bluuebunny/crossref_metadata_2025_split huggingface dataset:
Early clinical experience with a novel self‐expanding percutaneous stent‐valve in the native right ventricular outflow tract
Authors: Cao Qi‐Ling , Kenny Damien , Zhou Daxin , Pan Wenzhi , Guan Lihua , Ge Junbo , Hijazi Ziyad M. 
Published: May 2014

IntroductionBalloon expandable transcatheter pulmonary valve systems are not applicable to the large majority of patients with chronic severe pulmonary regurgitation (PR) following surgical right ventricular outflow tract (RVOT) rehabilitation. This report describes the clinical use and short‐term follow‐up of a novel transcatheter self‐expanding pulmonary valve system (Venus P Valve) for rehabilitation of the RVOT in patients with chronic severe PR.MethodsPatients with native RVOT and severe PR were selected on a case‐by‐case basis as part of early clinical experience with this valve. Patient demographics and pre‐procedural, intra‐procedural, and follow‐up data were reviewed.ResultsFive patients (four females) with a mean weight of 54.8 ± 11.4 kg were selected for attempted valve deployment. Patients were either NYHA class II (n = 3) or class III (n = 2) at baseline. PR was grade 4 in all cases with mean right ventricular end‐diastolic volumes of 155.0 ± 16.6 ml/m2 on cardiac MRI. Mean minimum “annular” diameter on transthoracic echocardiogram was 22.8 ± 2.5 mm and mean RVOT diameter was 31.8 ± 5.1 mm. Uncomplicated successful valve delivery was achieved in all five cases with a mean fluoroscopy time of 22.8 ± 8.8 min. Valve sizes used were 26 (n = 3), 30 (n = 1), and 32 (n = 1). Mean pulmonary artery diastolic pressure increased from 3 ± 3.7 mm Hg to 9.9 ± 6.9 mm Hg (P = 0.06). On mean follow‐up of 3.4 ± 2.5 months PR grade is 0 (n = 3) or 1 (n = 2) in all cases. NYHA class has improved at least one class in all cases and right ventricular volumes assessed by echocardiography have normalized in all three patients with follow‐up to 3 months.ConclusionsThe Venus P Valve provides excellent short‐term pulmonary valvar function in the native RVOT of patients with surgically induced chronic severe PR. © 2014 Wiley Periodicals, Inc.
Study of the Role of Surface Oxygen Functional Groups on Carbon Nanotubes in the Selective Oxidation of Acrolein
Authors: Zhong Bingwei , Liu Hongyang , Gu Xianmo , Su Dang Sheng 
Published: May 2014

AbstractCarbon nanotubes (CNTs) are promising candidates for metal‐based catalysts in the selective catalytic oxidation of acrolein. It has been proposed that the surface functional groups play an important role in this reaction. We employ the simple calcination and reduction method to selectively remove the oxygen functional groups on the CNT surface. With the assistance of different characterization techniques such as temperature‐programmed desorption and X‐ray photoelectron spectroscopy, epoxy and lactone oxygen groups on the CNT surface are recognized as the active sites for acrolein selective oxidation. Through adjusting the amount of epoxy and lactone groups, a top catalytic performance (51.2 % acrolein conversion and 79.7 % acrylic acid selectivity) is achieved. Our results indicate that CNTs can be selectively functionalized and used as catalysts for the selective oxidation reaction.
Rhodium‐Complex‐Linked Hybrid Biocatalyst: Stereo‐Controlled Phenylacetylene Polymerization within an Engineered Protein Cavity
Authors: Fukumoto Kazuki , Onoda Akira , Mizohata Eiichi , Bocola Marco , Inoue Tsuyoshi , Schwaneberg Ulrich , Hayashi Takashi 
Published: May 2014

AbstractThe front cover artwork for Issue 5/2014 is a collaboration between Osaka Univesrsity (Japan) and RWTH Aachen Univesrity (Germany). The image shows the reengineering of the hybrid biocatalyst for stereocontrolled polymerization. See the Full Paper itself at http://dx.doi.org/10.1002/cctc.201301055.
Room‐Temperature ortho‐Alkoxylation and ‐Halogenation of N‐Tosylbenzamides by Using Palladium(II)‐Catalyzed CH Activation
Authors: Péron Florent , Fossey Christine , Sopkova‐de Oliveira Santos Jana , Cailly Thomas , Fabis Frédéric 
Published: May 2014

AbstractThe N‐tosylcarboxamide group can direct the room‐temperature palladium‐catalyzed CH alkoxylation and halogenation of substituted arenes in a simple and mild procedure. The room‐temperature stoichiometric cyclopalladation of N‐tosylbenzamide was first studied, and the ability of the palladacycle to react with oxidants to form CX and CO bonds under mild conditions was demonstrated. The reaction conditions were then adapted to promote room‐temperature ortho‐alkoxylations and ortho‐halogenations of N‐tosylbenzamides using palladium as catalyst. The scope and limitation of both alkoxylations and halogenations was studied and the subsequent functional transformation of the N‐tosylcarboxamide group through nucleophilic additions was evaluated. This methodology offers a simple and mild route to diversely functionalized arenes.
Formation and Dissolution of Twin ZnO Nanostructures Promoted by Water and Control over Their Emitting Properties
Authors: Distaso Monica , Mačković Mirza , Spiecker Erdmann , Peukert Wolfgang 
Published: May 2014

AbstractBy using ZnO as a model system, the formation of twinned nanostructures has been investigated under microwave irradiation, exploiting experimental conditions ranging from purely solvothermal when N,N‐dimethylformamide was used, to purely hydrothermal when water was the solvent. A progressive increase in size, elongation and roughness of the surface was observed with increasing water content in the solvent mixture. Particular attention was paid to the reactivity of the ZnO surfaces towards dissolution. Our results show that the formation of twinned nanorods is a dynamic process and that the coupling interphase itself is highly reactive. Consequently, the twinned rods undergo a number of complex dissolution processes that are responsible for the appearance of a wide distribution of defects either on the surface or inside the structure. Poly(N‐vinyl pyrrolidone) influences the photoluminescent properties of the as‐synthesised materials and allows control of the ratio of the intensity of the UV and visible emission.
Host Perturbation in a β‐Hydroquinone Clathrate Studied by Combined X‐ray/Neutron Charge‐Density Analysis: Implications for Molecular Inclusion in Supramolecular Entities
Authors: Clausen Henrik F. , Jørgensen Mads R. V. , Cenedese Simone , Schmøkel Mette S. , Christensen Mogens , Chen Yu‐Sheng , Koutsantonis George , Overgaard Jacob , Spackman Mark A. , Iversen Bo B. 
Published: May 2014

AbstractX‐ray/neutron (X/N) diffraction data measured at very low temperature (15 K) in conjunction with ab initio theoretical calculations were used to model the crystal charge density (CD) of the host–guest complex of hydroquinone (HQ) and acetonitrile. Due to pseudosymmetry, information about the ordering of the acetonitrile molecules within the HQ cavities is present only in almost extinct, very weak diffraction data, which cannot be measured with sufficient accuracy even by using the brightest X‐ray and neutron sources available, and the CD model of the guest molecule was ultimately based on theoretical calculations. On the other hand, the CD of the HQ host structure is well determined by the experimental data. The neutron diffraction data provide hydrogen anisotropic thermal parameters and positions, which are important to obtain a reliable CD for this light‐atom‐only crystal. Atomic displacement parameters obtained independently from the X‐ray and neutron diffraction data show excellent agreement with a |ΔU| value of 0.00058 Å2indicating outstanding data quality. The CD and especially the derived electrostatic properties clearly reveal increased polarization of the HQ molecules in the host–guest complex compared with the HQ molecules in the empty HQ apohost crystal structure. It was found that the origin of the increased polarization is inclusion of the acetonitrile molecule, whereas the change in geometry of the HQ host structure following inclusion of the guest has very little effect on the electrostatic potential. The fact that guest inclusion has a profound effect on the electrostatic potential suggests that nonpolarizable force fields may be unsuitable for molecular dynamics simulations of host–guest interaction (e.g., in protein–drug complexes), at least for polar molecules.
Regioselective Hydroarylation Reactions of C3 Electrophilic N‐Acetylindoles Activated by FeCl3: An Entry to 3‐(Hetero)arylindolines
Authors: Beaud Rodolphe , Guillot Régis , Kouklovsky Cyrille , Vincent Guillaume 
Published: May 2014

AbstractA method for the direct and rare umpolung of the 3 position of indoles is reported. The activation of N‐acetylindole with iron(III) chloride allows the CH addition of aromatic and heteroaromatic substrates to the C2C3 double bond of the indole nucleus to generate a quaternary center at C3 and leads regioselectively to 3‐arylindolines. Optimization, scope (50 examples), practicability (gram scale, air atmosphere, room temperature), and mechanistic insights of this process are presented. Synthetic transformations of the indoline products into drug‐like compounds are also described.
Solar Hydrogen from an Aqueous, Noble‐Metal‐Free Hybrid System in a Continuous‐Flow Sampling Reaction System
Authors: Li Xiaobo , Ward Antony J. , Masters Anthony F. , Maschmeyer Thomas 
Published: May 2014

AbstractWe introduce the visible‐light photocatalytic H2 evolution reaction as catalyzed by a cobaloxime/carbon nitride (C3N4) noble‐metal‐free hybrid photosystem by using a continuous‐flow sampling reaction system. The photocatalytic H2 evolution rate is highly dependent on the structure of C3N4, in which porous C3N4 shows the best activity compared with bulk C3N4 (lamellar) and C3N4 nanosheets. When using porous C3N4, the system is neither affected by the solution pH, nor the C3N4 concentration, nor the structure of the cobaloxime complex.
Sulfate‐Selective Recognition by Using Neutral Dipeptide Anion Receptors in Aqueous Solution
Authors: Elmes Robert B. P. , K. Y. Yuen Karen , Jolliffe Katrina A. 
Published: May 2014

AbstractThe synthesis of six small peptide anion receptors based on thiourea and squaramide recognition moieties is described. These new receptors bind to tetrahedral sulfate anions with remarkable affinity and selectivity in aqueous solution as shown by NMR spectroscopy. Molecular modelling suggests that selectivity is mediated by a hydrogen bond network incorporating the amide backbone protons in a manner similar to that found in the sulfate‐binding protein.
Nanoengineering of Stimuli‐Responsive Protein‐Based Biomimetic Protocells as Versatile Drug Delivery Tools
Authors: Zhao Fenfang , Shen Guizhi , Chen Chengjun , Xing Ruirui , Zou Qianli , Ma Guanghui , Yan Xuehai 
Published: May 2014

AbstractWe present a general strategy to nanoengineer protein‐based colloidal spheres (biomimetic protocells) as versatile delivery carriers with stimuli responsiveness by the electrostatic assembly of binary components (proteins and polypeptides) in association with intermolecular disulfide cross‐linking. The size of the colloidal spheres, ranging from nanoscale to microscale, is readily tuned through parameters like protein and polypeptide concentration, the ratio between both, pH, and so on. Moreover, such colloidal spheres show versatile encapsulation of various guest molecules including small organic molecules and biomacromolecules. The pH and redox dual‐responsiveness facilitates the rapid release of the payload in an acidic and reductant‐enriched ambient such as in lysosomes. Thus, nanoengineering of protein‐based biomimetic protocells opens a new alternative avenue for developing delivery vehicles with multifunctional properties towards a range of therapeutic and diagnostic applications.
Probing the Role of Surface Energetics of Electrons and their Accumulation in Photoreduction Processes on TiO2
Authors: Molinari Alessandra , Maldotti Andrea , Amadelli Rossano 
Published: May 2014

AbstractWe address the role of the energetics of photogenerated electrons in the reduction of 4‐nitrobenzaldehyde on TiO2. This model molecule bears two functional groups featuring different reducibilities. Electrochemistry shows that reduction to 4‐aminobenzyl alcohol occurs in entirely distinct potential ranges. Partial reduction of the NO2 group, affording 4‐aminobenzaldehyde, takes place through surface states at potentials positive of the flatband potential (Efb). Dark currents caused by reduction of the aldehyde group are observed only at potentials more negative than Efb, and the process requires an electron accumulation regime. Photocatalysis with TiO2 suspensions agrees with the electrochemical data. In particular, reduction of the nitro group is a relatively fast process (k=0.059 s−1), whereas that of the aldehyde group is slower (k=0.001 s−1) and requires electron photoaccumulation. Control of the photogenerated charge is a prospective means for achieving chemoselective reductions.
Electron Transport of Photoconductive n‐Type Liquid Crystals Based on a Redox‐Active Tetraazanaphthacene Framework
Authors: Isoda Kyosuke , Abe Tomonori , Funahashi Masahiro , Tadokoro Makoto 
Published: May 2014

AbstractThe preparation of two liquid crystals composed of a redox‐active tetraazanaphthacene (TANC) framework is reported. The materials form smectic A (SmA) thin‐film liquid‐crystalline (LC) phases over a wide temperature range. Cyclic voltammetry analysis revealed that LC TANCs behave as organic electron acceptors. The electron mobilities of the thin films were determined by time‐ of‐flight (TOF) measurements, which are the order of 10−4 cm2 V−1 s−1 in the SmA LC phase. This value is two orders of magnitude larger than those of amorphous organic semiconductors. To the best of our knowledge, very few reports exist on the electron‐transporting behaviors of LC N‐heteroacene semiconductors.
Iridium‐Catalyzed Isomerization/Bromination of Allylic Alcohols: Synthesis of α‐Bromocarbonyl Compounds
Authors: Gómez Antonio Bermejo , Erbing Elis , Batuecas María , Vázquez‐Romero Ana , Martín‐Matute Belén 
Published: May 2014

Abstractα‐Brominated ketones and aldehydes, with two adjacent electrophilic carbon atoms, are highly valuable synthetic intermediates in organic synthesis, however, their synthesis from unsymmetrical ketones is very challenging, and current methods suffer from low selectivity. We present a new, reliable, and efficient method for the synthesis of α‐bromocarbonyl compounds in excellent yields and with excellent selectivities. Starting from allylic alcohols as the carbonyl precursors, the combination of a 1,3‐hydrogen shift catalyzed by iridium(III) with an electrophilic bromination gives α‐bromoketones and aldehydes in good to excellent yields. The selectivity of the process is determined by the structure of the starting allylic alcohol; thus, α‐bromoketones formally derived from unsymmetrical ketones can be synthesized in a straightforward and selective manner.
Asymmetric Synthesis of Fortucine and Reassignment of Its Absolute Configuration
Authors: Beaulieu Marc‐André , Ottenwaelder Xavier , Canesi Sylvain 
Published: May 2014

AbstractInvited for the cover of this issue is the group of Sylvain Canesi at the Université du Québec à Montréal and Xavier Ottenwaelder at Concordia University. The image depicts the asymmetric total synthesis of the alkaloid fortucine isolated from the species of plant Fortune Narcissus of­ Amarillydaceaes. Read the full text of the article at 10.1002/chem.201402323.
Biomechanical investigation of thoracolumbar spine in different postures during ejection using a combined finite element and multi‐body approach
Authors: Du Chengfei , Mo Zhongjun , Tian Shan , Wang Lizhen , Fan Jie , Liu Songyang , Fan Yubo 
Published: May 2014

SUMMARYThe aim of this study is to investigate the dynamic response of a multi‐segment model of the thoracolumbar spine and determine how the sitting posture affects the response under the impact of ejection. A nonlinear finite element model of the thoracolumbar‐pelvis complex (T9–S1) was developed and validated. A multi‐body dynamic model of a pilot was also constructed so an ejection seat restraint system could be incorporated into the finite element model. The distribution of trunk mass on each vertebra was also considered in the model. Dynamics analysis showed that ejection impact induced obvious axial compression and anterior flexion of the spine, which may contribute to spinal injuries. Compared with a normal posture, the relaxed posture led to an increase in stress on the cortical wall, endplate, and intradiscal pressure of 43%, 10%, 13%, respectively, and accordingly increased the risk of inducing spinal injuries. Copyright © 2014 John Wiley & Sons, Ltd.
Does Tautomerization of FapyG Influence Its Mutagenicity?
Authors: Jena Nihar R. , Mark Alan E. , Mishra Phool C. 
Published: May 2014

AbstractOxidative degradation of guanine to 2,6‐diamino‐4‐oxo‐5‐formamidopyrimidine (FapyG) is believed to be mutagenic. It has been proposed recently that the enol tautomer of FapyG is mainly responsible for this effect leading to a guanine‐to‐thymine mutation (T. H. Gehrke, U. Lischke, K. L. Gasteiger, S. Schneider, S. Arnold, H. C. Muller, D. S. Stephenson, H. Zipse, T. Carell, Nat. Chem. Biol.­ 2013, 9, 455–461). Here, density functional methods suggest that the enol tautomer of FapyG might not be responsible for the proposed guanine‐to‐thymine mutation. Instead, it might result in a guanine‐to‐adenine mutation.
Catalytic Role of TiO2 Terminal Oxygen Atoms in Liquid‐Phase Photocatalytic Reactions: Oxidation of Aromatic Compounds in Anhydrous Acetonitrile
Authors: Montoya Juan F. , Bahnemann Detlef W. , Peral José , Salvador Pedro 
Published: May 2014

AbstractOn the basis of experiments carried out with controlled amounts of residual oxygen and water, or by using oxygen‐isotope‐labeled Ti18O2 as the photocatalyst, we demonstrate that 18Os atoms behave as real catalytic species in the photo‐oxidation of acetonitrile‐dissolved aromatic compounds such as benzene, phenol, and benzaldehyde with TiO2. The experimental evidence allows a terminal‐oxygen indirect electron‐transfer (TOIET) mechanism to be proposed, which is a new pathway that involves the trapping of free photogenerated valence‐band holes at Os species and their incorporation into the reaction products, with simultaneous generation of oxygen vacancies at the TiO2 surface and their subsequent healing with oxygen atoms from either O2 or H2O molecules that are dissolved in the liquid phase. According to the TOIET mechanism, the TiO2 surface is not considered to remain stable, but is continuously changing in the course of the photocatalytic reaction, challenging earlier interpretations of TiO2 photocatalytic phenomena.
Synergistic Fusion of Vertical Graphene Nanosheets and Carbon Nanotubes for High‐Performance Supercapacitor Electrodes
Authors: Seo Dong Han , Yick Samuel , Han Zhao Jun , Fang Jing Hua , Ostrikov Kostya (Ken) 
Published: May 2014

AbstractGraphene and carbon nanotubes (CNTs) are attractive electrode materials for supercapacitors. However, challenges such as the substrate‐limited growth of CNTs, nanotube bundling in liquid electrolytes, under‐utilized basal planes, and stacking of graphene sheets have so far impeded their widespread application. Here we present a hybrid structure formed by the direct growth of CNTs onto vertical graphene nanosheets (VGNS). VGNS are fabricated by a green plasma‐assisted method to break down and reconstruct a natural precursor into an ordered graphitic structure. The synergistic combination of CNTs and VGNS overcomes the challenges intrinsic to both materials. The resulting VGNS/CNTs hybrids show a high specific capacitance with good cycling stability. The charge storage is based mainly on the non‐Faradaic mechanism. In addition, a series of optimization experiments were conducted to reveal the critical factors that are required to achieve the demonstrated high supercapacitor performance.
Different calcium influx characteristics upon Kv1.3 and IKCa1 potassium channel inhibition in T helper subsets
Authors: Orbán Csaba , Bajnok Anna , Vásárhelyi Barna , Tulassay Tivadar , Toldi Gergely 
Published: May 2014

AbstractFunctional imbalance between T helper subsets plays important role in the pathogenesis of autoimmune disorders. Transient increase of cytoplasmic calcium level, and sustention of negative membrane potential by voltage sensitive Kv1.3 and calcium‐dependent IKCa1 potassium channels are essential for short‐term lymphocyte activation, thus present possible target for selective immunomodulation. We aimed to investigate calcium influx sensitivity to the inhibition of potassium channels in the main T helper subsets. Peripheral blood from 11 healthy individuals was drawn and calcium influx kinetics following activation with phytohemagglutinin in Th1, Th2, Th17, and Treg cells were evaluated. Alteration of calcium influx induced by specific inhibitors of Kv1.3 and IKCa1 potassium channels, and the expression of Kv1.3 channels were also assessed. Highest cytoplasmic calcium concentration was observed in stimulated Th1 cells, while the lowest level was measured in Treg cells. In Th1 and Th17 cells, inhibition of both investigated potassium channels decreased calcium influx. In Th2 cells only the inhibitor of Kv1.3 channels, while in Treg cells none of the inhibitors had significant effect. Upon the inhibition of IKCa1 channels, short‐term activation of proinflammatory cells was specifically decreased without affecting anti‐inflammatory subsets, indicating that selective immunomodulation is possible in healthy individuals. © 2014 International Society for Advancement of Cytometry
Peripheral Synergism between Tramadol and Ibuprofen in the Formalin Test
Authors: Chavarria‐Bolaños Daniel , Perez‐Urizar José , Grandfils Christian , Pozos‐Guillén Amaury 
Published: May 2014

Abstract

Preclinical Research

Analgesics with different mechanisms of action can be combined in order to obtain pharmacological synergism, employing lower doses of each agent, thus diminishing side effects. For instance, an atypical dual analgesic such as tramadol (TMD) and a nonsteroidal anti‐inflammatory drug such as ibuprofen (IBU) are good candidates to be evaluated when combined and applied peripherally. The present study was conducted to evaluate possible local synergism between TMD and IBU when combined peripherally using the formalin test in rats. The effects of the individual analgesics and their combinations were evaluated simultaneously using a 5% formalin dilution. Dose–effect curves were determined for TMD (50–400 μg/paw) and IBU (1–100 μg/paw). Experimental effective doses were evaluated and isobolographic analyses were constructed to evaluate TMD‐IBU combination synergism. Both drugs produced a dose‐dependent analgesic effect when applied separately. Isobolographic analysis showed synergism during phase 1 (0–10 min) and phase 2 (15–60 min) when compared with theoretical doses (P < 0.05), with interaction indexes of 0.06 and 0.09, respectively. The present information supports the peripheral analgesic effect of TMD and IBU, especially when combined at appropriate doses.