bluuebunny/crossref_metadata_2025_split huggingface dataset:
First‐in‐man case report of the use of an Edwards‐Sapien valve to treat a regurgitant CoreValve aortic valve prosthesis
Authors: Taramasso Maurizio , Sharp Andrew S.P. , Maisano Francesco 
Published: June 2009

AbstractTranscatheter aortic valve implantation is an alternative to conventional aortic valve replacement for patients at high surgical risk, with favorable procedural outcomes. Aortic regurgitation remains an off‐label indication. Recent case reports describe the successful use of a second CoreValve inside a malpositioned first CoreValve. In the current case, we report for the first time a valve‐in‐valve procedure for the treatment of a severely insufficient CoreValve prosthesis using the Edwards‐Sapien prosthesis. © 2009 Wiley‐Liss, Inc.
Antithrombotic strategies in patients on oral anticoagulant therapy undergoing percutaneous coronary intervention: A proposed algorithm based on individual risk stratification
Authors: Patti Giuseppe , Di Sciascio Germano 
Published: June 2009

AbstractAn increasing number of patients on chronic oral anticoagulant therapy undergo percutaneous coronary intervention. There is a lack of evidence‐based data and no practice guidelines are available about the optimal antithrombotic treatment of such patients after the procedure; thus, the adopted strategies are highly variable and are often left to the discretion of the attending physician. In this article, we review current evidence and propose an algorithm of antithrombotic strategies tailored to the individual patient, which takes into account the relative risks of bleeding, ischemic complications, and thromboembolism.© 2009 Wiley‐Liss, Inc.
Theoretical Study of the Stability of the DNA Duplexes Modified by a Series of Hydrophobic Base Analogues
Authors: Zendlová Lucie , Řeha David , Hocek Michal , Hobza Pavel 
Published: June 2009

AbstractThe geometries of a 13 mer of a DNA double helix (5′‐GCGTACACATGCG‐3′) were determined by molecular dynamics simulations using a Cornell et al. empirical force field. The bases in the central base pair (shown in bold) were replaced (one or both) by a series of hydrophobic base analogues (phenyl, biphenyl, phenylnaphathalene, phenylanthracene and phenylphenanthrene). Due to the large fluctuations of the systems, an average geometry could not be determined. The interaction energies of the Model A, which consisted of three central steps of a duplex without a sugar phosphate backbone, taken from molecular dynamics simulations (geometry sampled every 1 ps), were calculated by the self‐consistent charge density functional based tight‐binding (SCC‐DFTB‐D) method and were subsequently averaged. The higher the stability of the systems the higher the aromaticity of the base analogues. To estimate the desolvation energy of the duplex, the COSMO continuum solvent model was used and the calculations were provided on a larger model, Model B (the three central steps of the duplex with a sugar phosphate backbone neutralised by H atoms), taken from molecular dynamics simulations (geometry sampled every 200 ps) and subsequently averaged. The selectivity of the base analogue pairs was ascertained (Model B) by including the desolvation energy and the interaction energy of both strands, as determined by the SCC‐DFTB‐D method. The highest selectivity was found for a phenylphenanthrene. Replacing the nucleic acid bases with a base analogue leads to structural changes of the central pair. Only with the smallest base analogues (phenyl) does the central base pair stay planar. When passing to larger base analogues the central base pair is usually stacked.
Fifty Years of Chemical Research at Farmitalia
Authors: Arcamone Federico‐Maria 
Published: June 2009

AbstractThis review contains a brief description of the chemistry developed in Farmitalia and, after 1978, Farmitalia–Carlo Erba Research Laboratories, during the second half of the last century. It gives an overview of work that represents a significant part of the chemistry carried out in Italy during this period in the field of medicinal and natural product chemistry. This is particularly true when we consider in addition to the work done intramurally in the said laboratories, the work done by academic scientists in the frame of the various extramural collaborations. Only a fraction of the chemical research actually carried out is reported here as time and space dictated a selection. Subjects typically associated with Farmitalia and which gave rise to important scientific or therapeutic outcomes are given preference in this review.
Reliable Synthesis of Various Nucleoside Diphosphate Glycopyranoses
Authors: Wolf Saskia , Zismann Tanja , Lunau Nathalie , Meier Chris 
Published: June 2009

AbstractA reliable and high yielding synthetic pathway for the synthesis of the biologically highly important class of nucleoside diphosphate sugars (NDP‐sugars) was developed by using various cycloSal‐nucleotides 1 and 9 as active ester building blocks. The reaction with anomerically pure pyranosyl‐1‐phosphates 2 led to the target NDP‐sugars 20–45 in a nucleophilic displacement reaction, which cleaves the cycloSal moiety in anomerically pure forms. As nucleosides cytidine, uridine, thymidine, adenosine, 2′‐deoxy‐guanosine and 2′,3′‐dideoxy‐2′,3′‐didehydrothymidine were used while the phosphates of D‐glucose, D‐galactose, D‐mannose, D‐NAc‐glucosamine, D‐NAc‐galactosamine, D‐fucose, L‐fucose as well as 6‐deoxy‐D‐gulose were introduced.
The Role of Building‐Block Metrics in the Halogen‐Bonding‐Driven Self‐Assembly of Calixarenes, Inorganic Salts and Diiodoperfluoroalkanes
Authors: Casnati Alessandro , Cavallo Gabriella , Metrangolo Pierangelo , Resnati Giuseppe , Ugozzoli Franco , Ungaro Rocco 
Published: June 2009

AbstractHalogen bonding effectively co‐operates with ion–ion interactions in determining the supramolecular structure of three‐component heteromeric crystals comprising of calix[4]arenes, inorganic salts and diiodoperfluoroalkanes. The subtle interplay between these two types of interactions, as well as the influence of the valence of the metal ion, the “size” of the calixarene platform and the length of the perfluorocarbon module on the stoichiometry and overall supramolecular organisation of the ternary supramolecular architectures is discussed. The relevance to the overall packing of the size matching between the pitches along the cationic and anionic sub‐lattices is also discussed.
Supramolecular Chemistry at Interfaces: Molecular Recognition on Nanopatterned Porous Surfaces
Authors: Bonifazi Davide , Mohnani Stefan , Llanes‐Pallas Anna 
Published: June 2009

AbstractThrough the illustration of key examples that have recently appeared in the literature, the intention of this review is to provide a perspective of current advances on the molecular recognition at the interfaces aimed at the engineering of multifunctional organic‐based materials. The great interest in such systems has been motivated by the need to fabricate smaller and smaller components in order to improve, for example, the information storage capabilities of classical silicon‐based devices. Although great progress has been achieved on the exploitation of “top‐down” approaches, strong hope is now put on the development of hybrid devices in which the elementary components are replaced with single organic molecules. Nevertheless, the drive towards such devices is restricted by both their stability and difficulties to precisely control and manipulate the structural organisation at the molecular level. To overcome these restrictions, the use of nanotemplated surfaces featuring porous domains in which responsive functional molecules can be precisely accommodated at the single‐molecule level is one of the most promising approaches. In the first part of this manuscript, we therefore illustrate the main engineering strategies [1) through non‐covalent interactions, 2) surface‐confined covalent reactions and 3) assembly of pre‐organised cavities such as synthetic macrocycles] currently in use to create two‐dimensional (2D) patterned surfaces displaying porous structures at the nanoscale level. Such networks, featuring periodic hollow domains (controllable both in shape and size), are of particular significance as their cavities can be used as receptors for the recognition of remotely controllable functional molecules. In the second part, the confinement of molecular guests within the cavities is discussed, emphasising the selectivity and dynamics of key assemblies, with a particular focus on the biomolecular recognition and post‐assembly covalent functionalisation, which could provide the opportunity to fabricate devices currently beyond our reach on an unprecedented precision and efficiency. All the examples will be discussed in terms of structural organisation as studied by scanning tunnelling microscopy (STM) techniques.
Theoretical Studies on the Isomerizations of CH3NO2
Authors: YANG Lijuan , LI Xiaoyan , ZENG Yanli , MENG Lingpeng , ZHENG Shijun 
Published: June 2009

AbstractThe isomerizations of CH3NO2 (NM) have been investigated by density function theory (DFT) and electron density topological analysis methods. Nine isomers and eight isomerization channels were found. The connection relationship between the transition state (TS) and the isomers was confirmed by intrinsic reaction coordinate (IRC) tracing calculation. The calculation results show that in the CH3NO2→CH3ONOt process, the TS is a tight one (CH3NO2 does not break into CH3 and NO2 throughout the reaction), which is consistent with Arenass' results. A long structure transition region, which contains a four‐numbered ring → a five‐numbered ring → a four‐numbered ring → a five‐numbered ring structure, exists in CH3NOOc→CH2NOOH process. And it is the first time that a five‐numbered ring TS was found in reaction.
Improved QSPR Study of Diamagnetic Susceptibilities for Organic Compounds Using Two Novel Molecular Connectivity Indexes
Authors: MU Lailong , HE Hongmei , YANG Weihua 
Published: June 2009

Abstract For predicting the molar diamagnetic susceptibilities of organic compounds, a variable molecular connectivity index mχ' and its converse index mχ'' based on adjacency matrix of molecular graphs and the variable atomic valence connectivity index δi' were proposed. The optimal values of parameters x, a, and y included in definition of δi', mχ' and mχ'' can be found by an optimization method. When x2.9, a1.10, and y0.36, a good five‐parameter model for the molar diamagnetic susceptibilities can be constructed from 0χ', 1χ', 2χ', 1χ'' and 2χ'' by using the best subset regression analysis method. The correlation coefficient r, standard error s, and average absolute deviation of the multilinear regression (MLR) model are 0.9930, 4.96 cgs, and 3.74 cgs, respectively, for the 721 organic compounds (training set). The cross‐validation by using the leave‐one‐out method demonstrates that the MLR model is highly reliable from the point of view of statistics. The average absolute deviation of predicted values of the molar diamagnetic susceptibility of another 360 organic compounds (test set) is 4.37 cgs for the MLR model. The results show that the current method is more effective than literature methods for estimating the molar diamagnetic susceptibility of an organic compound. The MLR method can provide an acceptable model for the prediction of the molar diamagnetic susceptibilities of organic compounds.
DNA‐binding Studies of Daunorubicin in the Presence of Methylene Blue by Spectroscopy and Voltammetry Techniques
Authors: HAJIAN Reza , SHAMS Nafiseh , PARVIN Afsaneh 
Published: June 2009

AbstractThe interaction of daunorubicin with calf thymus DNA has been investigated with the use of methylene blue dye as a spectral probe by the application of UV‐Vis spectrophotometry, spectrofluorometry and voltammetry. The voltammetric behavior of daunorubicin has been investigated at a glassy carbon electrode using cyclic and differential pulse voltammetry. Both UV‐vis spectrophotometry and cyclic voltammetry studies confirmed the intercalation reaction. The results showed that both daunorubicin and methylene blue molecules could intercalate into the double helix of DNA. The apparent binding constant of daunorubicin with DNA has been found to be 7.8 ×104 L·mol−1. The fluorescence signal of daunorubicin and methylene blue was quenched with DNA addition. The Stern‐Volmer equation was plotted based on the quenching fluorescence signal of daunorubicin.
A Simple Method Based on Harcourt‐Esson's Equation to Estimate the Critical Temperature of Thermal Explosion for Energetic Materials Using Non‐isothermal DSC
Authors: ZHAO Fengqi , HU Rongzu , GAO Hongxu 
Published: June 2009

AbstractA method for estimating the critical temperature (Tb) of thermal explosion for energetic materials was derived from Semenov's thermal explosion theory and the non‐isothermal kinetic equation dα/dt=A0Tαf(α) based on Harcourt‐Esson's expression using reasonable hypotheses. The final formula is Tb=αTe0/(α−1), which is simple. The onset temperature (Tei) can be easily obtained from the non‐isothermal DSC curves, the value of Te0 can from the equation Tei=Te0+α1β1+α1βi2+α1βi3, the values of α can from the equation: lnβi=ln[A0/(a+1)G(α)+(a+1)lnTi], and then the value of Tb can be calculated. The result obtained with this method coincides completely with the value of Tb obtained by Zhang‐Hu‐Xie‐Li's method.
Thermodynamic Complexation of Dopamine with Zinc(II) in Media with Different Dielectric Constants
Authors: BAGHERI GH Azar 
Published: June 2009

AbstractThe complexation of zinc(II) with dopamine has been investigated by spectrophotometric measurements in mixed solvent system at an ionic strength of 0.2 mol·dm−3 sodium chloride, at (15±0.1), (25±0.1), (35±0.1)°C in a pH range of ca. 6 to ca. 7 with a high ratio of ligand to metal. The effect of solvent systems on protonation and complexation was discussed. Linear relationships were observed by plotting lg K versus 1/D, where K and D show stability and dielectric constants, respectively.
A Facile Approach to the Synthesis of Gold Nanoshells with Near Infrared Responsive Properties
Authors: LIU Shunying , LIANG Zhongshi , GAO Feng , YU Jiahui , LUO Shufang , CALATA Jesus N. , LU Guoquan 
Published: June 2009

AbstractA very detailed study of the most important parameters that involved in the preparation of gold nanoshells with near infrared (NIR) absorption properties is reported. The importance of this work lies in the deep understanding of how each parameter contributes to the formation of gold nanoshells in terms of size, shell thickness, optical property and particle stability, which have not been emphasized in the literatures. Through detailed characterization by UV‐Vis spectroscopy, dynamic light scattering (DLS) and transmission electron microscopy (TEM) analysis, a facile approach to synthesize nanoshells with optimal optical properties in the NIR region was obtained. The amount of reagents, the ratio and condition of reagents, the reaction time, all played important roles in the formation of stable, narrow‐size distributed gold nanoshells with NIR absorption properties, which have significant applications to photothermal therapy of cancers in biomedical area.
A New Keggin Tungstocobaltate Decorated by Zinc(II) Complex Groups: [Zn(2,2′‐bipy)3]3{[Zn(2,2′‐bipy)2(H2O)]2‐[HCoW12O40]2}·H2O
Authors: WANG Hong , CHENG Cungui , TIAN Yumei 
Published: June 2009

AbstractA new organic‐inorganic hybrid compound based on Keggin tungstocobaltate decorated by zinc(II) coordination groups, [Zn(2,2′‐bipy)3]3{[Zn(2,2′‐bipy)2(H2O)]2[HCoW12O40]2}·H2O (bipy=bipyridine), has been synthesized under hydrothermal conditions and characterized by elemental analyses, IR, TG analyses and X‐ray single crystal diffraction. This compound crystallizes in the orthorhombic system, space group C2/c with a=46.966(9) ?, b=14.358(3) Å, c=26.154(5) Å, α=β=γ=90°, V=17637(6) Å3, and Z=4. The result of structure determination shows that the crystal structure is constructed from a mono‐supporting Keggin tungstocobaltate polyanion {[Zn(2,2′‐bipy)2(H2O)]2[HCoW12O40]2}6−, three [Zn(2,2′‐bipy)3]2+ cations and one water molecule. It is interesting that [Zn(1)(2,2′‐bipy)3]2+ cations are held together into a helix chain through hydrogen‐bonding interactions. Additionally, the compound is stable in air and shows intense photoluminescence at room temperature.
Eletropolymerization of Niacinamide for Fabrication of Electrochemical Sensor: Simultaneous Determination of Dopamine, Uric Acid and Ascorbic Acid
Authors: ZHU Xiaohong , LIN Xiangqin 
Published: June 2009

AbstractTwo polymeric thin film modified electrodes, poly‐niacinamide/glassy carbon electrode (poly‐NA/GCE) and poly‐nicotinic acid/glassy carbon electrode (poly‐NC/GCE), have be fabricated at glassy carbon electrodes by simple electropolymerization of niacinamide (NA) in different potential scan ranges of cyclic voltammetry (CV). These two electrodes all showed catalytic ability towards the oxidation of dopamine (DA), uric acid (UA) and ascorbic acid (AA) by obvious reductions of overpotentials, giving well‐resolved voltammetric peaks, which allow simultaneously determination of DA, UA and AA. The poly‐NC/GCE showed even higher electrocatalytic activity than the poly‐NA/GCE. The electrochemical behavior of poly‐NC/GCE was investigated by CV and differential pulse voltammetry (DPV) for determination of DA, UA and AA. The linear ranges of the concentration for the determination of AA, DA and UA using DPV were 75–3000, 0.37–16 and 0.741–230 mol·L−1, respectively. The slopes of the linear calibration curves for the detection were estimated to be 5.6, 1140 and 102 mA·L·mol−1 for AA, DA and UA, respectively. The poly‐NC/GCE shows excellent sensitivity, good selectivity and antifouling properties.
Heterometal Clusters Ln2Na8(OCH2CH2NMe2)12(OH)2 as Homogeneous Catalysts for the Tishchenko Reaction
Authors: LI Lan , SHENG Hongting , XU Fan , SHEN Qi 
Published: June 2009

AbstractThe heterometal alkoxide clusters of Group 3 metal and lanthanides with sodium Ln2Na8(OCH2CH2NMe2)12(OH)2 (Ln=Y, lanthanide) were found to serve as highly active catalysts for the Tishchenko reaction of various aldehydes to form the corresponding esters. The reaction scope and the influence of lanthanide and sodium metal on the catalytic activity were investigated, and the proposed mechanism of the reaction was discussed.
Asymmetric Synthesis of (R)‐Fluoxetine: A Practical Approach Using Recyclable and in‐situ Generated Oxazaborolidine Catalyst
Authors: PADIYA Kamlesh , GAGARE Pravin , GAGARE Manjiri , LAL Bansi 
Published: June 2009

AbstractA practical route for the synthesis of (R)‐fluoxetine·HCl (ee=96%) in 56% overall yield was described. The key intermediate (R)‐3‐chloro‐1‐phenyl‐1‐propanol was obtained by the asymmetric reduction of prochiral 3‐chloropropiophenone using in‐situ generated oxazaborolidine catalyst derived from (S)‐α,α‐diphenylprolinol. The chiral procatalyst (S)‐α,α‐diphenylprolinol was recovered quantitatively and recycled. An improved practical synthesis of (S)‐α,α‐diphenylprolinol was also discussed.
Synthesis, Characterization and Crystal Structure of Some Novel 1‐(3,5‐Dimethyl‐1H‐pyrazol‐1‐yl)‐3‐(substituted anilino)propan‐1‐ones
Authors: SAEED Aamer , HUSSAIN Shahid , ABBAS Naeem , BOLTE Michael 
Published: June 2009

AbstractMichael addition of some substituted anilines to methyl acrylate in acidic medium afforded the methyl 3‐(substituted anilino)propionates (1a–1i), which on treatment with hydrazine hydrate in methanol were converted into corresponding 3‐(substituted anilino) propionohydrazides (2a–2i) in good yields. Microwave irradiation of the latter with pentane‐2,4‐dione afforded 1‐(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)‐3‐(substituted anilino)propan‐1‐ones (3a–3i) under solventless conditions. The structures were confirmed by spectroscopic data, elemental analyses and in case of the 3h by single crystal X‐ray diffraction data.
Preparation and Characterization of Heat Sensitive Color‐developing Microcapsules
Authors: BA Xinwu , AN Puying , LU Shuang , LIU Guangtian 
Published: June 2009

AbstractHeat sensitive color‐developing polyurethane microcapsules containing leucocompounds were prepared by interfacial polymerization. The effects of three determinative process parameters on the particle size distributions, surface morphologies, and heat sensitive color‐developing behavior of the microcapsules were investigated. As a result, the polyurethane microcapsules with a narrower distribution, rounder shape and better heat sensitive color‐developing property were prepared with increasing of the protective colloid content, emulsifying rate and emulsifier content. This was related with the surface roughness of the microcapsules.
Facile Syntheses of N‐Substituted Imidazoles and Benzotriazoles from Baylis‐Hillman Bromides
Authors: YE Dongyan , LI Jian , LI Chunju , JIA Xueshun 
Published: June 2009

AbstractA facile synthesis of N‐substituted imidazole and benzotriazole derivatives from Baylis‐Hillman bromides with imidazole and benzotriazole at room temperature was reported. In view of the simple operation, mild reaction conditions, good to excellent yields, good regio‐ and stereoselectivity, the present method exhibited its superiority.
Chemical Modification of Poly(epichlorohydrin) Using Montmorillonite Clay
Authors: BEKKAR Fatima , BELBACHIR Mohamed 
Published: June 2009

AbstractCationic ring opening polymerization of epichlorohydrin (1) and acetic anhydride in the presence of Maghnite‐ H (Mag‐H+) as a catalyst afforded, ω‐diacetylated poly(epichlorohydrin) (P1) in a moderate yield and molecular weight without formation of side products and degradation. P1 was chemically modified with morpholine (2), piperidine (3) and pyrrolidine (4) into the corresponding new functional poly(epichlorohydrin)s (P2–P4) in a moderate reaction conversion . The conversion of P1 into P2–P4 was confirmed by using FTIR and NMR spectroscopy and the yield was calculated from the elemental analysis data according to the mole fraction concept. The obtained functional polymers were further characterized by thermal analysis which showed a substantial increase of the glass transition temperature (Tg). Thus, the chemical modification of α,ω‐acetylated PECH using Mag‐H+ offers a simple method for obtaining functional polymers. Mag‐H+ is a montmorillonite sheet silicate clay exchanged with proton.
Synthesis and Fluorescent Properties of Chiral Polymer Complexes Incorporating Bipyridine and Eu(III) or Gd(III)
Authors: ZONG Lili , MIAO Qian , LIU Yan , XU Jinqian , HUANG Xiaobo , CHENG Yixiang 
Published: June 2009

AbstractChiral polymer P‐1 was synthesized by the polymerization of (R)‐5,5′‐dibromo‐6,6'‐di(4‐trifluoromethyl‐ phenyl)‐2,2′‐bisoctoxy‐1,1'‐binaphthyl (R‐M‐1) with 5,5′‐divinyl‐2,2′‐bipyridine (M‐2) via Pd‐catalyzed Heck reaction. The polymer complexes P‐2 and P‐3 could be obtained by the bipyridyl coordination of P‐1 with Eu(TTA)3·2H2O and Gd(TTA)3·2H2O (TTA−=1‐(2‐thenoyl)‐3,3,3‐trifluoroacetonate). The chiral polymer P‐1 shows strong blue fluorescence due to the extended ‐electronic structure between the chiral repeating unit (R)‐6,6'‐di(4‐trifluoromethyl‐phenyl)‐2,2′‐bisoctoxy‐1,1'‐binaphthyl and the conjugated linker 2,2′‐bipyridyl (bpy) group via vinylene bridge. The Eu(III)‐containing polymer complex P‐2 can not only emit the polymer fluorescence, but also have the characteristic fluorescence of Eu(III) (5D0→7F2) under different exciting wavelengths. The Gd(III)‐containing polymer complex P‐3 only emits the polymer fluorescence. Based on the fluorescent properties of the polymer and RE(III)‐containing polymer complexes, it can be concluded that the chiral polymer does not transfer energy to Eu(III) or Gd(III) complex moiety but emits its own fluorescence.