bluuebunny/crossref_metadata_2025_split huggingface dataset:
Iron‐Catalyzed CH Bond Activation for the ortho‐Arylation of Aryl Pyridines and Imines with Grignard Reagents
Authors: Yoshikai Naohiko , Asako Sobi , Yamakawa Takeshi , Ilies Laurean , Nakamura Eiichi 
Published: September 2011

AbstractDirect arylation of the ortho‐CH bond of an aryl pyridine or an aryl imine with an aryl Grignard reagent has been achieved by using an iron‐diamine catalyst and a dichloroalkane as an oxidant in a short reaction time (e.g., 5 min) under mild conditions (0 °C). The use of an aromatic co‐solvent, such as chlorobenzene and benzene, and slow addition of the Grignard reagent are essential for the high efficiency of the reaction. The present arylation reaction has distinct merits over the previously developed reaction that used an arylzinc reagent, such as its reaction rate and atom economy. Selective CH bond activation occurs in the presence of a leaving group, such as a tosyloxy, chloro, and bromo group. Studies on a stoichiometric reaction and kinetic isotope effects shed light on the reaction intermediate and the CH bond‐activation step.
Cell line specific control of polyethylenimine‐mediated transient transfection optimized with “Design of experiments” methodology
Authors: Thompson Ben C. , Segarra Camille R. J. , Mozley Olivia L. , Daramola Olalekan , Field Ray , Levison Peter R. , James David C. 
Published: September 2011

AbstractWe describe a design of experiments (DoE) response surface modeling strategy to optimize the concentration of basal variables underpinning polyethylenimine (PEI) mediated transfection of different CHO‐K1 derived parental cell populations in a chemically defined medium, specifically the relative concentration of linear 25 kD PEI, host CHO cells and plasmid DNA. Using recombinant secreted alkaline phosphatase (SEAP) reporter activity as the modeled response, a discrete simple maximum was predicted for each CHO host cell population. Differences between the modeled optima derived from host cell specific differences in PEI cytotoxicity, such that the PEI:cell interaction effectively limited PEI‐DNA polyplex load at a relatively constant PEI:DNA ratio. However, across the three CHO host cell populations, SEAP reporter production was not proportional to plasmid DNA input at the host cell specific predicted basal variable optima. A 10‐fold variation in SEAP reporter output per mass of plasmid DNA delivered was observed. To determine the cellular basis of this difference in transient productivity, host CHO cells were transfected with fluorescently labeled polyplexes followed by flow cytometric analysis. Each CHO host cell population exhibited a distinct functional phenotype, varying in the extent of PEI‐DNA polyplex binding to the cell surface and degree of polyplex internalization. SEAP production was directly proportional to the level of polyplex internalization and heparan sulfate proteoglycan level. Taken together, these data show that choice of host CHO cell line is a critical parameter, which should rationally precede cell line specific transient production platform design using DoE methodology. © 2011 American Institute of Chemical Engineers Biotechnol. Prog., 2012
Modifying Cage Structures in Metal–Organic Polyhedral Frameworks for H2 Storage
Authors: Yan Yong , Blake Alexander J. , Lewis William , Barnett Sarah A. , Dailly Anne , Champness Neil R. , Schröder Martin 
Published: September 2011

AbstractThree isostructural metal–organic polyhedral cage based frameworks (denoted NOTT‐113, NOTT‐114 and NOTT‐115) with (3,24)‐connected topology have been synthesised by combining hexacarboxylate isophthalate linkers with {Cu2(RCOO)4} paddlewheels. All three frameworks have the same cuboctahedral cage structure constructed from 24 isophthalates from the ligands and 12 {Cu2(RCOO)4} paddlewheel moieties. The frameworks differ only in the functionality of the central core of the hexacarboxylate ligands with trimethylphenyl, phenylamine and triphenylamine moieties in NOTT‐113, NOTT‐114 and NOTT‐115, respectively. Exchange of pore solvent with acetone followed by heating affords the corresponding desolvated framework materials, which show high BET surface areas of 2970, 3424 and 3394 m2 g−1 for NOTT‐113, NOTT‐114 and NOTT‐115, respectively. Desolvated NOTT‐113 and NOTT‐114 show high total H2 adsorption capacities of 6.7 and 6.8 wt %, respectively, at 77 K and 60 bar. Desolvated NOTT‐115 has a significantly higher total H2 uptake of 7.5 wt % under the same conditions. Analysis of the heats of adsorption (Qst) for H2 reveals that with a triphenylamine moiety in the cage wall, desolvated NOTT‐115 shows the highest value of Qst for these three materials, indicating that functionalisation of the cage walls with more aromatic rings can enhance the H2/framework interactions. In contrast, measurement of Qst reveals that the amine‐substituted trisalkynylbenzene core used in NOTT‐114 gives a notably lower H2/framework binding energy.
New Energetic Polynitro Cyclic Esters: Ammonium, Hydrazinium, and Hydroxylammonim Salts of Polynitramines
Authors: Singh Rajendra P. , Shreeve Jean'ne M. 
Published: September 2011

AbstractReaction of 2,2‐dinitro‐1,3‐propanediol (1) with oxalyl dichloride or malonyl dichloride in refluxing ether led to the formation of cyclic dinitro‐containing esters (2,3) in very good yields. Compounds2and3were also isolated in similar yields by the treatment of1with oxalic acid or malonic acid in trifluoroacetic anhydride at room temperature. Nitration of3with fuming nitric acid resulted in the corresponding trinitro cyclic ester4in 70 % isolated yield. Treatment of1with a large excess of methanolic ammonia gave impure 2,2‐dinitro‐1,3‐diaminopropane (5). Polynitraamines,7and11, were treated with aqueous ammonia, hydrazine monohydrate or hydroxylamine in methanol at room temperature to obtain their corresponding salts8–10and12–14, respectively, in excellent isolated yields. All new compounds were characterized by IR, NMR spectroscopy (1H,13C,15N), DSC, and elemental analysis. Their energetic properties, such as impact sensitivity, detonation velocity, and detonation pressure were also determined and compared with existing energetic compounds, such as PETN (pentaerythritol tetranitrate), RDX (1,3,5‐trinitro‐1,3,5‐triazacyclohexane), and TNT (trinitrotoluene).
Integrated Motivational Interviewing and Cognitive–Behavioural Therapy for Bipolar Disorder with Comorbid Substance Use
Authors: Jones Steven H. , Barrowclough Christine , Allott Rory , Day Christine , Earnshaw Paul , Wilson Ian 
Published: September 2011

Although comorbid substance use is a common problem in bipolar disorder, there has been little research into options for psychological therapy. Studies to date have concentrated on purely cognitive–behavioural approaches, which are not equipped to deal with the ambivalence to change exhibited by many towards therapy designed to change substance use. This paper provides the first report of an integrated psychological treatment approach for bipolar disorder with comorbid substance use. The intervention reported combines motivational interviewing and cognitive–behavioural therapy to address ambivalence and equips individuals with strategies to address substance use. Across five individual case studies, preliminary evidence is reported to support the acceptability and the feasibility of this approach. Despite most participants not highlighting their substance use as a primary therapy target, all but one exhibited reduced use of drugs or alcohol at the end of therapy, sustained at 6 months' follow‐up. There was some evidence for improvements in mood symptoms and impulsiveness, but this was less clear‐cut. The impact of social and relationship issues on therapy process and outcome is discussed. The implications of the current findings for future intervention research in this area are considered. Copyright © 2011 John Wiley & Sons, Ltd.Key Practitioner Message

Integrated motivational interviewing and cognitive‐behavioural therapy for comorbid substance use in bipolar disorder is feasible and acceptable.
Change in substance use occurred often inspite of participants not highlighting this initially as a primary therapy target.
Reduced substance use was typically still present at six month follow‐up.
Visualizing the dynamic of adoptively transferred T cells during the rejection of large established tumors
Authors: Charo Jehad , Perez Cynthia , Buschow Christian , Jukica Ana , Czeh Melinda , Blankenstein Thomas 
Published: September 2011

AbstractAdoptive T‐cell therapy (ATCT) can result in tumor rejection, yet the behavior and fate of the introduced T cells remain unclear. We developed a novel bioluminescence mouse model, which enabled highly sensitive detection of T‐cell signals at the single‐cell level. Transferred T cells preferentially accumulated within antigen‐positive tumors, relative to the unaffected areas in each mouse, and remarkably, expanded within both lymphopenic and P14 mice. This expansion was controlled and efficient, as evaluated by bioluminescence imaging (BLI) of the T‐cell signals and by tumor rejection respectively. Analysis of the population dynamics of transferred T cells in ATCT of large tumors revealed that proliferation did not always follow a simple linear pattern of expansion, but showed an oscillating pattern of expansion and contraction that was often followed by a rebound, until full tumor rejection was achieved. Furthermore, visualizing the recall response showed that the transferred T cells responded expeditiously, indicating the ability of these cells to survive, establish memory and compete with endogenous T cells for as long as 1 year after rejecting the tumor.
Peptide transporter TAP mediates between competing antigen sources generating distinct surface MHC class I peptide repertoires
Authors: Oliveira Cláudia C. , Querido Bianca , Sluijter Marjolein , Derbinski Jens , van der Burg Sjoerd H. , van Hall Thorbald 
Published: September 2011

AbstractWe recently described a category of TAP‐independent peptide‐epitopes that are selectively presented by cells with processing defects in the classical MHC class I (MHC‐I) pathway. Here, we studied the ER‐resident ceramide synthase Trh4 as a prototypic example of these neo‐antigens and found that moderate inhibition of TAP permits cell surface presentation of the Trh4 peptide. The absence of this peptide from WT cells was not related to the binding or stability of the Trh4/Db complexes, or to the availability of MHC‐I heavy chains, but rather to the limited expression of the antigen. Strongly elevated antigen levels were needed to reach comparable peptide display on WT as on TAP‐deficient cells. Our data suggest that the normal influx of TAP‐transported peptides in the ER during routine processing creates an efficient barrier for peptides from alternative processing routes. Impairment of TAP function, as commonly found in cancers and virus‐infected cells, lowers this resistance allowing for MHC‐I presentation of other peptide sources.
Rapeseed breeding for oil content, quality, and sustainability
Authors: Abbadi Amine , Leckband Gunhild 
Published: September 2011

AbstractThe successful development of 00‐oilseed rape—also named canola (erucic acid free in seed oil and low glucosinolate content in the residual seed)—has opened almost unlimited avenues into the food and feed markets. Oilseed rape is today the world's third leading oil crop and contributes both to the economies and health of people around the world. During the last decades, the demand for vegetable oils as food, non‐food, and biofuel has grown significantly. This demand could be satisfied due to improved agronomic developments, better processing methods, and improvements in the varieties available. The yield however varies in different countries, reflecting different input levels and production efficiency. This highlights the room for crop improvement, and the yield will continue to be the primary focus of many rapeseed improvement programs. Besides yield and yield stability increasing seed oil content and further improvement of oil and meal qualities have become one of the most important breeding criteria. Modern varieties are based on a relatively small subset of the available genetic diversities. Rapeseed is thus likely to respond strongly to programs aimed at selectively enhancing genetic variation for key economic input and output traits. This review outlines the progress and future challenges for rapeseed breeding.
Synthesis of 5‐Alkynyl Isoxazolidinyl Nucleosides
Authors: Romeo Roberto , Giofrè Salvatore Vincenzo , Iaria Daniela , Sciortino Maria Teresa , Ronsisvalle Simone , Chiacchio Maria Assunta , Scala Angela 
Published: September 2011

AbstractStarting with 5‐iodo N,O‐nucleosides, prepared by 1,3‐dipolar cycloaddition of nitrones with vinyliodouracil, or vinyl acetate followed by coupling with silylated iodouracil, a series of 5‐alkynyl N,O‐nucleosides were synthesized via a palladium‐catalyzed (Sonogashira) coupling reaction. The cytotoxic activity of modified nucleosides against HEp‐2 cell lines was determined in vitro. The 5‐ethynyl N,O‐nucleoside, the only compound in the series containing a terminal acetylene unit, was found to be the most active compound.
Carbon‐to‐Carbon Anion Relay Chemistry: Facile Generation of Substituted Allyllithium Species (Eur. J. Org. Chem. 27/2011)
Authors: Zheng Pinguan , Cai Zhengxin , Garimallaprabhakaran Aswinkumar , Rooshenas Parham , Schreiner Peter R. , Harmata Michael 
Published: September 2011

AbstractThe cover picture shows Columbia, Missouri's Activity & Recreation Center, whose acronym, ARC, fits perfectly with Anion Relay Chemistry, details of which are discussed in the article by P. R. Schreiner, M. Harmata et al. on p. 5255 ff. The cover was designed and assembled by Professor Harmata, and certain graphics were improved by Ms. Tammy McNiel.
Dopamine Sensor Based on a Composite of Silver Nanoparticles Implemented in the Electroactive Matrix of Calixarenes
Authors: Evtugyn Gennady A. , Shamagsumova Rezeda V. , Sitdikov Ruzal R. , Stoikov Ivan I. , Antipin Igor S. , Ageeva Marina V. , Hianik Tibor 
Published: September 2011

AbstractA sensitive electrochemical sensor based on a composite containing silver nanoparticles and a redox active thiacalixarene with catechol fragments in the substituents at the lower rim has been developed and used for dopamine detection. The electrochemical investigation of thiacalixarene in homogeneous solution and on the electrode interface showed the reversible character of the redox conversion of catechol fragments and its involvement in the chemical reduction of silver which resulted in formation of uniform nanoparticles of 4–6 nm in diameter. The use of such a material for electrode modification made it possible to record a high amplitude cathodic signal at −700 mV that was proportional to the dopamine concentration within 1 nM–1 µM. (limit of detection 0.5 nM).
Metal Enhanced Electrochemical Cyclooxygenase‐2 (COX‐2) Sensor for Biological Applications
Authors: Noah Naumih M. , Marcells Omole , Almalleti Anas , Lim Jae , Sadik Omowunmi A. 
Published: September 2011

AbstractPain measurement is commonly required in biomedical and other emergency situations, yet there has been no pain biosensor reported in literature. Conventional approaches for pain measurement relies on Wong‐Baker face diagrams, which are grossly inadequate for situations involving children or unconscious people. We report a label‐free immunosensor for monitoring the pain biomarker cylooxygenase‐2 (COX‐2) in blood. The sensor is based on the concept of metal‐enhanced detection (MED). MED relies on the idea that the immobilization of underpotential deposition (upd) metallic films deposited either as a monolayer or electrostatically held onto a solid gold substrate could significantly amplify bimolecular recognition such as involving antigen‐antibody (Ab‐Ag) interactions. The surface bound Ab‐Ag complex insulates the electrode; causing a decrease in concentration‐dependent redox signals. A linear detection range of (3.64–3640.00)×10−4 ng/mL was recorded with a detection limit of 0.25×10−4 ng/mL, which was 4 orders of magnitude lower than that reported for ELISA for the same biomarker. The immunosensor exhibited selectivity of less than 6 % for potential interferents.
Flexibility evaluation and flexible comprehensive optimization in power systems
Authors: Wei‐qing Sun , Cheng‐min Wang , Yan Zhang 
Published: September 2011

SUMMARYSmart grid puts forward new requirements in the planning, operation and management of power systems. Flexibility is one of the most important characters among the requirements. Traditional optimization analysis methods with single objective function and rigid constraints can hardly meet such requirements. This paper introduces the original concept of flexibility in industry process system analysis into power system analysis, analyzes their main differences and makes subdivision of power system flexibility into four kinds, namely property, constraint, load and structure flexibility. Rigid constraints in traditional analysis methods are transformed into flexible forms, and a power system flexibility evaluation method is proposed. Flexibility indices are defined and calculated to give intuitive measure of power system flexibility to grid dispatchers. Then, a flexible comprehensive optimization model in power system analysis is established. The result obtained is not an optimization for a single objective, but a comprehensive optimization considering system economy, safety and other objectives. Case study on IEEE 30‐bus test system shows the validity of the methodology proposed. Copyright © 2011 John Wiley & Sons, Ltd.
Overvoltages and insulation coordination of 1000‐kV AC transmission systems in China
Authors: Dingxie Gu , Peihong Zhou , Min Dai , Muhong Xiu , Huiwen He 
Published: September 2011

SUMMARYOvervoltages and insulation coordination requirements of 1000‐kV AC transmission systems in China are introduced. On the basis of the single‐circuit transmission project, which has been put into operation since 2009, and the planned double‐circuit transmission projects, the control of temporary overvoltage and switching overvoltages and the determination of the rated voltage of metal oxide arrester are presented. The lightning protection measures for transmission lines and substations are given. Determination of insulation level of substation apparatus and clearance of external insulation for transmission lines and substations are provided. Copyright © 2011 John Wiley & Sons, Ltd.
A massively parallel GPU‐accelerated model for analysis of fully nonlinear free surface waves
Authors: Engsig‐Karup A. P. , Madsen Morten G. , Glimberg Stefan L. 
Published: September 2011

SUMMARYWe implement and evaluate a massively parallel and scalable algorithm based on a multigrid preconditioned Defect Correction method for the simulation of fully nonlinear free surface flows. The simulations are based on a potential model that describes wave propagation over uneven bottoms in three space dimensions and is useful for fast analysis and prediction purposes in coastal and offshore engineering. A dedicated numerical model based on the proposed algorithm is executed in parallel by utilizing affordable modern special purpose graphics processing unit (GPU). The model is based on a low‐storage flexible‐order accurate finite difference method that is known to be efficient and scalable on a CPU core (single thread). To achieve parallel performance of the relatively complex numerical model, we investigate a new trend in high‐performance computing where many‐core GPUs are utilized as high‐throughput co‐processors to the CPU. We describe and demonstrate how this approach makes it possible to do fast desktop computations for large nonlinear wave problems in numerical wave tanks (NWTs) with close to 50/100 million total grid points in double/single precision with 4 GB global device memory available. A new code base has been developed in C++ and compute unified device architecture C and is found to improve the runtime more than an order in magnitude in double precision arithmetic for the same accuracy over an existing CPU (single thread) Fortran 90 code when executed on a single modern GPU. These significant improvements are achieved by carefully implementing the algorithm to minimize data‐transfer and take advantage of the massive multi‐threading capability of the GPU device. Copyright © 2011 John Wiley & Sons, Ltd.
The Quanto Adjustment and the Smile
Authors: Marabel Romo Jacinto 
Published: September 2011

European quanto derivatives are usually priced using the well‐known quanto adjustment corresponding to the forward of the quantoed asset under the assumptions of the Black–Scholes model. In this article, I present the quanto adjustment corresponding to the local volatility model that allows pricing quanto derivatives consistently with the observed market equity skew and exchange rate smile. I then examine the model risk arising in the standard quanto adjustment by fitting the local volatility model to market data and then comparing the prices of European quanto euro derivatives on the Nikkei 225 index with those generated by the standard quanto adjustment. The results show that the standard quanto adjustment can be subject to significant pricing errors when compared with the local volatility model.I also compare the pricing performance of the local volatility model with a multivariate stochastic volatility model. The results show that when the correlation between the instantaneous variances associated with the underlying asset and the exchange rate is close to one, as it is the case when we consider historical data, there is little evidence of model risk for the local volatility model in the pricing of European quanto euro derivatives on the Nikkei 225 index. © 2011 Wiley Periodicals, Inc. Jrl Fut Mark 32:877–908, 2012
Functional adaptive changes within the hippocampal memory system of patients with multiple sclerosis
Authors: Hulst Hanneke E. , Schoonheim Menno M. , Roosendaal Stefan D. , Popescu Veronica , Schweren Lizanne J.S. , van der Werf Ysbrand D. , Visser Leo H. , Polman Chris H. , Barkhof Frederik , Geurts Jeroen J.G. 
Published: September 2011

AbstractMemory deficits are highly prevalent in multiple sclerosis (MS). As the hippocampus is crucial to memory processing, a functional magnetic resonance imaging (fMRI) task was used to investigate changes in hippocampal function in MS patients with and without cognitive decline. Fifty patients with MS, (34 cognitively preserved (CP) and 16 cognitively impaired (CI)) and 30 healthy controls completed an episodic memory fMRI task (encoding and retrieval) that was used to specifically activate the hippocampus. During encoding of correctly remembered items, increased brain activation was seen in the parahippocampal areas bilaterally and in the left anterior cingulate gyrus in the CP patients compared to the controls (unclustered, Z ≥ 3.1, P ≤ 0.001). No brain areas showed less activation. In CI patients the right (para)hippocampal areas and the prefrontal cortex showed less brain activation compared to controls (cluster‐corrected, P < 0.05). The posterior cingulate gyrus and the left precuneus showed increased activation in CI patients when compared to controls (unclustered Z ≥ 3.1, P ≤ 0.001). No significant differences were found on structural MRI measures between the CP and CI patients. These results suggest the presence of functional adaptation in the memory network before cognitive decline becomes evident in MS, as displayed by the increased brain activation in the hippocampal‐cingulate memory system in CP patients. Interestingly, CI patients showed less activation in the hippocampal network during correct encoding. These findings are important for future cognitive therapeutic studies, since cognitive intervention might be most effective before cognitive impairment is present and when adaptive changes of the brain are most prominent. Hum Brain Mapp 33:2268–2280, 2012. © 2011 Wiley Periodicals, Inc.