bluuebunny/crossref_metadata_2025_split huggingface dataset:
Novel Coronene–Naphthalene Dimide‐Based Donor–Acceptor Pair for Tunable Charge‐Transfer Nanostructures
Authors: Kumar Mohit , George Subi J. 
Published: July 2014

AbstractCharge‐transfer (CT) assemblies of aromatic donor (D) and acceptor (A) molecules have recently gained attention as a promising material for organic electronics and ferroelectrics. Two major factors which govern their functions are the strength of CT interaction and their supramolecular nanostructuring. Here we present coronene‐naphthalenediimide (NDI)‐based novel D‐A pairs that form alternately stacked CT assemblies. Through systematic substitution of the NDI derivatives and studying their CT interactions with coronene, a clear understanding of the secondary forces responsible for controlling their association is gained. Finally, the use of CT‐based supramolecular amphiphiles for their nanostructural engineering into ordered one‐dimensional (1‐D) assemblies is demonstrated.
Acid–Base‐Responsive Intense Charge‐Transfer Emission in Donor–Acceptor‐Conjugated Fluorophores
Authors: Inouchi Toshifumi , Nakashima Takuya , Kawai Tsuyoshi 
Published: July 2014

AbstractHerein we report on the synthesis and acid‐responsive emission properties of donor–acceptor (D–A) molecules that contain a thienothiophene unit. 2‐Arylthieno[3,2‐b]thiophenes were conjugated with an N‐methylbenzimidazole unit to form acid‐responsive D–A‐type fluorophores. The D–A‐conjugated fluorophores showed intense intramolecular charge‐transfer (ICT) emission in response to acid. The effect of the substitution on their photophysical properties as well as their solvent‐dependence indicated non‐twisting ICT emission in protonated D–A molecules. The quinoidal character of 2‐arylthienothiophene as a donor part is discussed, as it is assumed that it contributes to suppression of the molecular twisting in the excited state, therefore decreasing the nonradiative rate constant, thereby resulting in the intense ICT emission. Acid–base‐sensitive triple‐color emission was also achieved by the introduction of a base‐responsive phenol group in the donor part.
Anal acoustic reflectometry predicts the outcome of percutaneous nerve evaluation for faecal incontinence
Authors: Hornung B R , Carlson G L , Mitchell P J , Klarskov N , Lose G , Telford K J , Kiff E S 
Published: July 2014

Abstract

Background
Sacral nerve stimulation (SNS) is effective for some patients with faecal incontinence. Before insertion of a costly implant, percutaneous nerve evaluation (PNE) is undertaken to identify patients likely to report success from SNS. The aim of this study was to determine whether variables of anal sphincter function measured by anal acoustic reflectometry (AAR) could predict the outcome of PNE for faecal incontinence.

Methods
Women with faecal incontinence undergoing PNE were recruited. AAR, followed by anal manometry, was performed on the day of surgery, immediately before PNE. The outcome of PNE was determined by bowel diary results and incontinence severity score. Patients with a successful PNE outcome were compared with those with an unsuccessful outcome; logistic regression analysis was used to identify any independent predictors of success.

Results
Fifty-two patients were recruited, of whom 32 (62 per cent) had a successful PNE outcome and 20 (38 per cent) an unsuccessful outcome. The AAR variable opening pressure was significantly greater in patients who subsequently had a successful PNE result compared with the pressure in patients who did not (28 versus 17 cmH2O; P = 0·008). No difference was seen in the manometric equivalent, maximum resting pressure. Opening pressure was an independent predictor of success with an odds ratio of 1·08 (95 per cent confidence interval 1·01 to 1·16; P = 0·018).

Conclusion
AAR is a sensitive test of sphincter function and can identify differences between patients who respond to PNE and those who do not. Opening pressure is an independent predictor of success in PNE, and may be of value in the selection of patients for this expensive treatment option.
Chain Length Effect of the Multidentate Block Copolymer Strategy to Stabilize Ultrasmall Fe3O4 Nanoparticles
Authors: Chan Nicky , Li Puzhen , Oh Jung Kwon 
Published: July 2014

AbstractA multidentate block copolymer (MDBC) strategy to stabilize ultrasmall superparamagnetic iron oxide nanoparticles (USNPs) as biocompatible T1‐positive contrast agents for magnetic resonance imaging (MRI) is explored. The MDBC is designed with a poly(methacrylic acid) (PMAA) block having pendant carboxylates as multidentate anchoring groups and a hydrophilic polymethacrylate block having pendant oligo(ethylene oxide) chains (POEOMA). A series of multifunctional MDBCs with different chain lengths of POEOMA and PMAA blocks were synthesized by atom transfer radical polymerization and subsequent hydrolytic cleavage. The resultant aqueous MDBC/USNP colloids fabricated through a ligand‐exchange process were characterized to investigate the effect of chain lengths of POEOMA‐b‐PMAA copolymers on size, morphology, and colloidal stability as well as relaxometric properties and in vitro MRI performance. The results suggest that the optimal design of chain lengths of both anchoring and hydrophilic blocks is required for enhanced colloidal stability under biologically relevant conditions as well as effective T1‐weighted contrast enhancement.
Design and Characterization of Two Bifunctional Cryptophane A‐Based Host Molecules for Xenon Magnetic Resonance Imaging Applications
Authors: Rossella Federica , Rose Honor May , Witte Christopher , Jayapaul Jabadurai , Schröder Leif 
Published: July 2014

AbstractCryptophanes have been shown to be a promising tool in xenon magnetic resonance imaging (MRI) applications. The affinity of xenon for molecular host structures such as cryptophane‐A (CrA) and the large xenon chemical shift that can be detected in the presence of such hosts has motivated the synthesis of a number of cryptophane‐based MRI biosensors. Bifunctional biosensors that incorporate both a fluorophore and a cryptophane moiety are flexible tools for evaluating the intracellular localization and quantifying cellular uptake/binding of such xenon hosts in conjunction with testing their MRI capabilities. In this study, we compare the performance of a new compound that bears tetramethylrhodamine (TAMRA), CrA‐PEG‐TAMRA (PEG=polyethylene glycol), with our previously synthesized compound in which fluorescein (FAM) was the optical reporter. We demonstrate that these biosensors are suitable candidates for MRI‐based cell‐tracking studies; specifically, the new addition of a rhodamine derivative will allow for multiplexing experiments and showed slightly improved NMR spectroscopic behavior. Importantly, both biosensors display equally good cell‐labeling efficiency, which facilitates the acquisition of high‐quality xenon magnetic resonance images in two different cell lines. This study describes a simple synthetic approach for the production of biologically compatible bifunctional compounds. These biosensors can be used as they are for cell labeling but can also serve as building blocks for further functionalization and cryptophane‐based xenon biosensor design with MRI and fluorescence multiplexing options.
Spectroscopic techniques and chemometrics in analysis of blends of extra virgin with refined and mild deodorized olive oils
Authors: Wójcicki Krzysztof , Khmelinskii Igor , Sikorski Marek , Caponio Francesco , Paradiso Vito M. , Summo Carmine , Pasqualone Antonella , Sikorska Ewa 
Published: July 2014

The capability of different spectroscopic techniques in estimation of adulteration of extra virgin olive oil with mild deodorized and refined olive oils was investigated. The visible absorption and ultraviolet–visible fluorescence spectra were distinctly different for oils of different quality grades. Differences in the near‐ and mid‐IR absorption spectra were less pronounced and could only be revealed by principal component analysis. The calibration models for estimation of adulterant oil in the blends obtained using partial least squares (PLS) and principal component regression (PCR) showed similar performance using all of the examined spectroscopic techniques. The simultaneous analysis of combined spectra using concatenated matrix did not improve the calibration results. The prediction parameters for the set of 20 samples were: R2>0.96, the relative error of prediction (REP) was in the range 5.6–12.0%. The RPD (ratio of the SD of reference values to RMSEP) were in the range of 5.1–10.9, indicating that all models were at least suitable for quality control.MIR, NIR, VIS absorption and fluorescence spectra of extra virgin, mild deodorized and refined olive oils were characterized. Multivariate regression analysis of spectra using PCR and PLS methods enabled quantification of adulterant concentration in the blends of extra virgin olive oil with mild deodorized and refined olive oils. The calibration models showed similar performance using all of the examined spectroscopic techniques.
Stripping Analysis of Trace Arsenic Based on the MnOx/AuNPs Composite Film Modified Electrode in Alkaline Media
Authors: Wu Shouguo , Zhao Qiping , Zhou Lei , Zhang Zhixin 
Published: July 2014

AbstractA simple, rapid fabricated and sensitive modified electrode for detection of As(III) in alkaline media was proposed. The modified electrode was prepared by co‐electrodeposition of manganese oxides (MnOx) and gold nanoparticles (AuNPs) on the glassy carbon electrode (GCE) with cyclic voltammetry. Linear sweep anodic stripping voltammetry (LS‐ASV) was employed for the determination of arsenic (III) without interference from Cu(II), Hg(II), and other coexisting metal ions. A lower detection limit of 0.057 µg L−1 (S/N=3) were obtained with a accumulation time of 200 s. The proposed method was successfully applied to determine arsenic (III) in real water samples with satisfactory recoveries.
Role of Solution‐Processable Polyethylenimine Electrode Interlayer in Fabricating Air‐Stable Polymer Light‐Emitting Diodes
Authors: Lin Ming‐Wei , Lin Yu‐Chun , Rauan Asslbekov , Wen Ten‐Chin , Hsu Yao‐Jane , Guo Tzung‐Fang 
Published: July 2014

AbstractThis work investigates the mechanisms for the enhanced injection of electrons from a solution‐processable polyethyleneimine (PEI) interlayer/aluminum (Al), silver (Ag), or gold (Au) electrodes in phenyl‐substituted poly(para‐phenylene vinylene) (PPV) copolymer (SY‐PPV)‐based polymer light‐emitting diodes (PLEDs). The bilayer cathode significantly enhances electron injection and device performance, and is comparable to that of PLEDs using low work function metals, such as calcium (Ca) or lithium fluoride (LiF)/Al as the cathode. The functions of the PEI interlayer are characterized by current densitylight intensityvoltage (JLV) and photovoltaic measurements, X‐ray photoelectron spectroscopy, and ultraviolet photoelectron spectroscopy. The thin PEI film forms a dipole layer to shift the vacuum level of the electroluminescent polymer and decrease the barrier height for electron injection. The existing dipoles are correlated with a large numbers of amino groups in the PEI polymer. As a result, the PLEDs with PEI/Al, PEI/Ag, and PEI/Au bilayer cathodes exhibit markedly enhanced performances. The application of air‐stable metals as the cathode allows flexibility in the design of device cathode structures for real applications.
Valence Bond‐Based Hybrid Quantum Mechanics Molecular Mechanics Approaches and Proper Inclusion of the Effect of the Surroundings
Authors: Shurki Avital , Sharir‐Ivry Avital 
Published: July 2014

AbstractThe pioneering development of multiscale models for complex chemical systems by Karplus, Levitt, and Warshel, including the hybrid quantum mechanics molecular mechanics (QM/MM) approach and its application to enzymes, established a new field in chemistry that allows the modeling of reactivity within complex chemical systems. Inspired by the potential of such methods, many groups developed different QM/MM variants. Valence bond (VB) theory, which always was and still is an important conceptual tool for chemists, is well suited to deal with problems of chemical reactivity. Hence, here we review VB‐based QM/MM methods, including the early semi‐empirical methods that utilize VB concepts and more recent ab initio VB‐based QM/MM methods. Special emphasis is given to the different ways to include effects of the surroundings on the solute. It is shown that within the VB framework, simple mechanical embedding for each diabatic state, followed by mixing of the states, accounts for most of these effects.
A New Utility‐Consistent Econometric Approach to Multivariate Count Data Modeling
Authors: Bhat Chandra R. , Paleti Rajesh , Castro Marisol 
Published: July 2014

SummaryIn the current paper, we propose a new utility‐consistent modeling framework to explicitly link a count data model with an event‐type multinomial‐choice model. The proposed framework uses a multinomial probit kernel for the event‐type choice model and introduces unobserved heterogeneity in both the count and discrete‐choice components. Additionally, this paper establishes important new results regarding the distribution of the maximum of multivariate normally distributed variables, which form the basis to embed the multinomial probit model within a joint modeling system for multivariate count data. The model is applied to analyzing out‐of‐home non‐work episodes pursued by workers, using data from the National Household Travel Survey. Copyright © 2014 John Wiley & Sons, Ltd.
Thermal acclimation and nutritional history affect the oxidation of different classes of exogenous nutrients in Siberian hamsters, Phodopus sungorus
Authors: McCue Marshall D. , Voigt Christian C. , Jefimow Małgorzata , Wojciechowski Michał S. 
Published: July 2014

ABSTRACTDuring acclimatization to winter, changes in morphology and physiology combined with changes in diet may affect how animals use the nutrients they ingest. To study (a) how thermal acclimation and (b) nutritional history affect the rates at which Siberian hamsters (Phodopus sungorus) oxidize different classes of dietary nutrients, we conducted two trials in which we fed hamsters one of three 13C‐labeled compounds, that is, glucose, leucine, or palmitic acid. We predicted that under acute cold stress (3 hr at 2°C) hamsters previously acclimated to cold temperatures (10°C) for 3 weeks would have higher resting metabolic rate (RMR) and would oxidize a greater proportion of dietary fatty acids than animals acclimated to 21°C. We also investigated how chronic nutritional stress affects how hamsters use dietary nutrients. To examine this, hamsters were fed four different diets (control, low protein, low lipid, and low‐glycemic index) for 2 weeks. During cold challenges, hamsters previously acclimated to cold exhibited higher thermal conductance and RMR, and also oxidized more exogenous palmitic acid during the postprandial phase than animals acclimated to 21°C. In the nutritional stress trial, hamsters fed the low protein diet oxidized more exogenous glucose, but not more exogenous palmitic acid than the control group. The use of 13C‐labeled metabolic tracers combined with breath testing demonstrated that both thermal and nutritional history results in significant changes in the extent to which animals oxidize dietary nutrients during the postprandial period. J. Exp. Zool. 321A: 503–514, 2014. © 2014 Wiley Periodicals, Inc.
Gender, age‐related, and regional differences of the magnetization transfer ratio of the cortical and subcortical brain gray matter
Authors: Mascalchi Mario , Toschi Nicola , Ginestroni Andrea , Giannelli Marco , Nicolai Emanuele , Aiello Marco , Soricelli Andrea , Diciotti Stefano 
Published: July 2014

PurposeTo explore gender, age‐related, and regional differences of magnetization transfer ratio (MTR) of brain cortical and subcortical gray matter (GM).Materials and MethodsIn all, 102 healthy subjects (51 women and 51 men; range 25–84 years) were examined with 3‐mm thick MT images. We assessed MTR in automatically segmented GM structures including frontal, parietal‐insular, temporal, and occipital cortex, caudate, pallidus and putamen, and cerebellar cortex. A general linear model analysis was conducted to ascertain the linear and quadratic relationship among the MTR and gender, age, and anatomical structure.ResultsThe effect of gender was borderline (P = 0.07) in all GM structures (with higher MTR values in men), whereas age showed a significant linear as well as quadratic effect in all cortical and subcortical GM structures (P ≤ 0.001). Quadratic age‐related decrease in MTR began at about 40 years of age. Mean and standard deviation (SD) of MTR had the following decreasing order: thalamus (58.3 + 0.8), pallidus (56.8 ± 1.3), caudate (55.5 ± 1.6) and putamen (54.6 ± 1.1); temporal (56.8 ± 0.9), parietal‐insular (56.8 ± 1.1), frontal (56.5 ± 1.1), occipital (55.4 ± 1.0) and cerebellar (53.2 ± 1.0) cortex. In post‐hoc testing, all regional pairwise differences were statistically significant except pallidus vs. temporal or parietal‐insular cortex, caudate vs. occipital cortex, frontal vs. parietal‐insular or temporal cortex.ConclusionMTR of the cortical and subcortical brain GM structures decreases quadratically after midlife and shows significant regional differences. J. Magn. Reson. Imaging 2014;40:360–366 © 2013 Wiley Periodicals, Inc.
Factors influencing the development and implementation of advanced radiographer practice in Australia – a qualitative study using an interpretative phenomenological approach
Authors: Page Barbara A. , Bernoth Maree , Davidson Rob 
Published: July 2014

AbstractIntroductionThe purpose of this study was to explore the factors influencing the implementation or the lack of implementation of advanced practitioner role in Australia.MethodsThis study uses an interpretative phenomenological approach to explore the in‐depth real life issues, which surround the advanced practitioner as a solution to radiologist workforce shortages in Australia. Research participants are radiographers, radiation therapists and health managers registered with the Australian Institute of Radiography (AIR) and holding senior professional and AIR Board positions with knowledge of current advanced practice.ResultsIn total, seven interviews were conducted revealing education, governance, technical, people issues, change management, government, costs and timing as critical factors influencing advanced practice in Australia.ConclusionsSeven participants in this study perceived an advanced practice role might have major benefits and a positive impact on the immediate and long‐term management of patients. Another finding is the greater respect and appreciation of each other's roles and expertise within the multidisciplinary healthcare team. Engagement is required of the critical stakeholders that have been identified as ‘blockers’ (radiologists, health departments) as well as identified allies (e.g. emergency clinicians, supportive radiologists, patient advocacy groups). The research supports that the AIR has a role to play for the professional identity of radiographers and shaping the advanced practice role in Australia.
Flt3 ligand does not differentiate between Parkinsonian disorders
Authors: Silajdžić Edina , Constantinescu Radu , Holmberg Björn , Björkqvist Maria , Hansson Oskar 
Published: July 2014

AbstractBackgroundDifferential diagnosis of parkinsonian disorders is challenging because of overlapping symptoms, especially during early stages of disease. No validated biomarkers are available for early and accurate diagnosis of multiple system atrophy and other parkinsonian disorders. It has been reported that flt3 ligand levels in cerebrospinal fluid could clearly differentiate patients with Parkinson's disease from patients with multiple system atrophy, with 99% sensitivity and 95% specificity.MethodsWe measured flt3 ligand levels in cerebrospinal fluid of subjects with Parkinson's disease (n = 37), multiple system atrophy (n = 30), and progressive supranuclear palsy (n = 19).ResultsIn our cohort, no significant difference was found in flt3 ligand levels between Parkinson's disease, multiple system atrophy, and progressive supranuclear palsy.ConclusionsOur results suggest that cerebrospinal fluid flt3 ligand levels do not differentiate between parkinsonian disorders.
On the Solvent‐free Structure of a Jäger‐type Cobalt(II) N2O2‐Chelate Complex
Authors: Seidel Rüdiger W. , Goddard Richard , Breidung Jürgen , Jäger Ernst‐G. 
Published: July 2014

Abstract A combined synchrotron X‐ray and density functional theory (DFT) study on the structure of a Jäger‐type N2O2 chelate complex was carried out. The ethoxy‐substituted bis(3‐oxo‐enaminato)cobalt(II) complex (1) was an original sample from the laboratory of the late Professor Ernst‐G. Jäger (University of Jena, Germany). Single‐crystal X‐ray analysis revealed essentially flat molecules of 1, which are unsolvated and coordinatively unsaturated. The DFT calculations on the isolated molecule predict a planar structure for the non‐hydrogen atoms, which is a local minimum on the energy surface. The crystal packing is achieved through off‐set stacking (staircase arrangement), resulting in a herringbone pattern in the space group P212121. The structure of 1 is compared to known structures of related bis(3‐oxo‐enaminato)cobalt(II) complexes (2–4). Original bulk material of 1 was investigated by scanning electron microscopy (SEM), powder X‐ray diffraction (PXRD), melting point determination, and infrared (IR) spectroscopy.
Legally Armenian: Tolerance, Conversion, and Name Change in Turkish Courts
Authors: Özgül Ceren 
Published: July 2014

AbstractOver the last fifteen years, hundreds of Muslim citizens claiming Armenian descent have submitted petitions to Turkey's secular legal authorities asking for changes to both their name and religion in the public record. In this article, I discuss the name-change cases of Armenian return converts to further the debates on Turkish secularism and to critique the body of scholarship that welcomes the governing Justice and Development Party's legal reforms as a measure of growing religious tolerance. In the article's first part I analyze the historical foundations of the regulation of religion and name changes in Turkey by fully and explicitly engaging with law as a site where minority difference is constructed, authorized, and challenged. The article's second half offers an alternative reading of how tolerance functions as an aspect of the Justice and Development Party's reforms. Based on my investigation of specific legal forms of argument that converted Armenians and their lawyers put forward in today's secular courts, and how legal officers of the state respond to them, I demonstrate that legal reform has shifted the definition of religion as a marker of minority difference in legal space. I argue that the historical context of name change and religious conversion forces the limits of existing understandings of freedom of religion in Turkey, and that this renders visible historical injustices that cannot be resolved simply through the notion of “religious tolerance” in the courts.