bluuebunny/crossref_metadata_2025_split huggingface dataset:
Homomeric Inclusion and Hydrogen‐Bonding Cooperatively Directed Crystalline Assembly of a Cyclotriguaiacylene Derivative with Different Aromatic Acids
Authors: Song Jingru , Shi Yanyan , Huang Zhitang , Zheng Qiyu 
Published: June 2015

AbstractFive organic complexes are prepared by cocrystallization of tri‐[(N‐methyl‐2‐imidazoly)methoxy]cyclotriguiacylene (TMIM‐CTG) with corresponding acids. While hydrogen bonds are the basic interactions in the five complexes, the homo‐included motifs with CH···π interactions also control the molecular arrangement except for complex 5. In complex 1, the two dimensional networks contain 1D zigzag chains formed by hydrogen bonding and 1D chains of homo‐included CTG motifs. Complex 2 has 2D 4·82 hydrogen bonding networks, and the chains of homomeric inclusion extend the 2D structure to a 3D framework. Complex 3 contains four‐membered rings through hydrogen bonds, and the chains of homo‐inclusion link the rings to a novel 2D network. In complex 4, hydrogen bonds construct a novel double‐layer 2D network, which is extended to a 3D framework by "hand‐shake" dimeric homomeric inclusion interactions. Interestingly, there is no homomeric inclusion phenomenon in complex 5 and hydrogen bonds solely connect two components to a chiral (6,3) 2D network.
A Formal Synthesis of Betamethasone
Authors: Wang Shasha , Shi Yong , Tian Weisheng 
Published: June 2015

AbstractA formal synthesis of betamethasone from 5α‐pregnane‐3β,16β,20S‐triol is described. Key transformations are a bromination‐acetylation of triol, an SN2 reaction of the resulting C16α‐bromide with dimethylcopperlithium to get the required C16β‐methyl group, and a double hydroxylation to prepare the dihydroxyacetone side chain.
N‐Cinnamoylation of Antimalarial Classics: Effects of Using Acyl Groups Other than Cinnamoyl toward Dual‐Stage Antimalarials
Authors: Gomes Ana , Machado Marta , Lobo Lis , Nogueira Fátima , Prudêncio Miguel , Teixeira Cátia , Gomes Paula 
Published: June 2015

AbstractIn a follow‐up study to our reports of N‐cinnamoylated chloroquine and quinacrine analogues as promising dual‐stage antimalarial leads with high in vitro potency against both blood‐stage Plasmodium falciparum and liver‐stage Plasmodium berghei, we decided to investigate the effect of replacing the cinnamoyl moiety with other acyl groups. Thus, a series of N‐acylated analogues were synthesized, and their activities against blood‐ and liver‐stage Plasmodium spp. were assessed along with their in vitro cytotoxicities. Although the new N‐acylated analogues were found to be somewhat less active and more cytotoxic than their N‐cinnamoylated counterparts, they equally displayed nanomolar activities in vitro against blood‐stage drug‐sensitive and drug‐resistant P. falciparum, and significant in vitro liver‐stage activity against P. berghei. Therefore, it is demonstrated that simple N‐acylated surrogates of classical antimalarial drugs are promising dual‐stage antimalarial leads.
Are lifestyle behavioral factors associated with health‐related quality of life in long‐term survivors of non‐Hodgkin lymphoma?
Authors: Spector Denise J. , Noonan Devon , Mayer Deborah K. , Benecha Habtamu , Zimmerman Sheryl , Smith Sophia K. 
Published: June 2015

BACKGROUNDThe objective of the current study was to determine whether survivors of non‐Hodgkin lymphoma are meeting select American Cancer Society (ACS) health‐related guidelines for cancer survivors, as well as to examine relationships between these lifestyle factors and health‐related quality of life (HRQoL) and posttraumatic stress (PTS).METHODSA cross‐sectional sample of 566 survivors of NHL was identified from the tumor registries of 2 large academic medical centers. Respondents were surveyed regarding physical activity, fruit and vegetable intake, body weight, tobacco use, HRQoL using the Medical Outcomes Study Short Form‐36, and PTS using the Posttraumatic Stress Disorder CheckList‐Civilian form. Lifestyle cluster scores were generated based on whether individuals met health guidelines and multiple linear regression analysis was used to evaluate relationships between lifestyle behaviors and HRQoL scores and PTS scores.RESULTSApproximately 11% of participants met all 4 ACS health recommendations. Meeting all 4 healthy recommendations was related to better physical and mental QoL (standardized regression coefficient [β], .57 [P<.0001] and β, .47 [P = .002]) and to lower PTS scores (β, ‐0.41; P = .01).CONCLUSIONSSurvivors of NHL who met more ACS health‐related guidelines appeared to have better HRQoL and less PTS. Unfortunately, many survivors are not meeting these guidelines, which could impact their overall well‐being and longevity. Cancer 2015;121:3343–3351. © 2015 American Cancer Society.
Photochemical Bleaching of an Elaborate Artificial Light‐Harvesting Antenna
Authors: Alamiry Mohammed A. H. , Harriman Anthony , Haefele Alexandre , Ziessel Raymond 
Published: June 2015

AbstractThe front cover artwork is provided by the groups of Tony Harriman (Newcastle University) and Raymond Ziessel (ECPM‐Strasbourg). The image shows the processes following illumination of an artificial light harvester that slowly fades under continuous exposure to white light. Read the full text of the article at 10.1002/cphc.201500150.
The economic impact of patients with heart failure on the Lebanese healthcare system
Authors: Tatari Souzan , Soubra Lama , Tamim Hani , Akhras Kassem , Kabbani Samer 
Published: June 2015

AbstractAimsThis paper aimed to calculate the annual cost for heart failure (HF) patients in Lebanon.Methods and resultsHeart failure care can reach up to $31 billion annually in the USA. Data in Lebanon are lacking. Estimating it based on USA data is biased; hence, collecting data from all healthcare providers will reflect the actual cost in Lebanon. Data were collected from all healthcare providers on HF hospitalization during the year 2012. In addition, data from 600 outpatient visits were collected by medical students to estimate the cost for outpatient care. The total cost was calculated by adding up all hospitalization cost‐plus outpatient‐estimated cost. There were 72 000 individuals suffering from HF. The hospitalization care in Lebanon is largely delivered by the public sector (91% public vs 9% private). However, the outpatient care is largely paid cash by patients. The direct cost for HF hospitalizations paid by the public and the private sector was $38 081 535. The average cost for each HF hospitalization was $3769. The direct cost for outpatients care was estimated at $65 592 000. The average cost for outpatient care was $911 per patient per year. The annual total direct cost was calculated at $103 673 535. The true cost was almost one third the extrapolated cost based on US statistics ($103 673 535 vs 268 370 607, respectively).ConclusionsThe annual total direct cost for HF patients in Lebanon in 2012 was $103 673 535, which is much less than the extrapolated cost based on US statistics.
Modelling Binuclear Metallobiosites: Insights from Pyrazole‐Supported Biomimetic and Bioinspired Complexes
Authors: Dalle Kristian E. , Meyer Franc 
Published: June 2015

AbstractNumerous enzymes use two closely spaced metal ions to activate and transform small molecules. This allows these biocatalysts to perform diverse physiological functions, achieving impressive chemistry under remarkably mild conditions. Model studies of these metalloenzymes contribute to furthering our understanding of the unusual mechanistic aspects and interplay of cooperative effects used by Nature, and help provide clues as to how such reactivity might be harnessed for applications outside of the natural systems. This microreview describes synthetic models of binuclear metalloenzymes, focusing on complexes which are bridged by pyrazole ligand scaffolds. Structural and functional models of iron, nickel, copper and zinc binuclear active sites are discussed, in addition to several cobalt complexes possessing biologically relevant features. Metal separation and secondary‐coordination‐sphere interactions are recurring themes which aid in highlighting aspects of common importance in the native enzymes.
Pd‐Catalyzed Functionalization of the Thenoyltrifluoroacetone Coligands by Aromatic Dyes in Bis(cyclometallated) IrIII Complexes: From Phosphorescence to Fluorescence?­
Authors: Dang Tung T. , Bonneau Mickaële , Gareth Williams J. A. , Le Bozec Hubert , Doucet Henri , Guerchais Véronique 
Published: June 2015

AbstractThe synthesis, characterization and photophysical properties of a series of neutral Ir(CN‐Meppy)2(OO‐tta‐Ar) (MeppyH = 4‐methyl‐2‐phenylpyridine; tta = thenoyltrifluoroacetonate) complexes containing new functionalized tta‐Ar ligands in which the incorporated Ar group is an aromatic dye such as naphthalene, pyrene, naphthalimide or coumarin, are reported. The arylated proligands ttaH‐Ar are readily obtained in two steps through Pd‐catalyzed C–H bond activation of 2‐acetylthiophene. In contrast to the parent Ir(CN)2(OO) complexes, which are phosphorescent in solution at room temperature, all of the arylated complexes display fluorescence, and the phosphorescence emission is quenched. Thus, this work shows that the incorporation of such aromatic dyes in the tta ligand has a dramatic influence on the photophysical properties of the resulting Ir complexes.
The Role of the Ligand‐to‐Metal Charge‐Transfer State in the Dipivaloylmethanate‐Lanthanide Intramolecular Energy Transfer Process
Authors: Miranda Yolanda C. , Pereira Leide L. A. L. , Barbosa José H. P. , Brito Hermi F. , Felinto Maria C. F. C. , Malta Oscar L. , Faustino Wagner M. , Teotonio Ercules E. S. 
Published: June 2015

AbstractTwo new bis(dipivaloylmethanate)nitrato‐bis(triphenylphosphine oxide)lanthanide(III) complexes [Eu(dpm)2(NO3)(tppo)2] (1) and [Tb(dpm)2(NO3)(tppo)2] have been prepared in monomeric form. The structural behavior of these coordination compounds is significantly different from those of [Eu2(dpm)6] and [Tb2(dpm)6] dimeric complexes. The photoluminescent properties of the monomeric and dimeric complexes are dependent on the energy positions of the low‐lying ligand‐to‐metal charge‐transfer (LMCT) state, which may be correlated with the chelating and chelate bridging coordination modes of the dpm ligand, respectively. The monomeric complex presents higher luminescence intensity than the dimeric complex due to the higher energy of the LMCT state in this system. Although the excited energy levels of the EuIII ion in complex 1 undergo efficient depopulation by LMCT, the same is not observed for the 5D0 emitting level, which presents values of the emitting lifetime that are almost temperature independent. The triboluminescence phenomenon of the [Ln(dpm)2(NO3)(tppo)2] complex is also discussed.
Long‐Term Stability and Reproducibility of Magnetic Colloids Are Key Issues for Steady Values of Specific Power Absorption over Time
Authors: Sanz Beatriz , Calatayud M. Pilar , Cassinelli Nicolás , Ibarra M. Ricardo , Goya Gerardo F. 
Published: June 2015

AbstractVirtually all clinical applications of magnetic nanoparticles (MNPs) require the formulation of biocompatible, water‐based magnetic colloids. For magnetic hyperthermia, the requirements also include a high colloidal stability against precipitation and agglomeration of the constituent MNPs to maintain the heating efficiency of the ferrofluid in the long term. Agglomeration can change the heating efficiency by forming MNP clusters that modify the magnetic dipolar interactions between particles. Additionally, precipitation of the MNPs (i.e., the heating sources within the liquid) can change the measured heating rates of a colloid by altering the heat flow dynamics as the particles plunge to the precipitate. The specific power absorption (SPA) of single‐domain MNPs depends critically on the average particle size and size distribution width and therefore first‐rate reproducibility of different batches with respect to these parameters is also needed. We have studied the evolution of the SPA of highly reproducible and stable water‐based colloids composed of polymer‐coated Fe3O4 magnetic nanoparticles. By measuring the specific power absorption (SPA) values for 1 year as a function of field amplitude and frequency (H ≤ 24 kA/m; 260 ≤ f ≤ 830 kHz), we have demonstrated that the SPA values of these samples can be reproduced in successive synthetic batches and stable for several months due to the in situ polymer coating that provides colloidal stability and keeps dipolar interactions negligible.
Reactions of Laser‐Ablated U Atoms with HCN: Infrared Spectra in Solid Argon and Quantum Chemical Calculations for HUNC
Authors: Gong Yu , Cho Han‐Gook , Andrews Lester 
Published: June 2015

AbstractReactions of laser‐ablated U atoms with HCN produce HUNC, which is identified from its argon matrix infrared spectrum of strong N–C and U–H stretching modes at 2028 and 1417 cm–1. B3LYP calculations show that the unobserved HUCN isomer has a 6.3 kcal/mol higher energy, and its C–N stretching mode is about 125 cm–1 higher with more than an order of magnitude weaker intensity. Complementary experiments were done with thorium and group 4 metal atoms to form the analogous HMNC species for comparison and to demonstrate metal dependence for these new metal‐bearing product absorptions.
A Kumada Coupling Catalyst, [Ni{(Ph2­P)2N(CH2)3Si(OCH3)3‐P,P′}Cl2], Bearing a Ligand for Direct Immobilization Onto Siliceous Mesoporous Molecular Sieves
Authors: Stamatopoulos Ioannis , Giannitsios Dimitrios , Psycharis Vassilis , Raptopoulou Catherine P. , Balcar Hynek , Zukal Arnošt , Svoboda Jan , Kyritsis Panayotis , Vohlídal Jiří 
Published: June 2015

AbstractThe ligand‐exchange reaction between [Ni(PPh3)2Cl2] and (Ph2P)2N(CH2)3Si(OCH3)3 afforded the novel NiII complex [Ni{(Ph2P)2N(CH2)3Si(OCH3)3‐P,P′}Cl2] (1) in which the square‐planar NiP2Cl2 coordination sphere contains a four‐membered Ni–P–N–P ring. Comparison of the structure of 1 and related NiII square‐planar or Ni0 tetrahedral complexes containing similar P–N–P ligands shows that the magnitude of the P–Ni–P angle is controlled by the presence of the Ni–P–N–P ring, irrespective of the geometry of the nickel coordination sphere. Direct anchoring of 1 onto SBA‐15 molecular sieves through the trimethoxysilyl end‐group of the ligand afforded heterogeneous catalyst 1/SBA‐15. Both 1 and 1/SBA‐15 catalyze Kumada cross‐coupling reactions, exhibiting similar activity and a slightly higher product selectivity than the [Ni{Ph2P(CH2)3PPh2‐P,P′}Cl2] and [Ni{(Ph2P)2N‐(S)‐CHMePh‐P,P′}X2] (X = Cl, Br) complexes described in the literature. The Grignard reagent employed is likely to induce leaching of the catalyst, which retains its activity in solution.
A C‐3‐Selective Direct Alkylation of Coumarins by Using a Microwave‐Assisted Xanthate‐Based Radical Reaction
Authors: Miranda Luis D. , Icelo‐Ávila Estefanía , Rentería‐Gómez Ángel , Pila Michell , Marrero Joaquín G. 
Published: June 2015

AbstractA xanthate‐based oxidative radical process for the direct alkylation of the coumarin ring system is presented. In the reaction, a vinylic and unactivated C–H bond of the coumarin system is replaced by an α‐acyl functionality under neutral conditions. This reaction has a high reaction site selectivity, which can realize alkylation at the C‐3 position.
Silver Triflate Catalyzed Cyclopropyl Carbinol Rearrangement for Benzo[b]oxepine and 2H‐Chromene Synthesis
Authors: Chan Philip Wai Hong , Teo Wan Teng , Koh Shaun Wei Yong , Lee Bo Ra , Ayers Benjamin James , Ma Dik‐Lung , Leung Chung‐Hang 
Published: June 2015

AbstractAn efficient AgOTf‐catalyzed (TfO = trifluoromethanesulfonate) cyclopropyl carbinol rearrangement for the synthesis of benzo[b]oxepines and 2H‐chromenes is reported by starting from 2‐[cyclopropyl(hydroxy)methyl]phenols. The reactions proved to be general in scope and furnished a range of the corresponding functionalized oxygen heterocycles. The formation of the benzo‐fused six‐membered adduct is proposed to result from the ring‐contraction of the benzo[b]oxepine derivative. Control of the product selectivity is achievable by fine‐tuning the reaction time. The catalytic synergy between the silver(I) cation and the triflate anion was essential for optimal product yields.
An Unexpected Pathway to Enantiomerization of Hemithioketals in Toluene Involving a Dimeric Transition State: A Combined Experimental and Computational Study
Authors: Bottoni Andrea , Calvaresi Matteo , Cosimelli Barbara , Mazzanti Andrea , Rambaldi Mirella , Spinelli Domenico 
Published: June 2015

Abstract5‐Alkyl‐8‐aryl‐8‐hydroxy‐8H‐[1,2,4]oxadiazolo[3,4‐c][1,4]thiazin‐3‐ones (1) and their thioketals (2) represent interesting hits as LTTC blockers as well as inhibitors of MDR1 activity. Compounds 1 contain an unstable chiral centre which can give rise to an enantiomerization process, because of the possible equilibrium with the open‐chain forms 4. We have carried out a combined experimental‐computational study on the 1/4 equilibrium in toluene by using the 8‐(4‐bromophenyl)‐5‐ethyl‐8‐hydroxy‐8H‐[1,2,4]oxadiazolo[3,4‐c][1,4]thiazin‐3‐one (1a), containing two diastereotopic hydrogen atoms. 1H‐NMR techniques have allowed to calculate the relevant energy barriers for the enantiomerization process (ca. 20 kcal mol–1). QM computations have individuated a transition state for a concerted asynchronous process occurring on a dimer of 1a with an activation barrier (ca. 23 kcal mol–1) in rather good agreement with the 1H‐NMR experimental value, thus showing how a spontaneous mutarotation process could occur in non‐polar aprotic solvent.
Catalytic Enantioselective Synthesis of α‐(Benzylamino)cyclobutanones
Authors: Melis Nicola , Ghisu Lorenza , Guillot Régis , Caboni Pierluigi , Secci Francesco , Aitken David J. , Frongia Angelo 
Published: June 2015

AbstractAn organocatalytic enantioselective synthesis of α‐(benzylamino)cyclobutanones has been achieved by employing a tandem condensation/intramolecular rearrangement/proton transfer reaction and starting from racemic α‐hydroxycyclobutanone and a selection of benzylamines. This reaction sequence afforded the products in good to high yields with moderate to high enantioselectivities.
Carbon Dioxide Reforming of Methane using an Isothermal Redox Membrane Reactor
Authors: Michalsky Ronald , Neuhaus Dominique , Steinfeld Aldo 
Published: June 2015

AbstractThe continuous production of carbon monoxide (CO) and hydrogen (H2) by dry reforming of methane (CH4) is demonstrated isothermally using a ceramic redox membrane in absence of additional catalysts. The reactor technology realizes the continuous splitting of CO2 to CO on the inner side of a tubular membrane and the partial oxidation of CH4 with the lattice oxygen to form syngas on the outer side. La0.6Sr0.4Co0.2Fe0.8O3‐δ (LSCF) membranes evaluated at 840–1030 °C yielded up to 1.27 μmol CO  s−1 from CO2, 3.77 μmolH₂ g−1 s−1 from CH4 , and CO from CH4 at approximately the same rate as CO from CO2. We compute the free energy of the oxygen vacancy formation for La0.5Sr0.5B0.5B′0.5O3−δ (B, B′=Mn, Fe, Co, Cu) using electronic structure theory to understand how CO2 reduction limits dry reforming of methane using LSCF and to show how the CO2 conversion can be increased by using advanced redox materials such as La0.5Sr0.5MnO3−δ and La0.5Sr0.5Mn0.5Co0.5O3−δ.
Quantifying sheet wash erosion rates in a mountainous semi‐arid basin using environmental radionuclides and a stream power model
Authors: Geng Haopeng , Pan Baotian , Milledge David G , Huang Bo , Zhang Guoliang 
Published: June 2015

AbstractErosion rates and processes define how mountainous landscapes evolve. This study determines the range of erosion rates in a semi‐arid landscape over decadal time spans and defines the dominant processes controlling variability in erosion rates. The varying topography and climatic regimes of the Xiying Basin (Qilian Shan Mountains, China) enables us to examine the relative roles of sheet wash versus rainsplash and the influence of vegetation on soil erosion and deposition. Soil erosion rates since 1954 were determined using 137Cs along 21 transects at four sites with varying gradient, rainfall, and vegetation cover. The mean 137Cs derived soil erosion rate ~0.42 mm/a was consistent with the catchment level erosion rate derived from total sediment yield for a 44 year record. However, there is considerable variability in 137Cs erosion rates both between transects and along transects, perhaps reflecting variation not only in the effectiveness of individual processes but also in their relative roles. We compare the 137Cs‐derived erosion rates with 1‐D models for sediment flux that incorporate sheet wash and rainsplash processes, testing them over a previously untested 60 year timescale. The variability in 137Cs erosion rates along transects is best replicated by sheet wash dominated simulations, suggesting that this is the dominant erosion process in this semi‐arid landscape. The functional form of the sheetwash model can also explain our observations that 137Cs erosion rates decrease with upslope length (i.e. distance down slope) while its variability increases. However, sparsely vegetated sites, located in slightly drier locations, have higher erosion rates, and are not as accurately modeled as densely vegetated sites, suggesting that patchiness of vegetation introduces fine scale variability in erosion rates on these slopes. Copyright © 2015 John Wiley & Sons, Ltd.
Lottery Payment Cards: A Study of Mental Accounting
Authors: Yang Ann Shawing 
Published: June 2015

SummaryThis study analyses the difficulties of using stored‐value cards for noncash payment adoption and payment framing behaviour development. This study applies the Rasch model via mental accounting theory to identify unobservable and latent difficulties in adopting noncash payment instruments for lottery participation. Anonymity, a reduction in cash carrying, and convenient purchases have discouraged noncash payment adoptions. However, consumers prefer stored‐value cards because they are easy to carry and reduce payment time and long waits. Consumers also develop payment framing behaviour difficulties from crediting up to the maximum stored value and fear of insufficient cash, with preferences for period purchases. Lower income significantly discourages noncash payment adoption and payment framing behaviour development, whereas being of a younger age causes significant payment framing difficulties. Regional variations differ in convenience, anonymity, stored value, balance checking, and indirect donations. The moderating effect between income and age also positively significantly influences noncash payment adoption and payment framing behaviour. Copyright © 2015 John Wiley & Sons, Ltd.