 
Published: October 2012

AbstractWe design well‐defined metal‐semiconductor nanostructures using thiol‐functionalized CdTe quantum dots (QDs)/quantum rods (QRs) with bovine serum albumin (BSA) protein‐conjugated Au nanoparticles (NPs)/nanorods (NRs) in aqueous solution. The main focus of this article is to address the impacts of size and shape on the photophysical properties, including radiative and nonradiative decay processes and energy transfers, of Au‐CdTe hybrid nanostructures. The red shifting of the plasmonic band and the strong photoluminescence (PL) quenching reveal a strong interaction between plasmons and excitons in these Au‐CdTe hybrid nanostructures. The PL quenching of CdTe QDs varies from 40 to 86 % by changing the size and shape of the Au NPs. The radiative as well as the nonradiative decay rates of the CdTe QDs/QRs are found to be affected in the presence of both Au NPs and NRs. A significant change in the nonradiative decay rate from 4.72×106 to 3.92×1010 s−1 is obtained for Au NR‐conjugated CdTe QDs. It is seen that the sizes and shapes of the Au NPs have a pronounced effect on the distance‐dependent energy transfer. Such metal‐semiconductor hybrid nanostructures should have great potentials for nonlinear optical properties, photovoltaic devices, and chemical sensors.
Assessing the Accuracy of SAPT(DFT) Interaction Energies by Comparison with Experimentally Derived Noble Gas Potentials and Molecular Crystal Lattice Energies
Authors: Bordner Andrew J. 
Published: October 2012

AbstractThe density functional version of symmetry‐adapted perturbation theory, SAPT(DFT), is a computationally efficient method for calculating intermolecular interaction energies. We evaluate its accuracy by comparison with experimentally determined noble gas interaction potentials and sublimation enthalpies, most of which have not been previously calculated using this method. In order to compare the results with wavefunction methods, we also calculate these quantities using MP2 and, for noble gas dimers, using CCSD(T). For the crystal lattice energy calculations, we include corrections to the dispersion, electrostatic, and induction energies that account for the finite interaction distance cutoff and higher‐order induction contributions. Overall, the energy values extrapolated to the complete basis set limit show that SAPT(DFT) achieves significantly better agreement with experiment than MP2.
Network‐coded multiple‐source cooperation aided relaying for free‐space optical transmission
Authors: Zhou Xiaolin , Zhang Dingchen , Yang Yandong , Obaidat Mohammad S. 
Published: October 2012

SUMMARYA network‐coded cooperative relaying aided free‐space optical (FSO) transmission scheme is designed. The resultant multiple‐source cooperation diversity is exploited by the relay to mitigate the strong turbulence‐induced fading experienced in FSO channels. At the destination, an iterative multiple source detection algorithm is proposed in conjunction with a chip‐level soft network decoding method. Our performance evaluation results using simulation analysis demonstrate that the proposed FSO multiple source detection is capable of approaching the single‐user‐bound for transmission over Gamma–Gamma turbulence channels. Also, the network‐coded cooperative FSO scheme can achieve a significant BER improvement in comparison with conventional noncooperation schemes. Copyright © 2012 John Wiley & Sons, Ltd.
Pond hydrology and dissolved carbon dynamics at Polar Bear Pass wetland, Bathurst Island, Nunavut, Canada
Authors: Abnizova Anna , Young Kathy L. , Lafrenière Melissa J. 
Published: October 2012

ABSTRACTA large number of wetlands, lakes and ponds exist in northern Canada, Alaska and Siberia, and the hydrologic and ecological processes in these water bodies are now responding to a changing climate. A large wetland, Polar Bear Pass (PBP), situated in the middle of Bathurst Island is considered to be one of the most important ecological sites in the region. Numerous ponds exist at PBP and are connected to their surrounding watersheds by streams and groundwater inflow, receiving varying amounts of water and nutrients. In 2008 and 2009, the representative hydrology of typical ponds at PBP along with their quantity of dissolved organic and inorganic carbon (DOC and DIC, respectively) was evaluated. Pond DOC and DIC loads and composition differ depending on the presence or absence of one or more hydrologic linkages that a pond has with its catchment. Elevated DOC loads were mostly of terrestrial origin and occurred in ponds receiving meltwater from snowbeds and discharge from hillslope creeks. The seasonal shift in connectivity of a pond to its catchment was critical in controlling DOC loads and concentrations. The frequency and duration of summer precipitation had a strong control on pond hydrologic connectivity and elevated the contribution of terrestrial DOC from wetland to ponds, especially ones that were hydrologically connected. The estimated DOC yields from wet meadow catchments highlight their importance as a source of carbon to pond ecosystems downstream. These wetland areas and ponds are potentially significant pools of carbon and are sensitive to future climate changes in permafrost‐dominated environments. Copyright © 2012 John Wiley & Sons, Ltd.
Boosting the Emission Quantum Yield of Urea Cross‐Linked Tripodal Poly(oxypropylene)/Siloxane Hybrids Through the Variation of Catalyst Concentration
Authors: Freitas Vânia T. , Lima Patrícia P. , de Zea Bermudez Verónica , Ferreira Rute A. S. , Carlos Luís D. 
Published: October 2012

AbstractTransparent monoliths of urea cross‐linked tripodal siloxane‐based hybrids, named tri‐ureasils, were prepared by the sol–gel process, using a wide concentration range of hydrochloric acid catalyst (1.0 × 10–3 ≤ [HCl] ≤ 2.0 M). The gelation time of the monoliths was controlled by varying the amount of water (2.2 and 22.2 mmol) and HCl (between 4.0 × 10–5 and 8.0 × 10–2 mmol) incorporated. Their local structure was characterized by X‐ray diffraction, 29Si and 13C nuclear magnetic resonance, mid‐infrared and ultraviolet/visible absorption spectroscopy, and photoluminescence in steady‐state and time resolved modes. The effect of [HCl] in the enhancement of the emission quantum yield was quantified. Although all the hybrids display emission at room temperature in the blue spectral region, it was observed that maximum and constant quantum yield values of 0.13 ± 0.01 are achieved for 0.01 ≤ [HCl] ≤ 0.1 M.
Selective Colorimetric and “Turn‐on” Fluorimetric Detection of Cyanide Using a Chemodosimeter Comprising Salicylaldehyde and Triphenylamine Groups
Authors: Pati Palas Baran , Zade Sanjio S. 
Published: October 2012

AbstractChemodosimeters S1 and S2 having salicylaldehyde and triphenylamine functionalities were synthesized, and the changes in their absorption and emission properties in the presence of anions were evaluated. S1 and S2 act as selective colorimetric and fluorimetric molecular probes for sensing and signalling cyanide. The signal transduction mechanism was investigated by UV/Vis absorption, emission, and NMR spectroscopy, and was supported by DFT calculations. The interaction between the receptors and cyanide ions causes large changes in both colour and emission intensity. A significant enhancement in fluorescence intensity was caused by the better nucleophilicity of the cyanide and by the carbonyl activation by the phenol proton of the salicylaldehyde group in the dosimeter through an intramolecular hydrogen bond. Intramolecular charge transfer from the negatively charged quinonoidal fragment to the triarylamine group was responsible for the colorimetric response. The detection limits were found to be 1.55 and 0.72 μM for S1 and S2, respectively, with fluorimetric enhancement factors of 350 and 25.
Comparison of DSM‐IV Versus Proposed DSM‐5 Diagnostic Criteria for Eating Disorders in a Japanese Sample
Authors: Nakai Yoshikatsu , Fukushima Mitsuo , Taniguchi Ataru , Nin Kazuko , Teramukai Satoshi 
Published: October 2012

AbstractObjectiveThe purpose of this study was to compare the Diagnostic and Statistical Manual of Mental Disorders, fourth edition (DSM‐IV) and the proposed Diagnostic and Statistical Manual of Mental Disorders, fifth edition (DSM‐5) diagnostic criteria in terms of the number of cases of eating disorder not otherwise specified (EDNOS) and to see which diagnostic system can effectively capture variance in psychiatric symptoms in a Japanese sample.MethodOne thousand and twenty‐nine women with an eating disorder (ED) participated in this study. Assessment methods included structured clinical interviews and administration of the Eating Attitudes Test and the Eating Disorder Inventory.ResultsRelaxing the diagnostic criteria for anorexia nervosa and bulimia nervosa and recognizing binge ED decreased the proportion of EDNOS (from 45.1% to 26.1%). The DSM‐5 categorization of patients was better able to capture variance in psychopathology scales.ConclusionsThe proposed revisions to EDs in the DSM‐5 partially reduced reliance on EDNOS. The DSM‐5 may differentiate ED groups more effectively than the DSM‐IV. Copyright © 2012 John Wiley & Sons, Ltd and Eating Disorders Association.