bluuebunny/crossref_metadata_2025_split huggingface dataset:
A novel approach to reduce radial artery occlusion after transradial catheterization: Postprocedural/prehemostasis intra‐arterial nitroglycerin
Authors: Dharma Surya , Kedev Sasko , Patel Tejas , Kiemeneij Ferdinand , Gilchrist Ian C. 
Published: September 2014

ObjectiveTo evaluate whether administration of nitroglycerin through the sheath at the end of a transradial procedure might preserve the patency of the radial artery. Background: Despite the increasing acceptance of transradial approach, radial artery occlusion (RAO) continues to be a vexing problem of transradial access and limits utility of the radial artery as an access site in the future.MethodsWe conducted a multicenter, prospective, randomized, placebo‐controlled, operator‐blinded trial and enrolled 1,706 patients who underwent transradial catheterization in three experienced radial centers. Patients were randomized to receive either 500 µg nitroglycerin (n = 853) or placebo (n = 853), given intra‐arterially through the sheath at the end of the radial procedure. The primary outcome was the incidence of RAO as confirmed by absence of antegrade flow at one day after the transradial procedure evaluated by duplex ultrasound of the radial artery.ResultsThe use of nitroglycerin, as compared with placebo, reduced the risk of the primary outcome [8.3% vs. 11.7%; odds ratio, 0.62; 95% confidence interval (CI), 0.44–0.87; P = 0.006]. From a multivariable analysis, duration of hemostasis was a predictor of RAO (odds ratio, (odds ratio, 3.11; 95% CI, 1.66 to 5.82; P < 0.001). There were no significant differences between the groups with respect to the sheath size (P = 0.311), number of puncture attempts (P = 0.941), duration of hemostasis (P = 0.379) and procedural time (P = 0.095).ConclusionThe administration of nitroglycerin at the end of a transradial catheterization, reduced the incidence of RAO, examined 1 day after the radial procedure by ultrasound. Postprocedural/prehemostasis pharmacologic regimens may represent a novel target for further investigation to reduce RAO. © 2014 Wiley Periodicals, Inc.
Femoral vascular closure device use, bivalirudin anticoagulation, and bleeding after primary angioplasty for STEMI: Results from the HORIZONS‐AMI trial
Authors: Sanborn Timothy A. , Tomey Matthew I. , Mehran Roxana , Généreux Philippe , Witzenbichler Bernhard , Brener Sorin J. , Kirtane Ajay J. , McAndrew Thomas C. , Kornowski Ran , Dudek Dariusz , Nikolsky Eugenia , Stone Gregg W. 
Published: September 2014

ObjectiveTo assess the relationship of femoral vascular closure device (VCD) use to bleeding and ischemic events in patients undergoing primary percutaneous coronary intervention (PCI) for ST‐segment elevation myocardial infarction (STEMI) via different anticoagulation strategies.BackgroundIt is unknown whether femoral VCD reduce major bleeding after primary PCI for STEMI using bivalirudin anticoagulation.MethodsWe compared VCD‐treated patients with propensity‐matched controls in the HORIZONS‐AMI trial with respect to net adverse clinical events (NACE), defined as the composite of major bleeding unrelated to coronary artery bypass graft surgery (CABG) and major adverse cardiac events (comprised of death, reinfarction, ischemia‐driven target vessel revascularization, and stroke), at 30 days and 1 year.ResultsAmong 3,602 patients enrolled in HORIZONS‐AMI, 2,948 underwent primary PCI via femoral arterial access and 896 (30%) received VCDs, of whom 642 were included in our model along with 642 propensity‐matched controls. At 30 days, VCD‐treated patients had significantly less NACE (6.7% vs. 10.8%, HR: 0.61, 95% CI: 0.42–0.89, P = 0.009), driven by a lower rate of non‐CABG related major bleeding (5.0% vs. 8.1%, HR: 0.61, 95% CI: 0.39–0.94, P = 0.02). Bleeding reduction was maintained at one year and consistent in magnitude regardless of randomization to bivalirudin or unfractionated heparin plus a glycoprotein IIb/IIIa inhibitor (P for interaction = 0.84).ConclusionIn patients undergoing transfemoral primary PCI for STEMI, VCD use was associated with significantly lower non‐CABG major bleeding irrespective of anticoagulation strategy. © 2014 Wiley Periodicals, Inc.
Behaviour of Amorphous Aluminosilicates towards Ageing by High‐Temperature Steaming
Authors: Caillot Maxime , Chaumonnot Alexandra , Digne Mathieu , Van Bokhoven Jeroen A. 
Published: September 2014

AbstractThe structure of amorphous aluminosilicates obtained by grafting silicon on alumina (Si/Al2O3) mostly remains the same after ageing by steaming. The rearrangement of surface silicon species on the facets of γ‐alumina slightly decreases the number of Brønsted acid sites, which is determined through ethanol adsorption followed by thermogravimetry as well as m‐xylene isomerisation. Al/SiO2 prepared by grafting aluminium on silica undergoes sintering of the silica support and the agglomeration of the surface aluminium species during steaming. This process leads to a sharp decrease in the number of Brønsted acid sites, which are associated with the dispersed aluminium species, and dehydroxylation of the silica surface.
Enzyme Biofuel Cells: Thermodynamics, Kinetics and Challenges in Applicability
Authors: Luz Roberto A. S. , Pereira Andressa R. , de Souza João C. P. , Sales Fernanda C. P. F. , Crespilho Frank N. 
Published: September 2014

AbstractIn the last decade, several studies from different fields have contributed significantly to the development of the enzyme biofuel cell (BFC). Moreover, the design of biocatalyst‐modified electrodes is a model for the development of synthetic and biomimetic electrocatalysts. The revival of the interest in the old BFC idea developed in the early 20th century is related to the development of new electrode materials as well as to the potential application of enzyme BFC miniaturisation in implantable bioelectronics. Furthermore, fundamental studies on half‐cells and electron transfer involving protein film electrodes performed in the last few decades have established new types of electrodes for BFC applications. In terms of applicability, some research groups have sought to obtain unit cells with different properties and characteristics such as membrane‐less BFCs by using flexible and low‐costing materials; in addition, micrometric BFCs, which can be implanted in different body parts, have also been developed to supply electrical power to bioelectronics devices. Thus, in this review, we focus on introducing the main concepts and challenges in enzyme BFC research. Some important topics in kinetics and thermodynamics applied to BFCs are also discussed. Wherever possible, an extensive review of works undertaken in recent years is performed. The topics are organised into three major themes: thermodynamics, kinetics and challenges in applicability.
Proton‐Transfer Reaction Dynamics and Energetics in Calcification and Decalcification
Authors: Suwa Ryota , Hatta Masayuki , Ichikawa Kazuhiko 
Published: September 2014

AbstractCaCO3‐saturated saline waters at pH values below 8.5 are characterized by two stationary equilibrium states: reversible chemical calcification/decalcification associated with acid dissociation, Ca2++HCO3−⇌CaCO3+H+; and reversible static physical precipitation/dissolution, Ca2++CO32−⇌CaCO3. The former reversible reaction was determined using a strong base and acid titration. The saturation state described by the pH/PCO2‐independent solubility product, [Ca2+][CO32−], may not be observed at pH below 8.5 because [Ca2+][CO32−]/([Ca2+][HCO3−]) ≪1. Since proton transfer dynamics controls all reversible acid dissociation reactions in saline waters, the concentrations of calcium ion and dissolved inorganic carbon (DIC) were expressed as a function of dual variables, pH and PCO2. The negative impact of ocean acidification on marine calcifying organisms was confirmed by applying the experimental culture data of each PCO2/pH‐dependent coral polyp skeleton weight (Wskel) to the proton transfer idea. The skeleton formation of each coral polyp was performed in microspaces beneath its aboral ectoderm. This resulted in a decalcification of 14 weight %, a normalized CaCO3 saturation state Λ of 1.3 at PCO2 ≈400 ppm and pH ≈8.0, and serious decalcification of 45 % and Λ 2.5 at PCO2 ≈1000 ppm and pH ≈7.8.
Dynamic Effects Dictate the Mechanism and Selectivity of Dehydration–Rearrangement Reactions of Protonated Alcohols [Me2(R)CCH(OH2)Me]+ (R=Me, Et, iPr) in the Gas Phase
Authors: de Souza Miguel A. F. , Ventura Elizete , Monte Silmar A. do , Riveros José M. , Longo Ricardo L. 
Published: September 2014

AbstractThe gas‐phase dehydration–rearrangement (DR) reactions of protonated alcohols [Me2(R)CCH(OH2)Me]+ [R=Me (ME), Et (ET), and iPr (I‐PR)] were studied by using static approaches (intrinsic reaction coordinate (IRC), Rice–Ramsperger–Kassel–Marcus theory) and dynamics (quasiclassical trajectory) simulations at the B3LYP/6‐31G(d) level of theory. The concerted mechanism involves simultaneous water dissociation and alkyl migration, whereas in the stepwise reaction pathway the dehydration step leads to a secondary carbocation intermediate followed by alkyl migration. Internal rotation (IR) can change the relative position of the migrating alkyl group and the leaving group (water), so distinct products may be obtained: [Me(R)CCH(Me)Me⋅⋅⋅OH2]+ and [Me(Me)CCH(R)Me⋅⋅⋅OH2]+. The static approach predicts that these reactions are concerted, with the selectivity towards these different products determined by the proportion of the conformers of the initial protonated alcohols. These selectivities are explained by the DR processes being much faster than IR. These results are in direct contradiction with the dynamics simulations, which indicate a predominantly stepwise mechanism and selectivities that depend on the alkyl groups and dynamics effects. Indeed, despite the lifetimes of the secondary carbocations being short (<0.5 ps), IR can take place and thus provide a rich selectivity. These different selectivities, particularly for ET and I‐PR, are amenable to experimental observation and provide evidence for the minor role played by potential‐energy surface and the relevance of the dynamics effects (non‐IRC pathways, IR) in determining the reaction mechanisms and product distribution (selectivity).
Bispyrrolylbenzene Anion Receptor: From Supramolecular Switch to Molecular Logic Gate
Authors: Granda Jarosław M. , Staszewska‐Krajewska Olga , Jurczak Janusz 
Published: September 2014

AbstractWe have designed anion receptor 4 based on a conformationally labile bispyrrolylbenzene framework, the conformation of which can be changed by appropriate anionic stimuli. In the absence of fluoride anion, the pyrrole moieties rotate freely at room temperature. However, when the concentration of fluoride anion exceeds 2 equivalents, the rotation of the pyrrole units slows down and the conformation of the receptor changes to anti‐anti. DFT calculations have shown that this change is due to binding of a third fluoride anion through CH interaction. Anion receptor 4 can also serve as a molecular logic gate. Anionic inputs such as fluoride and dihydrogenphosphate allow the realization of INHIBIT and NAND logic gate functions with absorption and fluorescence as readouts, respectively.
Natural Compounds against Neurodegenerative Diseases: Molecular Characterization of the Interaction of Catechins from Green Tea with Aβ1–42, PrP106–126, and Ataxin‐3 Oligomers
Authors: Sironi Erika , Colombo Laura , Lompo Angela , Messa Massimo , Bonanomi Marcella , Regonesi Maria Elena , Salmona Mario , Airoldi Cristina 
Published: September 2014

AbstractBy combining NMR spectroscopy, transmission electron microscopy, and circular dichroism we have identified the structural determinants involved in the interaction of green tea catechins with Aβ1–42, PrP106–126, and ataxin‐3 oligomers. The data allow the elucidation of their mechanism of action, showing that the flavan‐3‐ol unit of catechins is essential for interaction. At the same time, the gallate moiety, when present, seems to increase the affinity for the target proteins. These results provide important information for the rational design of new compounds with anti‐amyloidogenic activity and/or molecular tools for the specific targeting of amyloid aggregates in vivo.
Super Sensitization: Grand Charge (Hole/Electron) Separation in ATC Dye Sensitized CdSe, CdSe/ZnS Type‐I, and CdSe/CdTe Type‐II Core–Shell Quantum Dots
Authors: Debnath Tushar , Maity Partha , Ghosh Hirendra N. 
Published: September 2014

AbstractUltrafast charge‐transfer dynamics has been demonstrated in CdSe quantum dots (QD), CdSe/ZnS type‐I core–shell, and CdSe/CdTe type‐II core–shell nanocrystals after sensitizing the QD materials by aurin tricarboxylic acid (ATC), in which CdSe QD and ATC form a charge‐transfer complex. Energy level diagrams suggest that the conduction and valence band of CdSe lies below the LUMO and the HOMO level of ATC, respectively, thus signifying that the photoexcited hole in CdSe can be transferred to ATC and that photoexcited ATC can inject electrons into CdSe QD, which has been confirmed by steady state and time‐resolved luminescence studies and also by femtosecond time‐resolved absorption measurements. The effect of shell materials (for both type‐I and type‐II) on charge‐transfer processes has been demonstrated. Electron injection in all the systems were measured to be <150 fs. However, the hole transfer time varied from 900 fs to 6 ps depending on the type of materials. The hole‐transfer process was found to be most efficient in CdSe QD. On the other hand, it has been found to be facilitated in CdSe/CdTe type‐II and retarded in CdSe/ZnS type‐I core–shell materials. Interestingly, electron injection from photoexcited ATC to both CdSe/CdTe type‐II and CdSe/ZnS type‐I core–shell has been found to be more efficient as compared to pure CdSe QD. Our observation suggests the potential of quantum dot core–shell super sensitizers for developing more efficient quantum dot solar cells.
Higher Hydrocarbon Production through Oxidative Coupling of Methane Combined with Hydrogenation of Carbon Oxides
Authors: Albrecht Matthias , Rodemerck Uwe , Kondratenko Evgenii V. 
Published: September 2014

AbstractIn the production of higher hydrocarbons, combining oxidative coupling of methane (OCM) with hydrogenation of the formed carbon oxides in a separate reactor provides an alternative to the currently applied methane conversion to syngas followed by Fischer‐Tropsch synthesis. The effects of CH4:O2 feed ratio in the OCM reactor and partial pressures of H2 or/and H2O in the hydrogenation reactor were analyzed to maximize production of C2+ hydrocarbons and reduce COx formation. The highest C2+ yield was achieved with low CH4:O2 feed ratio for OCM and removal of the formed water before entering the hydrogenation reactor.
Carotenoids as a Shortcut for Chlorophyll Soret‐to‐Q Band Energy Flow
Authors: Götze Jan P. , Kröner Dominik , Banerjee Shiladitya , Karasulu Bora , Thiel Walter 
Published: September 2014

AbstractIt is proposed that xanthophylls, and carotenoids in general, may assist in energy transfer from the chlorophyll Soret band to the Q band. Ground‐state (1Ag) and excited‐state (1Bu) optimizations of violaxanthin (Vx) and zeaxanthin (Zx) are performed in an environment mimicking the light‐harvesting complex II (LHCII), including the closest chlorophyll b molecule (Chl). Time‐dependent density functional theory (TD‐DFT, CAM‐B3LYP functional) is used in combination with a semi‐empirical description to obtain the excited‐state geometries, supported by additional DFT/multireference configuration interaction calculations, with and without point charges representing LHCII. In the ground state, Vx and Zx show similar properties. At the 1Bu minimum, the energy of the Zx 1Bu state is below the Chl Q band, in contrast to Vx. Both Vx and Zx may act as acceptors of Soret‐state energy; transfer to the Q band seems to be favored for Vx. These findings suggest that carotenoids may generally mediate Soret‐to‐Q energy flow in LHCII.
The Major Influences of Substituent Size and Position of 3,4‐Propylenedioxythiophene on the Formation of Highly Hydrophobic Nanofibers
Authors: Mortier Claudio , Darmanin Thierry , Guittard Frédéric 
Published: September 2014

AbstractThe influence of the substituent size and position of 3,4‐propylenedioxythiophene (ProDOT) on the surface properties of the corresponding electrodeposited polymer films is shown. The study investigates the influence on the formation of hydrophobic nanofibers using two substituents (isopropyl and tert‐butyl). The 3‐position of ProDOT is the best for the formation of nanofibers, because it leads to the longest polymer chains while also leading to the highest intrinsic hydrophobicity, two effects that increase the formation of surface structures.
Metal(II)–Organic Coordination Polymers Modulated by Two Isomeric Semirigid Bis‐Pyridyl–Bis‐Amide Ligands: Structures, Fluorescent Sensing Behavior, and Selective Photocatalysis
Authors: Wang Xiu‐Li , Luan Jian , Lin Hong‐Yan , Lu Qi‐Lin , Le Mao , Liu Guo‐Cheng , Shao Ji‐Yan 
Published: September 2014

AbstractA series of metal–organic coordination polymers based on two isomeric semirigid bis‐pyridyl–bis‐amide ligands and 5‐methylisophthalic acid (5‐H2MIP), namely, [Cu(3‐bpah)(5‐MIP)]⋅2 H2O (1), [Ni(3‐bpah)(5‐MIP)]⋅H2O (2), [Co(3‐bpah)(5‐MIP)]⋅H2O (3), [Cu(4‐bpah)(5‐MIP)(H2O)] (4), [Ni(4‐bpah)(5‐MIP)(H2O)]⋅H2O (5), [Co(4‐bpah)(5‐MIP)] (6), [Zn(4‐bpah)(5‐MIP)] (7), and [Cd(4‐bpah)(5‐MIP)] (8) (3‐bpah=N,N′‐bis(3‐pyridinecarboxamide)‐1,2‐cyclohexane, 4‐bpah=N,N′‐bis(4‐pyridinecarboxamide)‐1,2‐cyclohexane), have been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectroscopy, powder X‐ray diffraction, thermogravimetric analysis, and single‐crystal X‐ray diffraction analyses. The title coordination polymers display versatile structural features with one‐, two‐, and three‐dimensional frameworks. Complex 1 exhibits a two‐dimensional (4,4) network named as type c, which is constructed from the arched 3‐bpah and 5‐MIP anions with alternating orientations. Complexes 2 and 3 show similar three‐dimensional frameworks, which feature a trinodal (2,3,5)‐connected topology with the Schläfli symbol of (42⋅6⋅84⋅102⋅12)(42⋅6)(8). Complex 4 exhibits an undulated two‐dimensional (4,4) network of type b, in which the twist angles of the ligands are different from those of 1. Complex 5 reveals a one‐dimensional double‐strand chain, whereas complexes 6–8 exhibit similar two‐dimensional double‐layer structures with (42⋅6)(43⋅6⋅84⋅102)(4) topology. The influence of semirigid bis‐pyridyl–bis‐amide ligands and central metals on the structures of the title complexes has been reported. The fluorescent sensing behaviors of complexes 7 and 8, and the electrochemical and photocatalytic properties of complexes 1–6 have also been investigated in detail.
Facile Synthesis of SnO2/Fe2O3 Hollow Spheres and their Application as Anode Materials in Lithium‐ion Batteries
Authors: Jin Rencheng , Guan Yanshuai , Liu Hong , Zhou Junhao , Chen Gang 
Published: September 2014

AbstractHierarchical SnO2/Fe2O3 hollow spheres are fabricated through the solvothermal method accompanied by a facile solution procedure in the absence of any surfactant. The composition, crystalline structure, morphology, and electrochemical properties of the synthesized product are investigated systematically. The SnO2/Fe2O3 as an anode material in Li‐ion batteries demonstrates a better reversible capacity and very good rate capability and cyclic performance compared with pure‐phase SnO2 hollow spheres. The greatly enhanced Li‐ion storage capability of the SnO2/Fe2O3 hollow spheres is believed to result from the synergy of the two materials, SnO2 and Fe2O3, which provides breathable aggregates for effective buffering of the drastic volume changes during the charge/discharge process. This work reports a promising method for the design and preparation of nanocomposite electrodes for Li‐ion batteries.
Adolescent social instability stress increases aggression in a food competition task in adult male Long‐Evans rats
Authors: Cumming Mark J. , Thompson Madison A. , McCormick Cheryl M. 
Published: September 2014

ABSTRACTAdolescent social instability stress (SS; daily 1 hr isolation + new cage partners postnatal days 30–45; thereafter with original cage partner, also in the SS condition) and control (CTL) rats competed for access to a preferred food in five sessions against their cage partner. In the first session, SS pairs displayed more aggression (face whacks, p = .02; rear attacks, p = .03), were less likely to relinquish access to the food voluntarily (p = .03), spent more time at the feeder than CTL pairs (p = .06), but did not differ in latency to access the feeder (p = .41). Pairs were considered in dominant–submissive relationships (DSR) if one rat spent significantly more time at the feeder than the other; 8 of 12 SS and 8 of 12 CTL pairs displayed DSRs (remaining: no‐DSR). Aggression increased from the 1st to 5th session (p < .001), was greater in no‐DSR than DSR pairs (p = .04; consistent with the proposed function of DSRs to be the reduction of aggression in groups), and was higher in SS than CTL pairs (p = .05). Because the increased aggression of SS compared with CTL pairs did not result in a significant increase in their time at the feeder, the increased aggression may be considered maladaptive, and may reflect an increased motivation for food reward. These results add to evidence that SS in adolescence modifies the adult social repertoire of rats and highlight the importance of adolescent social experiences for adult behavior. © 2014 Wiley Periodicals, Inc. Dev Psychobiol 56: 1575–1588, 2014.
Antioxidant activity of various Mauritanian date palm (Phoenix dactylifera L.) fruits at two edible ripening stages
Authors: Mohamed Lemine Fouteye Mint , Mohamed Ahmed Mohamed Vall O. , Ben Mohamed Maoulainine Lobna , Bouna Zein el Abidine O. , Samb Abdoulaye , O. Boukhary Ali O. Mohamed Salem 
Published: September 2014

AbstractThe increasing interest in plant phenolics and flavonoids outlined the necessity of determining their contents and biological activity in Mauritanian date palm fruits. Methanolic extracts of fruit of six date palm cultivars commonly grown in Mauritania were screened for their antioxidant activity, total phenolics, and flavonoid content at two edible ripening stages. Polyphenols and flavonoids were higher in the Blah stage, corresponding to Khalal in the standard Iraqi Arabic nomenclature, compared to the fully mature Tamr stage regardless the cultivar. The average of total phenolics at Blah and Tamr stages were 728.5 and 558.9 mg gallic acid equivalents (GAE) per 100 g dry matter (DM), whereas the average flavonoid content was 119.6 and 67.3 mg quercetin equivalents (QE) per 100 g DM, respectively. The Blah stage also exhibited the highest total antioxidant activity with a Trolox equivalents antioxidant capacity (TEAC) value of 129.3 μmol/100 g DM founded in Bou seker's Blah date, followed by Tijib cultivar with TEAC value of 114.3 μmol/100 g DM and an average TEAC value of 107.5 μmol/100 g DM. Furthermore, a high positive correlation was found between total phenolics in Tamr (r = 0.92) and Blah (r = 0.87) stages and TEAC of fruit methanolic extracts compared to the flavonoids, suggesting that phenolics were the major contributor to the antioxidant activity.