bluuebunny/crossref_metadata_2025_split huggingface dataset:
Near‐IR Absorbing BODIPY Derivatives as Glutathione‐Activated Photosensitizers for Selective Photodynamic Action
Authors: Turan Ilke Simsek , Cakmak Fatma Pir , Yildirim Deniz Cansen , Cetin‐Atalay Rengul , Akkaya Engin U. 
Published: October 2014

AbstractEnhanced spatiotemporal selectivity in photonic sensitization of dissolved molecular oxygen is an important target for improving the potential and the practical applications of photodynamic therapy. Considering the high intracellular glutathione concentrations within cancer cells, a series of BODIPY‐based sensitizers that can generate cytotoxic singlet oxygen only after glutathione‐mediated cleavage of the electron‐sink module were designed and synthesized. Cell culture studies not only validate our design, but also suggest an additional role for the relatively hydrophobic quencher module in the internalization of the photosensitizer.
Magnetically Aligned Supramolecular Hydrogels
Authors: Wallace Matthew , Cardoso Andre Zamith , Frith William J. , Iggo Jonathan A. , Adams Dave J. 
Published: October 2014

AbstractThe magnetic‐field‐induced alignment of the fibrillar structures present in an aqueous solution of a dipeptide gelator, and the subsequent retention of this alignment upon transformation to a hydrogel upon the addition of CaCl2 or upon a reduction in solution pH is reported. Utilising the switchable nature of the magnetic field coupled with the slow diffusion of CaCl2, it is possible to precisely control the extent of anisotropy across a hydrogel, something that is generally very difficult to do using alternative methods. The approach is readily extended to other compounds that form viscous solutions at high pH. It is expected that this work will greatly expand the utility of such low‐molecular‐weight gelators (LMWG) in areas where alignment is key.
Terminal Alkenes as Versatile Chemical Reporter Groups for Metabolic Oligosaccharide Engineering
Authors: Späte Anne‐Katrin , Schart Verena F. , Schöllkopf Sophie , Niederwieser Andrea , Wittmann Valentin 
Published: October 2014

AbstractInvited for the cover of this issue are Valentin Wittmann and his co‐workers at the University of Konstanz. The image depicts their “sugar champion” and its labeling on cell membranes in a way one might enjoy during the soccer world cup. Read the full text of the article at 10.1002/chem.201404716.
A methodological paradigm for patient‐specific multi‐scale CFD simulations: from clinical measurements to parameter estimates for individual analysis
Authors: Pant S. , Fabrèges B. , Gerbeau J‐F. , Vignon‐Clementel I. E. 
Published: October 2014

SUMMARYA new framework for estimation of lumped (for instance, Windkessel) model parameters from uncertain clinical measurements is presented. The ultimate aim is to perform patient‐specific haemodynamic analysis. This framework is based on sensitivity analysis tools and the sequential estimation approach of the unscented Kalman filter. Sensitivity analysis and parameter estimation are performed in lumped parameter models, which act as reduced order surrogates of the 3D domain for haemodynamic analysis. While the goal of sensitivity analysis is to assess potential identifiability problems, the unscented Kalman filter estimation leads to parameter estimates based on clinical measurements and modelling assumptions. An application of such analysis and parameter estimation methodology is demonstrated for synthetic and real data. Equality constraints on various physiological parameters are enforced. Since the accuracy of the Windkessel parameter estimates depends on the lumped parameter representativeness, the latter is iteratively improved by running few 3D simulations while simultaneously improving the former. Such a method is applied on a patient‐specific aortic coarctation case. Less than 3% and 9% errors between the clinically measured quantities and 3D simulation results for rest and stress are obtained, respectively. Knowledge on how these Windkessel parameters change from rest to stress can thus be learned by such an approach. Lastly, it is demonstrated that the proposed approach is capable of dealing with a wide variety of measurements and cases where the pressure and flow clinical measurements are not taken simultaneously. Copyright © 2014 John Wiley & Sons, Ltd.
Combined Experimental and Computational Studies on the Physical and Chemical Properties of the Renewable Amide, 3‐Acetamido‐5‐acetylfuran
Authors: Liu Yi , Rowley Christopher N. , Kerton Francesca M. 
Published: October 2014

AbstractThe pKa of 3‐acetamido‐5‐acetylfuran (3A5AF) was predicted to be in the range 18.5–21.5 by using the B3LYP/6‐311+G(2d,p) method and several amides as references. The experimental pKa value, 20.7, was determined through UV/Vis titrations. Its solubility was measured in methanol‐modified supercritical CO2 (mole fraction, 3.23×10−4, cloud points 40–80 °C) and it was shown to be less soluble than 5‐hydroxymethylfurfural (5‐HMF). Dimerization energies were calculated for 3A5AF and 5‐HMF to compare hydrogen bonding, as such interactions will affect their solubility. Infrared and 1H nuclear magnetic resonance spectra of 3A5AF samples support the existence of intermolecular hydrogen bonding. The highest occupied molecular orbital, lowest unoccupied molecular orbital, and electrostatic potential of 3A5AF were determined through molecular orbital calculations using B3LYP/6‐311+G(2d,p). The π–π* transition energy (time‐dependent density functional theory study) was compared with UV/Vis data. Calculated atomic charges were used in an attempt to predict the reactivity of 3A5AF. A reaction between 3A5AF and CH3MgBr was conducted. As 3A5AF is a recently developed renewable compound that has previously not been studied extensively, these studies will be helpful in designing future reactions and processes involving this molecule.
ZnO Rhombic Sheets of Highly Crystalline Particles and Their Composite with Ag2O toward Efficient Photocatalysis
Authors: Dong Xiaobin , Yang Ping , Wang Junpeng , Huang Baibiao 
Published: October 2014

AbstractInvited for this month’s cover is the group of Prof. Ping Yang from the University of Jinan, China. This cover picture symbolizes the beauty of a clean environment, while the inset outlines the photocatalysis mechanism of ZnO rhombic sheets decorated with Ag2O nanoparticles useful for degradation of pollutants. Read the full text of the article at 10.1002/cplu.201402182
The Anxiety Attitude and Belief Scale‐2: Development, Measurement Model, and Initial Validity
Authors: Brown Gary P. , Hawkes Nick , Cooper Andrew , Jonsdottir Solveig , Tata Philip 
Published: October 2014

There is a notable lack of measures of enduring beliefs, which are key etiological factors in Beck's cognitive model of anxiety. The Anxiety Attitude and Belief Scale‐2 was developed to address this need. Items from the original AABS were reviewed and revised, and additional items were added to cover the range of constructs identified as reflecting anxiety related expectancies while avoiding the confounding of cognition and affect. Suitability of items was examined using cognitive interviewing (Willis, 2004). The resulting set of 48 items was administered to an index sample of individuals reporting anxiety symptoms and a cross‐validation sample of undergraduate students in order to derive a measurement model describing its internal structure. The final, 33‐item AABS‐2 had a bifactor structure of one general and four specific factors, good fit to the data, common factor content across groups, acceptable precision in measurement, and evidence of construct validity. Copyright © 2014 John Wiley & Sons, Ltd.Key Practitioner Message

Measures of enduring beliefs related to anxiety disorders are needed to assess etiological factors within cognitive therapy; while there are numerous measures of automatic thoughts, there are few measures of beliefs. The present study sought to address this gap.
The items that originally appeared on ten rationally derived scales drawn from clinical phenomenology of anxiety disorders were eventually grouped into four group factors and one general factor in the course of psychometric analyses.
The group factors included ones expected to distinguish groups reporting panic, OCD, and social anxiety symptoms from other anxiety symptom groups, and this prediction was supported. The majority of predictions regarding patterns or correlations were also supported.
Further validation research is needed to evaluate the validity of the AABS and its subscales in predicting course and outcome of psychotherapy.
Photocatalytic Acceptorless Alkane Dehydrogenation: Scope, Mechanism, and Conquering Deactivation with Carbon Dioxide
Authors: Chowdhury Abhishek Dutta , Julis Jennifer , Grabow Kathleen , Hannebauer Bernd , Bentrup Ursula , Adam Martin , Franke Robert , Jackstell Ralf , Beller Matthias 
Published: October 2014

AbstractAlkane dehydrogenation is of special interest for basic science but also offers interesting opportunities for industry. The existing dehydrogenation methodologies make use of heterogeneous catalysts, which suffer from harsh reaction conditions and a lack of selectivity, whereas homogeneous methodologies rely mostly on unsolicited waste generation from hydrogen acceptors. Conversely, acceptorless photochemical alkane dehydrogenation in the presence of trans‐Rh(PMe3)2(CO)Cl can be regarded as a more benign and atom efficient alternative. However, this methodology suffers from catalyst deactivation over time. Herein, we provide a detailed investigation of the trans‐Rh(PMe3)2(CO)Cl‐photocatalyzed alkane dehydrogenation using spectroscopic and theoretical investigations. These studies inspired us to utilize CO2 to prevent catalyst deactivation, which leads eventually to improved catalyst turnover numbers in the dehydrogenation of alkanes that include liquid organic hydrogen carriers.
New Benzo[1,2‐b:4,5‐b′]dithiophene‐Based Small Molecules Containing Alkoxyphenyl Side Chains for High Efficiency Solution‐Processed Organic Solar Cells
Authors: Du Zhengkun , Chen Weichao , Wen Shuguang , Qiao Shanlin , Liu Qian , Ouyang Dan , Wang Ning , Bao Xichang , Yang Renqiang 
Published: October 2014

AbstractA new acceptor–donor–acceptor (A–D–A) small molecule, namely, BDT‐PO‐DPP, based on the alkoxyphenyl (PO)‐substituted benzo[1,2‐b:4,5‐b′]dithiophene (BDT) derivative and the diketopyrrolopyrrole (DPP) unit was synthesized as an electron donor for solution‐processed small‐molecule organic solar cells (SMOSCs). BDT‐PO‐DPP exhibited good thermal stability, with a 5 % weight‐lost temperature at 401 °C under a nitrogen atmosphere. BDT‐PO‐DPP exhibited a lower HOMO energy level of −5.25 eV and a weaker aggregation ability than alkoxy‐substituted BDT‐O‐DPP. A bulk heterojunction SMOSC device based on BDT‐PO‐DPP and [6,6]‐phenyl‐C61‐butyric acid methyl ester was prepared, and it showed a power conversion efficiency up to 5.63 % with a high open‐circuit voltage of 0.83 V, a short circuit current density of 11.23 mA cm−2, and a fill factor of 60.37 % by using 1,2‐dichlorobenzene as the co‐solvent after thermal annealing at 110 °C. The results indicate that the alkoxyphenyl‐substituted BDT derivative is a promising electron‐donor building block for constructing highly efficient solution‐processed SMOSCs.
Initiated CVD of Tertiary Amine‐Containing Glycidyl Methacrylate Copolymer Thin Films for Low Temperature Aqueous Chemical Functionalization
Authors: Sarıipek Fatma , Karaman Mustafa 
Published: October 2014

AbstractThis manuscript reports on the synthesis of copolymer films of glycidyl methacrylate with diethylaminoethyl methacrylate by initiated (i)CVD. The purpose of the incorporation of tertiary amine functionality in the copolymer film is to accelerate the rate of the nucleophilic ring‐opening reaction of the epoxide group under benign conditions. It is found that tertiary amine functionality in the poly(glycidyl methacrylate) (PGMA) film significantly increases the rate and degree of the ring‐opening reactions. After 2 h of reaction at room temperature, 72% of the epoxy groups are consumed, while the conversion under similar conditions is negligible for the PGMA film.
Expression and significance of MOC‐31 and calretinin in pleural fluid of patients with lung cancer
Authors: Lv Ming , Leng Ji‐Hong , Hao Yan‐Yong , Sun Yan , Cha Na , Wu Guang‐Ping 
Published: October 2014

BackgroundThe cytologic assessment of pleural effusions to distinguish carcinoma cells from reactive mesothelial cells is particularly challenging. The aim of this study was to investigate the diagnostic value of monoclonal antibody (MOC‐31) and calretinin in pleural fluid of patients with lung cancer to significantly improve the diagnostic accuracy.MethodsThe expressions of MOC‐31 and calretinin were detected by means of S‐P immunocytochemical technique in pleural effusions of patients with lung cancer (n = 92) and in patients with benign lung disease (n = 70).ResultsThe positive rate of MOC‐31 in pleural fluid was 90.2% (83/92) from patients with lung cancer and 2.9% (2/70) from patients with benign lung diseases, showing a significant difference (P < 0.01). Calretinin was expressed 87.1% (61/70) in benign lung diseases and 6.5% (6/92) in lung cancer, also showing a significant difference (P < 0.01). The optimal combination for assay was MOC‐31 + calretinin: Sensitivity and specificity were 100 and 98.6%, respectively.ConclusionMOC‐31 and calretinin are of important clinical value for diagnosing and differentially diagnosing the cancer cells in pleural fluid of patients with lung cancer. Diagn. Cytopathol. 2015;43:527–531. © 2014 Wiley Periodicals, Inc.
Vegetation in clear‐cuts depends on previous land use: a century‐old grassland legacy
Authors: Jonason Dennis , Ibbe Mathias , Milberg Per , Tunér Albert , Westerberg Lars , Bergman Karl‐Olof 
Published: October 2014

AbstractPlant species richness in central and northern European seminatural grasslands is often more closely linked to past than present habitat configuration, which is indicative of an extinction debt. In this study, we investigate whether signs of historical grassland management can be found in clear‐cuts after at least 80 years as coniferous production forest by comparing floras between clear‐cuts with a history as meadow and as forest in the 1870s in Sweden. Study sites were selected using old land‐use maps and data on present‐day clear‐cuts. Species traits reflecting high capacities for dispersal and persistence were used to explain any possible links between the plants and the historical land use. Clear‐cuts that were formerly meadow had, on average, 36% higher species richness and 35% higher richness of grassland indicator species, as well as a larger overall seed mass and lower anemochory, compared to clear‐cuts with history as forest. We suggest that the plants in former meadows never disappeared after afforestation but survived as remnant populations. Many contemporary forests in Sweden were managed as grasslands in the 1800s. As conservation of remaining grassland fragments will not be enough to reduce the existing extinction debts of the flora, these young forests offer opportunities for grassland restoration at large scales. Our study supports the concept of remnant populations and highlights the importance of considering historical land use for understanding the distribution of grassland plant species in fragmented landscapes, as well as for policy‐making and conservation.
Validation of outlier loci through replication in independent data sets: a test on Arabis alpina
Authors: Buehler Dominique , Holderegger Rolf , Brodbeck Sabine , Schnyder Elvira , Gugerli Felix 
Published: October 2014

AbstractOutlier detection and environmental association analysis are common methods to search for loci or genomic regions exhibiting signals of adaptation to environmental factors. However, a validation of outlier loci and corresponding allele distribution models through functional molecular biology or transplant/common garden experiments is rarely carried out. Here, we employ another method for validation, namely testing outlier loci in specifically designed, independent data sets. Previously, an outlier locus associated with three different habitat types had been detected in Arabis alpina. For the independent validation data set, we sampled 30 populations occurring in these three habitat types across five biogeographic regions of the Swiss Alps. The allele distribution model found in the original study could not be validated in the independent test data set: The outlier locus was no longer indicative of habitat‐mediated selection. We propose several potential causes of this failure of validation, of which unaccounted genetic structure and technical issues in the original data set used to detect the outlier locus were most probable. Thus, our study shows that validating outlier loci and allele distribution models in independent data sets is a helpful tool in ecological genomics which, in the case of positive validation, adds confidence to outlier loci and their association with environmental factors or, in the case of failure of validation, helps to explain inconsistencies.
Wireless Communication in Oil and Gas Wells
Authors: Franconi Nicholas G. , Bunger Andrew P. , Sejdić Ervin , Mickle Marlin H. 
Published: October 2014

AbstractWe review the techniques of below‐ground wireless communication in the oil and gas industry. A historical and theoretical analysis of pressure wave and electromagnetic communication is presented. Case studies for both technologies and their current applications are evaluated to identify the limitations of each method and opportunities for innovation. Finally, the possibilities of smart well technology are discussed with focus on sensors powered wirelessly for the continuous monitoring of shale oil/gas reservoirs using electromagnetic methods. We conclude that the critical challenges are associated with powering the devices, which must perform for periods of months to years and must be able to generate sufficiently powerful signals to overcome the large signal attenuation associated with electromagnetic wave propagation through geological media.
Seismic behavior and modeling of steel reinforced concrete (SRC) walls
Authors: Ji Xiaodong , Sun Ya , Qian Jiaru , Lu Xinzheng 
Published: October 2014

SummaryThe steel reinforced concrete (SRC) wall consists of structural steel embedded at the boundary elements of a reinforced concrete (RC) wall. The use of SRC walls has gained popularity in the construction of high‐rise buildings because of their superior performance over conventional RC walls. This paper presents a series of quasi‐static tests used to examine the behavior of SRC walls subjected to high axial force and lateral cyclic loading. The SRC wall specimens showed increased flexural strength and deformation capacity relative to their RC wall counterpart. The flexural strength of SRC walls was found to increase with increasing area ratio of embedded structural steel, while the section type of embedded steel did not affect the wall's strength. The SRC walls under high axial force ratio had an ultimate lateral drift ratio of approximately 1.4%. In addition, a multi‐layer shell element model was developed for the SRC walls and was implemented in the OpenSees program. The numerical model was validated through comparison with the test data. The model was able to predict the lateral stiffness, strength and deformation capacities of SRC walls with a reasonable level of accuracy. Finally, a number of issues for the design of SRC walls are discussed, along with a collection and analysis of the test data, including (1) evaluation of flexural strength, (2) calculation of effective flexural stiffness, and (3) inelastic deformation capacity of SRC walls. Copyright © 2014 John Wiley & Sons, Ltd.
Increased functional connectivity between superior colliculus and brain regions implicated in bodily self‐consciousness during the rubber hand illusion
Authors: Olivé Isadora , Tempelmann Claus , Berthoz Alain , Heinze Hans‐Joachim 
Published: October 2014

AbstractBodily self‐consciousness refers to bodily processes operating at personal, peripersonal, and extrapersonal spatial dimensions. Although the neural underpinnings of representations of personal and peripersonal space associated with bodily self‐consciousness were thoroughly investigated, relatively few is known about the neural underpinnings of representations of extrapersonal space relevant for bodily self‐consciousness. In the search to unravel brain structures generating a representation of the extrapersonal space relevant for bodily self‐consciousness, we developed a functional magnetic resonance imaging (fMRI) study to investigate the implication of the superior colliculus (SC) in bodily illusions, and more specifically in the rubber hand illusion (RHi), which constitutes an established paradigm to study the neural underpinnings of bodily self‐consciousness. We observed activation of the colliculus ipsilateral to the manipulated hand associated with eliciting of RHi. A generalized form of context‐dependent psychophysiological interaction analysis unravelled increased illusion‐dependent functional connectivity between the SC and some of the main brain areas previously involved in bodily self‐consciousness: right temporoparietal junction (rTPJ), bilateral ventral premotor cortex (vPM), and bilateral postcentral gyrus. We hypothesize that the collicular map of the extrapersonal space interacts with maps of the peripersonal and personal space generated at rTPJ, vPM and the postcentral gyrus, producing a unified representation of space that is relevant for bodily self‐consciousness. We suggest that processes of multisensory integration of bodily‐related sensory inputs located in this unified representation of space constitute one main factor underpinning emergence of bodily self‐consciousness. Hum Brain Mapp 36:717–730, 2015.. © 2014 Wiley Periodicals, Inc.
Bio‐inspired microstructures in collagen type I hydrogel
Authors: Hosseini Yahya , Verbridge Scott S. , Agah Masoud 
Published: October 2014

AbstractThis article presents a novel technique to fabricate complex type I collagen hydrogel structures, with varying depth and width defined by a single fabrication step. This technique takes advantage of reactive ion etching lag to fabricate three‐dimensional (3‐D) structures in silicon. Then, a polydimethylsiloxane replica was fabricated utilizing soft lithography and used as a stamp on collagen hydrogel to transfer these patterns. Endothelial cells were seeded on the hydrogel devices to measure their interaction with these more physiologically relevant cell culture surfaces. Confocal imaging was utilized to image the hydrogel devices to demonstrate the robustness of the fabrication technique, and to study the cell–extracellular matrix interaction after cell seeding. In this study, we observed that endothelial cells remodeled the sharp scallops of collagen hydrogel structures and compressed the structures with low degree of slope. Such patterning techniques will enhance the physiological relevance of existing 3‐D cell culture platforms by providing a technical bridge between the high resolution yet planar techniques of standard lithography with more complex yet low resolution 3‐D printing methods. © 2014 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 103A: 2193–2197, 2015.