bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reduction of CO2 by Pyridine Monoimine Molybdenum Carbonyl Complexes: Cooperative Metal–Ligand Binding of CO2
Authors: Sieh Daniel , Lacy David C. , Peters Jonas C. , Kubiak Clifford P. 
Published: April 2015

Abstract[(ArPMI)Mo(CO)4] complexes (PMI=pyridine monoimine; Ar=Ph, 2,6‐di‐iso‐propylphenyl) were synthesized and their electrochemical properties were probed with cyclic voltammetry and infrared spectroelectrochemistry (IR‐SEC). The complexes undergo a reduction at more positive potentials than the related [(bipyridine)Mo(CO)4] complex, which is ligand based according to IR‐SEC and DFT data. To probe the reaction product in more detail, stoichiometric chemical reduction and subsequent treatment with CO2 resulted in the formation of a new product that is assigned as a ligand‐bound carboxylate, [(PMI)Mo(CO)3(CO2)]2−, by NMR spectroscopic methods. The CO2 adduct [(PMI)Mo(CO)3(CO2)]2− could not be isolated and fully characterized. However, the CC coupling between the CO2 molecule and the PDI ligand was confirmed by X‐ray crystallographic characterization of one of the decomposition products of [(PMI)Mo(CO)3(CO2)]2−.
Energetic Salts Based on Furazan‐Functionalized Tetrazoles: Routes to Boost Energy
Authors: Wei Hao , Zhang Jiaheng , He Chunlin , Shreeve Jean'ne M. 
Published: April 2015

AbstractBased on the backbone of the furazan‐tetrazole structure, routes were developed to improve the properties of energetic materials. Two types of high‐density energetic salts were designed, prepared, and fully characterized. Single‐crystal X‐ray analyses support the structural characteristics for two amino salts. A majority of the salts exhibited good detonation properties, high thermal stabilities, and relatively low impact and friction sensitivities. Hydroxylammonium and hydrazinium salts, 1–3 and 1–4, which have relatively high densities (1.84 and 1.74 g cm−3,, respectively), acceptable impact and friction sensitivities (14 J, 160 N and 28 J, 360 N), and good detonation pressures (38.3 and 32.2 GPa) and velocities (9323 and 9094 m s−1), have performance properties superior to 1,3,5‐trinitro‐1,3,5‐triazinane (RDX) and triaminotrinitrobenzene (TATB).
Chimerical Pyrene‐Based [7]Helicenes as Twisted Polycondensed Aromatics
Authors: Buchta Michal , Rybáček Jiří , Jančařík Andrej , Kudale Amit A. , Buděšínský Miloš , Chocholoušová Jana Vacek , Vacek Jaroslav , Bednárová Lucie , Císařová Ivana , Bodwell Graham J. , Starý Ivo , Stará Irena G. 
Published: April 2015

AbstractChimerical pyrene‐based dibenzo[7]helicene rac‐1 and 2H‐pyran[7]helicene (M,R,R)‐(−)‐2, in which two pyrene subunits are fused to the [7]helicene/[7]heterohelicene scaffold, were synthesised by means of Ni0‐ or CoI‐mediated [2+2+2] cycloisomerisation of dipyrenyl‐acetylene‐derived triynes. Pyrene‐based dibenzo[7]helicene 1 was obtained in enantioenriched form by enantioselective cycloisomerisation under Ni0/QUINAP catalysis (57 % ee) or in enantiopure form by racemate resolution by liquid chromatography on a chiral column. 1,3‐Allylic‐type strain‐controlled diastereoselective cycloisomerisation was employed in the synthesis of enantiopure (M,R,R)‐(−)‐2. Physicochemical properties of 1 and 2 encompassing the helicity assignment, stability to racemisation, X‐ray crystal structure, UV/Vis, experimental/calculated electronic circular dichroism and fluorescence spectra were studied. Accordingly, comparison of the X‐ray crystal structure of (M,R,R)‐(−)‐2 with calculated structures (DFT: B3LYP/cc‐pVDZ, B97D/cc‐pVDZ) indicated that its helical backbone is slightly over‐flattened owing to intramolecular dispersion forces between tert‐butylated pyrene subunits. Both 1 and 2 are fluorescent (with quantum yields in dichloromethane of ΦF=0.10 and 0.17, respectively) and are suggested to form intramolecular excimer states upon excitation, which are remarkably stabilised and exhibit large Stokes shifts (296 and 203 nm, respectively).
Health care utilization and end‐of‐life care for older patients with acute myeloid leukemia
Authors: El‐Jawahri Areej R. , Abel Gregory A. , Steensma David P. , LeBlanc Thomas W. , Fathi Amir T. , Graubert Timothy A. , DeAngelo Daniel J. , Wadleigh Martha , Ballen Karen K. , Foster Julia E. , Attar Eyal C. , Amrein Philip C. , Brunner Andrew M. , Stone Richard M. , Temel Jennifer S. 
Published: April 2015

BACKGROUNDHealth care utilization in older adults (age ≥60 years) with acute myeloid leukemia (AML) has not been well studied.METHODSWe conducted a retrospective analysis of 330 consecutive older patients who were diagnosed with AML between May 1, 2005 and December 23, 2011, at 2 hospitals in Boston to examine their health care utilization and end‐of‐life care. Using multivariable logistic and linear regression models adjusting for covariates, we also compared health care utilization between patients who received intensive induction chemotherapy (n = 197; cytarabine/ anthracycline combination) versus nonintensive chemotherapy (n = 133; single‐agent therapy).RESULTSThe median number of hospitalizations for the entire cohort was 4.2 (range, 1‐18 hospitalizations). Patients who died spent a mean of 28.3% of their life after diagnosis in the hospital and 13.8% of their life attending outpatient clinic appointments. Although the majority of patients (87.9%) died during the 2‐year follow‐up period, a minority received palliative care (16.2%) or hospice (23.1%) services. Within 30 days of death, 84.5% of patients were hospitalized, and 61% died in the hospital. Among the patients who died, those who received intensive induction therapy (vs nonintensive therapy) spent 30% more of their life after diagnosis in the hospital (P < .0001) and were less likely to receive hospice services (odds ratio, 0.45; P = .05).CONCLUSIONSThe current findings highlight the intensity of health care utilization among older patients with AML, regardless of treatment modality. Despite the poor prognosis, palliative care and hospice services are rarely used. Future work should study novel health care delivery models to optimize care throughout the course of illness and at the end of life. Cancer 2015;121:2840‐2848. © 2015 American Cancer Society
The SIPSim implicit parallelism model and the SkelGIS library
Authors: Coullon Hélène , Limet Sébastien 
Published: April 2015

SummaryScientific simulations give rise to complex codes where data size and computation time become very important issues, and sometimes a scientific barrier. Thus, parallelization of scientific simulations becomes a significant work. Many time and human efforts are deployed to produce efficient parallel programs. But still, many simulations could not be parallelized because of lack of time to learn parallel programming or lack of human resources. Therefore, aiding parallelization through abstracted parallelism or implicit parallelism has become a main topic in computer science. Many implicit parallelism solutions have been proposed such as algorithmic skeletons libraries, domain‐specific languages or specific libraries. In this paper is introduced a new type of solution to give a totally transparent access to parallel programming for non‐computer scientists of the domain of numerical simulations. This solution is an implicit parallelism model, called Structured Implicit Parallelism on scientific Simulations (SIPSim). After a description of the SIPSim model, this paper presents the implementation of the model, as a C++ templated library called SkelGIS, for two different cases of simulations: simulations on Cartesian meshes and simulations of two physical phenomena linked through a network. For each case, the implementation of the SIPSim components are described, and a simple simulation example is given. SkelGIS is then evaluated on two real cases, one for each case, first on the resolution of shallow water equations and second on an arterial blood flow simulation. To clearly state on SkelGIS performance and its ease of programming, different experiments on both cases are evaluated. Copyright © 2015 John Wiley & Sons, Ltd.
Visible Light‐Driven Atom Transfer Radical Addition to Olefins using Bi2O3 as Photocatalyst
Authors: Riente Paola , Pericàs Miquel A. 
Published: April 2015

AbstractBismuth oxide, an inexpensive and non‐toxic semiconductor, has been successfully used as a visible light photocatalyst for the atom transfer radical addition (ATRA) reaction of organobromides to diversely functionalized terminal olefins. The reaction takes place under very mild conditions, in the absence of any additive, and with low catalyst loading (1 mol %). The corresponding ATRA products are obtained with moderate to excellent yields (up to 95 %).
Ceramic Lithium Ion Conductor to Solve the Anode Coking Problem of Practical Solid Oxide Fuel Cells
Authors: Wang Wei , Wang Feng , Chen Yubo , Qu Jifa , Tadé Moses O. , Shao Zongping 
Published: April 2015

AbstractFor practical solid oxide fuel cells (SOFCs) operated on hydrocarbon fuels, the facile coke formation over Ni‐based anodes has become a key factor that limits their widespread application. Modification of the anodes with basic elements may effectively improve their coking resistance in the short term; however, the easy loss of basic elements by thermal evaporation at high temperatures is a new emerging problem. Herein, we propose a new design to develop coking‐resistant and stable SOFCs using Li+‐conducting Li0.33La0.56TiO3 (LLTO) as an anode component. In the Ni/LLTO composite, any loss of surface lithium can be efficiently compensated by lithium diffused from the LLTO bulk under operation. Therefore, the SOFC with the Ni/LLTO anode catalyst layer yields excellent power outputs and operational stability. Our results suggest that the simple adoption of a Li+ conductor as a modifier for Ni‐based anodes is a practical and easy way to solve the coking problem of SOFCs that operate on hydrocarbons.
Mild and Robust Redox‐Neutral Pd/C‐Catalyzed Lignol β‐O‐4′ Bond Cleavage Through a Low‐Energy‐Barrier Pathway
Authors: Galkin Maxim V. , Dahlstrand Christian , Samec Joseph S. M. 
Published: April 2015

AbstractA Pd/C catalyzed redox neutral CO bond cleavage of 2‐aryloxy‐1‐arylethanols has been developed. The reactions are carried out at 80 °C, in air, using a green solvent system to yield the aryl ketones in near quantitative yields. Addition of catalytic amounts of a hydrogen source to the reaction mixture activates the catalyst to proceed through a low energy barrier pathway. Initial studies support a transfer hydrogenolysis reaction mechanism that proceeds through an initial dehydrogenation followed by an enol adsorption to Pd/C and a reductive CO bond cleavage.
A comprehensive study of space vector pulse‐width modulation technique for three‐phase Z‐source inverters
Authors: Yu Kun , Xiong Binyu , Zhao Jiyun 
Published: April 2015

SummaryThe space vector pulse width modulation (SVPWM) technique has received much attention for three‐phase Z‐source inverters (ZSIs). The differences and connections between the SVPWM technique for ZSIs and for traditional voltage source inverters have been discussed as well. By selecting different null state and shoot‐through state, three switching patterns with different switching numbers have been studied, and the harmonic spectrums of these three patterns are demonstrated. In this paper, the solutions of maximum boost control and constant boost control methods using SVPWM techniques with less switching actions have been proposed and compared with the carrier‐based strategies. Selected experimental results have been provided to validate the theoretical analysis. This work will be beneficial for understanding the SVPWM concept and modulation techniques of the three‐phase ZSIs. Copyright © 2015 John Wiley & Sons, Ltd.
Changes in N‐terminal pro‐B‐type natriuretic peptide levels and outcomes in heart failure with preserved ejection fraction: an analysis of the I‐Preserve study
Authors: Jhund Pardeep S. , Anand Inder S. , Komajda Michel , Claggett Brian L. , McKelvie Robert S. , Zile Michael R. , Carson Peter E. , McMurray John J.V. 
Published: April 2015

AbstractAimsIn patients with heart failure (HF) and reduced ejection fraction, decreases or increases in NT‐proBNP levels are associated with better and worse outcomes, respectively. The association in HF and preserved ejection fraction (HF‐PEF) is unknown. We examined the association between change in level of NT‐proBNP and prognosis in patients with HF‐PEF.Methods and resultsWe examined the association between change in NT‐proBNP from baseline to 6 months and cardiovascular (CV) death or HF hospitalization in 2612 participants in the Irbesartan in Patients with Heart Failure and Preserved Systolic Function Study (I‐Preserve). Change in NT‐proBNP was modelled as a restricted cubic spline in a Cox model after adjusting for baseline NT‐proBNP and known prognostic variables. Median change in NT‐proBNP from baseline was −7 pg/mL (interquartile range −143 to +108). After adjustment, a 1000 pg/mL decrease in NT‐proBNP from baseline was associated with a reduction in the risk of CV death or HF hospitalization [hazard ratio (HR) 0.73, 95% confidence interval (CI) 0.53–1.02]; a 1000 pg/mL increase was associated with an increase in risk (HR 2.01, 95% CI 1.50–2.69). Beyond a 1000 pg/mL rise or fall, there was little additional change in risk. Addition of change in NT‐proBNP at 6 months to a model with only baseline NT‐proBNP improved the C‐statistic from 0.752 to 0.769 (P = 0.013).ConclusionIn HF‐PEF, a rise in NT‐proBNP was associated with an increase in risk of CV death or HF hospitalization and a fall was associated with a trend towards a decrease in risk. NT‐proBNP may be a useful marker to monitor prognosis in this condition.
Crossed McMurry Coupling Reactions for Porphycenic Macrocycles: Non‐Statistical Selectivity and Rationalisation
Authors: Cowie Thomas Y. , Kennedy Lorna , Żurek Justyna M. , Paterson Martin J. , Bebbington Magnus W. P. 
Published: April 2015

AbstractCrossed McMurry reactions of bifuran‐ or bithiophenedicarbaldehydes with bipyrroledicarbaldehydes have been studied for the first time. Only those porphycenic macrocycles derived from homocoupled McMurry products were formed. The results are explained by using both density functional theory and electron propagator computations to model the electron affinity of the dialdehyde starting materials. It was predicted that bifuran\bithiophene cross‐coupling would indeed occur, and this was demonstrated by the first synthesis of a novel dioxa,dithio hetero‐porphycenoid annulene. This approach will allow the prior identification of viable substrates for related crossed McMurry reactions.
Synthesis of γ‐Difluoromethyl α,β‐Unsaturated γ‐Butyrolactones Using PhSCF2SiMe3 as a Difluoromethylating Agent
Authors: Issaree Arisara , Masusai Chonticha , Soorukram Darunee , Kuhakarn Chutima , Reutrakul Vichai , Pohmakotr Manat 
Published: April 2015

AbstractThe synthesis of γ‐difluoromethyl α,β‐unsaturated γ‐butyrolactones using PhSCF2SiMe3 (1) as a difluoromethylating agent is described. The method involves the fluoride‐catalyzed nucleophilic addition of 1 to a masked maleic anhydride 2 (cyclopentadiene–maleic anhydride adduct) to give key adduct 3. This adduct can be converted into γ‐difluoromethyl α,β‐unsaturated γ‐butyrolactones 6 through reductive cleavage of the phenylsulfanyl group, stereoselecive nucleophilic addition reaction with Grignard reagents, followed by flash‐vacuum pyrolysis.
Chlorin e6 131:152‐Anhydride: A Key Intermediate in Conjugation Reactions of Chlorin e6
Authors: Chen Hui , Jinadasa R. G. Waruna , Jiao Lijuan , Fronczek Frank R. , Nguyen Alex L. , Smith Kevin M. 
Published: April 2015

AbstractSince the patent for the photodynamic therapy agent Talaporfin (mono‐L‐aspartylchlorin e6) was issued in 1987, confusion has existed regarding which of the three carboxylic acid groups in the chlorophyll degradation product, chlorin e6 (1), is modified in standard amino acid type conjugations (using DCC or EDC and an organic base) with amino acids and other biomolecules. Here it is shown that the site of conjugation is the central 152‐carboxylic acid, such reactions proceeding in numerous examples via a 131:152‐anhydride for which a high resolution X‐ray structure is reported. Conjugation with eight oxygen and nitrogen nucleophiles, in every case, afforded the 152‐conjugate, reinforcing the earlier conclusion that Talaporfin is the 152‐aspartyl conjugate of chlorin e6 and suggesting that reports of 173‐conjugation of chlorin e6 using stoichiometric peptide coupling procedures should be subjected to further scrutiny.
Numerical modeling of chlorine concentration in water storage tanks
Authors: Codina Ramon , Principe Javier , Muñoz Christian , Baiges Joan 
Published: April 2015

SummaryIn this paper, we describe a numerical model to simulate the evolution in time of the hydrodynamics of water storage tanks, with particular emphasis on the time evolution of chlorine concentration. The mathematical model contains several ingredients particularly designed for this problem, namely, a boundary condition to model falling jets on free surfaces, an arbitrary Lagrangian–Eulerian formulation to account for the motion of the free surface because of demand and supply of water, and a coupling of the hydrodynamics with a convection–diffusion–reaction equation modeling the time evolution of chlorine. From the numerical point of view, the equations resulting from the mathematical model are approximated using a finite element formulation, with linear continuous interpolations on tetrahedra for all the unknowns. To make it possible, and also to be able to deal with convection‐dominated flows, a stabilized formulation is used. In order to capture the sharp gradients present in the chlorine concentration, particularly near the injection zone, a discontinuity capturing technique is employed. Copyright © 2015 John Wiley & Sons, Ltd.
Recent Progress of Innovative Perovskite Hybrid Solar Cells
Authors: Heo Jin Hyuck , Song Dae Ho , Patil Basavaraj Rudragouda , Im Sang Hyuk 
Published: April 2015

AbstractRecently, innovative perovskite hybrid solar cells have attracted great interest in solar cell research fields, such as dye‐sensitized solar cells, organic photovoltaics, thin‐film solar cells, and silicon solar cells, because their device efficiencies are gradually approaching those of crystalline Si solar cells, and they can be fabricated by cheap low‐temperature solution processes. Here, we review the recent progress of innovative perovskite hybrid solar cells. The introduction includes the general concerns about solar cells and why we need innovative solar cells. The second part explains the structure and the material properties of hybrid perovskite materials. We focus on why the hybrid perovskite materials can exhibit excellent solar cell properties, such as high open‐circuit voltage. The third part introduces recent progress in innovative perovskite hybrid solar cells, in terms of device architecture and deposition methods for dense perovskite thin films with full surface coverage. The device architecture is important in attaining high power conversion efficiency; the device operating mechanism is dependent on the device structure; and the pinhole‐free dense perovskite thin films with full surface coverage are crucial for achieving high efficiency. Finally, we summarize the recent progress in perovskite hybrid solar cells, and the issues to be solved, in the summary and outlook section.
Those Who Can Coach Can Teach
Authors: Ehrenworth Mary , Minor Cornelius , Federman Mark , Jennings James , Messer Katherine , McCloud Christopher 
Published: April 2015

AbstractBuilding on the work of John Hattie, Richard Kent, and Tom Newkirk, a think tank collaborative in New York City's high schools works to raise the level of students’ close reading, argumentation, and agency across the curriculum by teaching students to analyze athletic competitions, to compose sports arguments, and to transfer and apply these skills to academic subjects. The study also investigates the kind of feedback and the kind of vision statements that athletic coaches give and considers how to adapt these for academic classes. This study recommends several specific structures for closer collaboration between athletic coaches and academic teachers to increase students’ engagement with higher order analytic skills, to develop shared language for these skills, and to create more opportunities for explicit transfer and higher student achievement.
Fiber probe for nonlinear imaging applications
Authors: Lukić Aleksandar , Dochow Sebastian , Chernavskaia Olga , Latka Ines , Matthäus Christian , Schwuchow Anka , Schmitt Michael , Popp Jürgen 
Published: April 2015

Over the past years it had been demonstrated that multimodal imaging combining the nonlinear modalities coherent anti‐Stokes Raman scattering (CARS), two‐photon excited auto‐fluorescence (TPEF) and second harmonic generation (SHG) show a great potential for tissue diagnosis and tumor identification. To extend the applicability of this multimodal imaging approach for in‐vivo tissue screening of difficult to access body regions the development of suitable fiber optic probes is required. Here we report about a novel CARS imaging fiber probe consisting of 10,000 coherent light guiding elements preserving the spatial relationship between the entrance and the output of the fiber. Therefore the scanning procedure can be shifted from the distal to the proximal end of the fiber probe and no moving parts or driving current are required to realize in‐vivo CARS endoscopy.
Back scattered CARS image of rabbit aorta with plaques (white) using a laser scanning microscope and an imaging fiber.magnified imageBack scattered CARS image of rabbit aorta with plaques (white) using a laser scanning microscope and an imaging fiber.
Low Dose of IGF‐I Increases Cell Size of Skeletal Muscle Satellite Cells Via Akt/S6K Signaling Pathway
Authors: Gao Chun‐qi , Zhi Rui , Yang Zhou , Li Hai‐chang , Yan Hui‐chao , Wang Xiu‐qi 
Published: April 2015

ABSTRACTThe objective of this study was to investigate the effect of insulin growth factor‐I (IGF‐I) on the size of pig skeletal muscle satellite cells (SCs). Using microarray, real‐time RT‐PCR, radioimmunoassay analysis and western blot, we first showed that supplementation of low‐dose of IGF‐I in culture medium resulted in enlarged cell size of Lantang SCs, only Akt and S6K were up‐regulated at both the mRNA and protein levels among almost all of the mTOR pathway key genes, but had no effect on cell number. To elucidate the signaling mechanisms responsible for regulating cell size under low‐dose of IGF‐I treatment, we blocked Akt and S6K activity with the specific inhibitors MK2206 and PF4708671, respectively. Both inhibitors caused a decrease in cell size. In addition, MK2206 lowered the protein level of p‐Akt (Ser473), p‐S6K (Thr389), and p‐rpS6 (Ser235/236), whereas PF4708671 lowered the protein level of p‐S6K (Thr389) and p‐rpS6 (Ser235/236). However, low dose of IGF‐I didn't affect the protein level of p‐mTOR (Ser2448) and p‐mTOR (Ser2481). When both inhibitors were applied simultaneously, the effect was the same as that of the Akt inhibition alone. Taken together, we report for the first time that low‐dose of IGF‐I treatment increases cell size via Akt/S6K signaling pathway. J. Cell. Biochem. 116: 2637–2648, 2015. © 2015 Wiley Periodicals, Inc.