bluuebunny/crossref_metadata_2025_split huggingface dataset:
AcrySof IQ Toric IOL Implantation Combined With Limbal Relaxing Incision During Cataract Surgery for Eyes With Astigmatism >2.50 D
Authors: Ouchi Masayuki , Kinoshita Shigeru 
Published: September 2011

PURPOSE:
To evaluate the effectiveness of toric intraocular lens (IOL) implantation combined with limbal relaxing incision (LRI) for patients with high-amplitude astigmatism.

METHODS:
This single-center, prospective study evaluated 22 eyes of 19 patients with cataract and >2.50 diopters (D) astigmatism that underwent bimanual micro-phacoemulsification cataract surgery and toric IOL implantation combined with LRI. Pre- and 6-month postoperative uncorrected and corrected distance visual acuity (UDVA and CDVA, respectively), subjective cylindrical error, refractive cylindrical error, keratometric cylinder, and corneal topography were compared. Vector analysis of change in keratometric cylinder was compared pre- and postoperatively.

RESULTS:
Pre- and postoperative logMAR UDVA were 0.82±0.46 and 0.13±0.19, respectively; pre- and postoperative logMAR CDVA were 0.35±0.39 and 0.005±0.13, respectively. Mean postoperative refractive cylindrical error was 1.07±0.60 D. Although predicted residual astigmatism after implantation of the toric IOL was 1.42±0.76 D, pre- and postoperative subjective cylindrical error and keratometric cylinder changed from 3.90 D to 0.94 D and from 3.46 D to 1.80 D, respectively.

CONCLUSIONS:
Our results show that the combined surgery of toric IOL implantation and LRI is effective in patients with high-amplitude astigmatism >2.50 D.
Higher-Order Compact Scheme for the Incompressible Navier-Stokes Equations in Spherical Geometry
Authors: Sekhar T. V. S. , Raju B. Hema Sundar , Sanyasiraju Y. V. S. S. 
Published: September 2011

AbstractA higher-order compact scheme on the nine point 2-D stencil is developed for the steady stream-function vorticity form of the incompressible Navier-Stokes (N-S) equations in spherical polar coordinates, which was used earlier only for the cartesian and cylindrical geometries. The steady, incompressible, viscous and axially symmetric flow past a sphere is used as a model problem. The non-linearity in the N-S equations is handled in a comprehensive manner avoiding complications in calculations. The scheme is combined with the multigrid method to enhance the convergence rate. The solutions are obtained over a non-uniform grid generated using the transformationr=e?while maintaining a uniform grid in the computational plane. The superiority of the higher order compact scheme is clearly illustrated in comparison with upwind scheme and defect correction technique at high Reynolds numbers by taking a large domain. This is a pioneering effort, because for the first time, the fourth order accurate solutions for the problem of viscous flow past a sphere are presented here. The drag coefficient and surface pressures are calculated and compared with available experimental and theoretical results. It is observed that these values simulated over coarser grids using the present scheme are more accurate when compared to other conventional schemes. It has also been observed that the flow separation initially occurred atRe= 21.
Multiscale Hemodynamics Using GPU Clusters
Authors: Bisson Mauro , Bernaschi Massimo , Melchionna Simone , Succi Sauro , Kaxiras Efthimios 
Published: September 2011

AbstractThe parallel implementation of MUPHY, a concurrent multiscale code for large-scale hemodynamic simulations in anatomically realistic geometries, for multi-GPU platforms is presented. Performance tests show excellent results, with a nearly linear parallel speed-up on up to 32GPUs and a more than tenfold GPU/CPU acceleration, all across the range of GPUs. The basic MUPHY scheme combines a hydrokinetic (Lattice Boltzmann) representation of the blood plasma, with a Particle Dynamics treatment of suspended biological bodies, such as red blood cells. To the best of our knowledge, this represents the first effort in the direction of laying down general design principles for multiscale/physics parallel Particle Dynamics applications in non-ideal geometries. This configures the present multi-GPU version of MUPHY as one of the first examples of a high-performance parallel code for multiscale/physics biofluidic applications in realistically complex geometries.
Down the Rabbit Hole of Reality: Abbas Kiarostami’s Certified Copy
Authors: McMurray Anna Maria 
Published: September 2011

This article discusses how Iranian director Abbas Kiarostami’s 2010 film Certified Copy treats themes of originality, experience, perception, and memory. The main character’s thesis about art—that copies are not merely inferior versions of originals—is applied to everyday experience of love, life and human relationships. While the film seems to privilege the subjectivity of experience and reinforces the idea that value is found in individual interpretation rather than any one true or original meaning, it ultimately asks more questions than it answers, and while it sets out on a quest for truth, it, in the end, places responsibility on the audience to fill in the blanks and make meaning for themselves.
Dielectrophoretic Characterisation of Mammalian Cells above 100 MHz
Authors: Chung Colin , Waterfall Martin , Pells Steve , Menachery Anoop , Smith Stewart , Pethig Ronald 
Published: September 2011

Abstract
Dielectrophoresis (DEP) is a label-free technique for the characterization and manipulation of biological particles - such as cells, bacteria and viruses. Many studies have focused on the DEP cross-over frequency f
xo1, where cells in a non-uniform electric field undergo a transition from negative to positive DEP. Determination of f
xo1 provides a value for the membrane capacitance from the cell diameter, the means to monitor changes in cell morphology and viability, and the information required when devising DEP cell separation protocols. In this paper we describe the first systematic measurements of the second DEP cross-over frequency f
xo2 that occurs at much higher frequencies. Theory indicates that f
xo2 is sensitive to the internal dielectric properties of a cell, and our experiments on murine myeloma cells reveal that these properties exhibit temporal changes that are sensitive to both the osmolality and temperature of the cell suspending medium.
Using the Saccharomyces Genome Database (SGD) for Analysis of Genomic Information
Authors: Skrzypek Marek S. , Hirschman Jodi 
Published: September 2011

AbstractAnalysis of genomic data requires access to software tools that place the sequence‐derived information in the context of biology. The Saccharomyces Genome Database (SGD) integrates functional information about budding yeast genes and their products with a set of analysis tools that facilitate exploring their biological details. This unit describes how the various types of functional data available at SGD can be searched, retrieved, and analyzed. Starting with the guided tour of the SGD Home page and Locus Summary page, this unit highlights how to retrieve data using YeastMine, how to visualize genomic information with GBrowse, how to explore gene expression patterns with SPELL, and how to use Gene Ontology tools to characterize large‐scale datasets. Curr. Protoc. Bioinform. 35:1.20.1‐1.20.23. © 2011 by John Wiley & Sons, Inc.
Synthesis and Reactions of N‐Heterocyclic Carbene Boranes
Authors: Curran Dennis P. , Solovyev Andrey , Makhlouf Brahmi Malika , Fensterbank Louis , Malacria Max , Lacôte Emmanuel 
Published: September 2011

AbstractBoranes are widely used Lewis acids and N‐heterocyclic carbenes (NHCs) are popular Lewis bases, so it is remarkable how little was known about their derived complexes until recently. NHC‐boranes are typically readily accessible and many are so stable that they can be treated like organic compounds rather than complexes. They do not exhibit “borane chemistry”, but instead are proving to have a rich chemistry of their own as reactants, as reagents, as initiators, and as catalysts. They have significant potential for use in organic synthesis and in polymer chemistry. They can be used to easily make unusual complexes with a broad spectrum of functional groups not usually seen in organoboron chemistry. Many of their reactions occur through new classes of reactive intermediates including borenium cations, boryl radicals, and even boryl anions. This Review provides comprehensive coverage of the synthesis, characterization, and reactions of NHC‐boranes.
S,N‐Chelated organotin(IV) compounds containing 6‐phenylpyridazine‐3‐thiolate ligand—structural, antibacterial and antifungal study
Authors: Ozerianskyi Andrii , Švec Petr , Vaňkátová Hana , Vejsová Marcela , Česlová Lenka , Padělková Zdeňka , Růžička Aleš , Holeček Jaroslav 
Published: September 2011

AbstractA series of tri‐ and diorganotin(IV) compounds containing potentially chelating S,N‐ligand(s) (LSN, where LSN is 6‐phenylpyridazine‐3‐thiolate) were prepared and structurally characterized by multinuclear NMR spectroscopy. X‐ray diffraction techniques were used for determination of the structure of compounds containing one [(LSN)Ph2SnCl], two [(n‐Bu)2Sn(LSN)2] and the combination of two LSN and one LCN [(LCN)(n‐Bu)Sn(LSN)2] (where LCN is {2‐[(CH3)2NCH2]C6H4}‐) ligands. The coordination number of the tin atom varies from five to seven and is dependent on the number of chelating ligands present. The formation of the five‐membered azastanna heterocycle is favored over the formation of four‐membered azastannathia heterocycle in compounds containing both types of ligands. The di‐n‐butyl‐substituted compounds are the most efficient ones in inhibition of growth of yeasts, molds and G+ bacteria strains. Copyright © 2011 John Wiley & Sons, Ltd.
Synthesis and characterization of biologically active new Schiff bases containing 3‐functionalized 1,2,4‐triazoles and their zinc(II) complexes: crystal structure of 4‐bromo‐2‐[(E)‐(1H‐1,2,4‐triazol‐3‐ylimino)‐ methyl]phenol
Authors: Chohan Zahid H. , Hanif M. 
Published: September 2011

AbstractBiologically active triazole Schiff bases (L1L3) derived from the reaction of 3‐amino‐1,2,4‐triazole with chloro‐, bromo‐ and nitro‐ substituted salicylaldehydes and their Zn(II) complexes (1–3) have been synthesized and characterized by their physical, spectral and analytical data. Triazole Schiff bases potentially act as tridentate ligands and coordinate with the Zn(II) metal atom through salicylidene‐O, azomethine‐N and triazole‐N. The complexes have the general formula [M(L‐H)2], where M = zinc(II) and L = (L1–L3), and observe an octahedral geometry. The Schiff bases and their Zn(II) complexes have been screened for in‐vitro antibacterial, antifungal and brine shrimp bioassay. The biological activity data show the Zn(II) complexes to be more potent antibacterial and antifungal than the parent simple Schiff bases. Copyright © 2011 John Wiley & Sons, Ltd.
The synthesis, crystal structures and antimicrobial studies of C‐methyl‐substituted hexaaza macrocycle of Cu(II) having aromatic pendant arm
Authors: Husain Ahmad , Nami Shahab A. A. , Siddiqi K. S. 
Published: September 2011

AbstractCu(II) complexes of 14‐membered hexaaza macrocyclic ligand with C‐methyl substituent of the type [CuL](X)2 (where L = 3,10‐bisbenzyl‐6,13‐dimethyl‐1,3,5,8,10,12‐hexaazacyclotetradecane, and X = ClO4−, PF6−) were synthesized by tandem reaction. They were characterized by spectral and single‐crystal X‐ray diffraction techniques. The complexes show distorted octahedral geometry and the counter ions are weakly coordinated to the metal ion at the axial positions. The macrocyclic ring adopts the trans‐III configuration with six‐ and five‐membered chelate rings in chair and gauche conformation, respectively. It was observed that in the solid state the arrangement of the coordination sphere is distorted octahedral whereas, in solution, a square‐planar structure is predominant. The molar conductance of the complexes indicates that the axially bonded anions are almost dissociated in acetonitrile solution. The Electron Paramagnetic Resonance (EPR) spectrum of complex 1 is axial and consistent with a dx2 − y2 ground state. The [CuL](ClO4)2 was found to be active against the tested microorganism. Copyright © 2011 John Wiley & Sons, Ltd.
Computational approach on architecture and tailoring of organic metal complexes derived from streptomycin and Zn, Cd and Pb: antimicrobial effectiveness
Authors: Rajiv Kumar , Rajni Johar 
Published: September 2011

AbstractStreptomycin has been used to derive organic metal complexes (OMCs) after metallation with ZnCl2, CdCl2 and PbCl2 and characterized by elemental analysis, electronic and vibrational spectroscopy, 1H and 13C NMR, mass spectroscopy (time‐of‐flight MS), magnetic measurement, thermal decomposition analysis (TGA, DTA), molecular modeling and X‐ray powder diffraction. OMCs are monomeric. Crystal system, lattice parameters, unit cell, particle size and volume of crystalline OMCs have been determined using X‐ray powder diffraction pattern analysis. The geometries of complexes were optimized on the basis of molecular modeling. Kinetic parameters were computed from thermal analysis, confirming first‐order kinetics. Molecular models have been optimized by MM2 calculations. Architecture and tailoring of the rationally designed and synthesized supramolecular models having covalent bonded oxygen or other molecular contacts extended through Huckel Charge Distribution in highest occupied molecular orbit (HOMO). Antimicrobial effectiveness of OMCs has been reported. Copyright © 2011 John Wiley & Sons, Ltd.
Evolution of the chemical and morphological changes of HDPE when subjected to digestion in a strong acid medium
Authors: Avalos‐Belmontes F. , Ortiz‐Cisneros J.C. , Zapata‐Gonzalez I. , Sánchez‐Valdes S. , Ramos‐deValle L. F. 
Published: September 2011

AbstractHigh‐density polyethylene (HDPE) is the polymer most used for geomembranes, and one of the tests to determine its applicability is its long term resistance to oxidation. In this sense, this work focuses on the study of the chemical and morphological changes that PE films may experiment when subjected to digestion in nitric acid, simulating the severe ambient conditions of a landfill. The effect of digestion of HDPE, on its chemical and morphological structure, was evaluated. It was observed that the molecular weight of HDPE decreases, forming acid and nitro groups, as the time of digestion increases. Also, the oxidative degradation first produced a bimodal MW distribution, but as the time of strong acid treatment increases, a trimodal MW distribution appears, at lower molecular weights. Finally, as time of digestion continued, a bimodal MW distribution appears again, but at much lower molecular weights. The crystal size of the treated HDPE is directly related to the HDPE molecular weight, that is, as time of digestion increases, the molecular weight decreases and the crystal size decreases. In addition, the heterogeneity of molecular weights, such as bimodal and trimodal distributions, and the presence of chemical groups other than the normal CH2 strings of pure PE produced defects in the unit cell parameters a and b. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Rheological characteristics and morphologies of styrene–butadiene–maleic anhydride block copolymers
Authors: Wang Wanjie , Li Chunhui , Cao Yanxia , Chen Jinzhou , Wang Jingwu 
Published: September 2011

AbstractStudies on the morphologies and rheological characteristics of two styrene–butadiene–maleic anhydride block copolymers (SBMa) have been performed. The transmission electron microscopy micrographs show that the morphologies of SBMa change from matrix–island structure to co‐continuous structure. Curves for dynamic modulus varied with frequency (ω) show obvious solid‐like behavior in the low ω region, which is typical for ordered block copolymers or networked materials. Van Gurp–Palmen plots have been used to exploit the thermorheological complexity of two copolymers. The master curves of two copolymers have been acquired through time–temperature superposition principle, and the plateau modulus (G) have been obtained from G′ at ω, where the loss tangent (tan δ) approaches a minimum. Meanwhile, Williams–Landel–Ferry equation has been used to evaluate the free volume parameters. The relaxation time spectra of two copolymers have been calculated and fitted with modified Baumgaertel–Schausberger–Winter model. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Preparation and characterization of silica/polypyrrole core‐shell colloidal particles in the presence of ethanol as the cosolvent
Authors: Sun Libo , Shi Yuanchang , Chu Linya , Wang Ying , Zhang Liyong , Liu Jiurong 
Published: September 2011

AbstractThe silica/polypyrrole core‐shell composites were fabricated by in situ chemical polymerization of pyrrole monomer on the surface of the silica spheres. Silica sol particles with narrow size distributions were prepared by hydrolysis of tetraethoxysilane with sol–gel method. Polypyrrole shell was obtained by chemical polymerization of pyrrole monomer on the surface of the silica spheres in the water–ethanol mixture. It can be seen from the experiment, with the adding of small amount of ethanol cosolvent to the aqueous reaction solution, a uniform coating of polypyrrole appeared on the surface of silica. The core‐shell morphology of composite particles prepared with variation ethanol adding amount was analyzed by TEM. Meanwhile, the conductivity of the core‐shell composite is found to be enhanced apparently compared with those prepared from pure aqueous system. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Influence of acetated‐based and bromo‐based ionic liquids treatment on wool dyeing with acid blue 7
Authors: Wang Nanfang , Jian Yulin , Liu Suqin , Liu Younian , Huang Kelong 
Published: September 2011

AbstractBromo‐based and acetated‐based ionic liquids (ILs), 1‐butyle‐3‐methylimidazolium bromo ([Bmim]Br), 1‐ethyl‐3‐mthylimidazolium bromo ([Emim]Br), 1‐butyle‐3‐methylimidazolium acetate ([Bmim]Ac), and 1‐ethyl‐3‐mthylimidazolium acetate ([Emim]Ac), were synthesized and employed for wool surface treatment. Scanning electron microscope results indicated that the wool surfaces treated with acetated‐based ILs were eroded more than those treated with bromo‐based ILs. Comparable studies showed that the wool samples treated with acetate‐based ILs, especially [Emim]Ac, had higher initial dyeing rate and equilibrium exhaustion than those with bromo‐based ILs. Along with treatment temperature and time increasing, acetate‐based ILs had more remarkable effects on mechanical and dyeing properties of the wool samples than bromo‐based ILs. The wool samples treated with [Emim]Ac at 60°C for 10 min had excellent low‐temperature dyeing properties. The color depth (K/S) investigations showed that the wool samples treated with acetate‐based ILs possessed darker color depth than those treated with the bromo‐based ILs. Color fastnesses of the wool samples treated with [Bmim]Br, [Emim]Br and [Bmim]Ac exhibited the same grades as the untreated sample, while wet color fastnesses of [Emim]Ac treated sample were slightly decreased. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Synthesis and properties of a new red luminescence europium complex containing a 2‐(benzimidazol‐2‐yl)‐8‐octyloxyquinoline as the second ligand
Authors: Li Shanji 
Published: September 2011

ABSTRACTA new Eu(III) complex, Eu(III)(DBM)3BIOQ, has been synthesized with dibenzoylmethane (DBM) as the first ligand and 2‐(benzimidazol‐2‐yl)‐8‐octyloxyquinoline (BIOQ) as the second ligand. The stability of the complex was analysed by DSC–TG. The results show that the Eu(III) complex has a relatively high thermal stability with a melting point of 235 °C and a decomposition temperature (onset) of 252 °C. The fluorescence properties of the compound were also investigated. The fluorescence results reveal that the as‐prepared complex shows the characteristic maximum emission spectra of Eu(III) at 611 nm (λex = 350 nm). In addition, the photoluminescence spectrum of the complex in the solid state exhibits a single and symmetrical emission band at 611 nm, with a full width at half‐maximum of 4.7 nm, showing high colour purity. This finding indicates the possibility for the development of brighter red luminescent materials. Copyright © 2011 John Wiley & Sons, Ltd.
The “Missing Link”: The Gas‐Phase Generation of Platinum–Methylidyne Clusters PtnCH+ (n=1, 2) and Their Reactions with Hydrocarbons and Ammonia
Authors: Butschke Burkhard , Schwarz Helmut 
Published: September 2011

AbstractElectrospray ionization (ESI) of tetrameric platinum(II) acetate, [Pt4(CH3COO)8], in methanol generates the formal platinum(III) dimeric cation [Pt2(CH3COO)3(CH2COO)(MeOH)2]+, which, upon harsher ionization conditions, sequentially loses the two methanol ligands, CO2, and CH2COO to form the platinum(II) dimer [Pt2(CH3COO)2(CH3)]+. Next, intramolecular sequential double hydrogen‐atom transfer from the methyl group concomitant with the elimination of two acetic acid molecules produces Pt2CH+ from which, upon even harsher conditions, PtCH+ is eventually generated. This degradation sequence is supported by collision‐induced dissociation (CID) experiments, extensive isotope‐labeling studies, and DFT calculations. Both PtCH+ and Pt2CH+ react under thermal conditions with the hydrocarbons C2Hn (n=2, 4, 6) and C3Hn (n=6, 8). While, in ion–molecule reactions of PtCH+ with C2 hydrocarbons, the relative rates decrease with increasing n, the opposite trend holds true for Pt2CH+. The Pt2CH+ cluster only sluggishly reacts with C2H2, but with C2H4 and C2H6 dihydrogen loss dominates. The reactions with the latter two substrates were preceded by a complete exchange of all of the hydrogen atoms present in the adduct complex. The PtCH+ ion is much less selective. In the reactions with C2H2 and C2H4, elimination of H2 occurs; however, CH4 formation prevails in the decomposition of the adduct complex that is formed with C2H6. In the reaction with C2H2, in addition to H2 loss, C3H3+ is produced, and this process formally corresponds to the transfer of the cationic methylidyne unit CH+ to C2H2, accompanied by the release of neutral Pt. In the ion–molecule reactions with the C3 hydrocarbons C3H6 and C3H8, dihydrogen loss occurs with high selectivity for Pt2CH+, but in the reactions of these substrates with PtCH+ several reaction routes compete. Finally, in the ion–molecule reactions with ammonia, both platinum complexes give rise to proton transfer to produce NH4+; however, only the encounter complex generated with PtCH+ undergoes efficient dehydrogenation of the substrate, and the rather minor formation of CNH4+ indicates that CN bond coupling is inefficient.
Electrical and mechanical anharmonicities from NIR‐VCD spectra of compounds exhibiting axial and planar chirality: The cases of (S)‐2,3‐pentadiene and methyl‐d3 (R)‐ and (S)‐[2.2]paracyclophane‐4‐carboxylate
Authors: Abbate Sergio , Longhi Giovanna , Gangemi Fabrizio , Gangemi Roberto , Superchi Stefano , Caporusso Anna Maria , Ruzziconi Renzo 
Published: September 2011

AbstractThe IR and Near infrared (NIR) vibrational circular dichroism (VCD) spectra of molecules endowed with noncentral chirality have been investigated. Data for fundamental, first, and second overtone regions of (S)‐2,3‐pentadiene, exhibiting axial chirality, and methyl‐d3 (R)‐ and (S)‐[2.2]paracyclophane‐4‐carboxylate, exhibiting planar chirality have been measured and analyzed. The analysis of NIR and IR VCD spectra was based on the local‐mode model and the use of density functional theory (DFT), providing mechanical and electrical anharmonic terms for all CH‐bonds. The comparison of experimental and calculated spectra is satisfactory and allows one to monitor fine details in the asymmetric charge distribution in the molecules: these details consist in the harmonic frequencies, in the principal anharmonicity constants, in both the atomic polar and axial tensors and in their first and second derivatives with respect to the CH‐stretching coordinates. Chirality, 2011. © 2011 Wiley© Liss, Inc.