bluuebunny/crossref_metadata_2025_split huggingface dataset:
Small‐Molecule Anion Recognition by a Shape‐Responsive Bowl‐Type Dodecavanadate
Authors: Kuwajima Sho , Kikukawa Yuji , Hayashi Yoshihito 
Published: April 2017

AbstractA dodecavanadate, [V12O32]4−, is an inorganic bowl‐type host with a cavity entrance with a diameter of 4.4 Å in the optimized structure. Linear, bent, and trigonal planar anions are tested as guest anions and the formation of host–guest complexes, [V12O32(X)]5− (X=CN−, OCN−, NO2−, NO3−, HCO2−, and CH3CO2−), were confirmed by X‐ray crystallographic analyses and a 51V NMR spectroscopy study. The degree of distortion of the bowl from a regular to an oval shape depends on the type of guest anion. In 51V NMR spectroscopy, all chemical shifts of the host–guest complexes are clearly shifted after guest incorporation. The incorporation reaction rates for OCN−, NO2−, HCO2−, and CH3CO2− are much larger than those of NO3− and halides. The incorporated nonspherical molecular anions in the dodecavanadate host are easily dissociated or exchanged for other anions, whereas spherical halides in the host are preserved without dissociation, even in the presence of the tested anions.
Gold(I)‐Complex–Titania Hybrid Photocatalyst for Hydrogen Production
Authors: Aguiló Elisabet , Soler Lluís , Casanovas Albert , Moro Artur J. , Lima João Carlos , Rodríguez Laura , Llorca Jordi 
Published: April 2017

AbstractThe integration of TiO2 with a AuI complex containing a thiocoumarin moiety resulted in a very efficient photocatalyst for the generation of H2. The molecular structure of the complex was preserved under the photoreaction owing to the strong AuI−S bond. The AuI complex played a determinant role in the photogeneration of H2 by accepting the photoinduced electrons originated in TiO2 upon light exposure. This is the first example of a AuI complex semiconductor hybrid photocatalyst. The rate of H2 generation under dynamic conditions from water/ethanol is approximately one order of magnitude superior on a metal basis to that obtained over conventional TiO2 decorated with Au metal nanoparticles.
Tunable Porous Coordination Polymers for the Capture, Recovery and Storage of Inhalation Anesthetics
Authors: Abrahams Brendan F. , Dharma A. David , Donnelly Paul S. , Hudson Timothy A. , Kepert Cameron J. , Robson Richard , Southon Peter D. , White Keith F. 
Published: April 2017

AbstractThe uptake of inhalation anesthetics by three topologically identical frameworks is described. The 3D network materials, which possess square channels of different dimensions, are formed from the relatively simple combination of ZnII centres and dianionic ligands that contain a phenolate and a carboxylate group at opposite ends. All three framework materials are able to adsorb N2O, Xe and isoflurane. Whereas the framework with the widest channels is able to adsorb large quantities of the various guests from the gas phase, the frameworks with the narrower channels have superior binding enthalpies and exhibit higher levels of retention. The use of ligands in which substituents are bound to the aromatic rings of the bridging ligands offers great scope for tuning the adsorption properties of the framework materials.
The Transformation of Hybrid Silica Nanoparticles from Solid to Hollow or Yolk‐Shell Nanostructures
Authors: Liu Xingwen , Qian Guangren , Jiao Zheng , Wu Minghong , Zhang Haijiao 
Published: April 2017

AbstractHere, a facile self‐templating approach is presented for synthesis of hollow and yolk‐shell mesoporous silica nanoparticles (HMSNs and YMSNs) through a selective etching of hybrid silica nanoparticles. The hybrid silica nanoparticles are from the co‐condensation of tetraethylorthosilicate (TEOS) and N‐[3‐(trimethoxysilyl)propyl]ethylenediamine (TSD) by a simple one‐step process. Two kinds of products including HMSNs and YMSNs can be easily prepared only by tuning the TSD amounts in the precursor. Significantly, the transformation of hollow structure does not use any sacrificial template and surface‐protective agent. The etching mechanism and formation process are systematically investigated by SEM, TEM, TG, CHN elemental analysis and Si MAS NMR spectroscopy. The results reveal that the selective etching is mainly attributed to the discrepancy in density between the outer layer and inner area of hybrid silica, where its inner section is more readily dissolved while the outer shell is robust in hydrofluoric acid (HF) aqueous solution. Specifically, the new understanding is further extended to precisely prepare multi‐shelled hollow/yolk‐shell silica nanoparticles.
The honeybee as a model insect for developmental genetics
Authors: Cridge A.G. , Lovegrove M.R. , Skelly J.G. , Taylor S.E. , Petersen G.E.L. , Cameron R.C. , Dearden P.K. 
Published: April 2017

AbstractHoneybees are an important component of modern agricultural systems, and a fascinating and scientifically engrossing insect. Honeybees are not commonly used as model systems for understanding development in insects despite their importance in agriculture. Honeybee embryogenesis, while being superficially similar to Drosophila, is molecularly very different, especially in axis formation and sex determination. In later development, much of honeybee biology is modified by caste development, an as yet poorly understood, but excellent, system to study developmental plasticity. In adult stages, developmental plasticity of the ovaries, related to reproductive constraint exhibits another aspect of plasticity. Here they review the tools, current knowledge and opportunities in honeybee developmental biology, and provide an updated embryonic staging scheme to support future studies.
Synthesis and evaluation of cytotoxic activity of conjugated linoleic acid derivatives (esters, alcohols, and their acetates) toward cancer cell lines
Authors: Niezgoda Natalia , Gliszczyńska Anna , Kempińska Katarzyna , Wietrzyk Joanna , Wawrzeńczyk Czesław 
Published: April 2017

Conjugated linoleic acid (CLA) is natural unsaturated fatty acid known for the wide biological properties therefore is available in functional food and cosmetics and as a dietary supplements. In this study a series of simple derivatives of cis‐9,trans‐11 and trans‐10,cis‐12 CLA and a mixture of those isomers have been proposed as alternative for free CLA preparations. Obtained in high yields (>72%) ethyl esters, alcohols, and their acetates have been subjected to in vitro cytotoxic assay against human tumor cells (human promyelocytic leukemia, breast cancer, and colon cancer) and compered with stearic and linoleic derivatives. Studies showed that the growth inhibitory activities depended on the degree of unsaturation. All CLA derivatives except ethyl esters showed similar activities compared to free CLA isomers. Moreover, this study showed that trans‐10,cis‐12 CLA derivatives have better anticancer properties against all tested tumor cells than derivatives of cis‐9,trans‐11 isomer and a mixture of both isomers.Practical applications: This paper make a contribution in the field of study of biological activity of CLA derivatives and completes deficiencies in spectroscopic data of known isomers of ethyl esters of CLA isomers, conjugated octadecadienoic alcohols and their acetates. Obtained compounds can be used as a components of cosmetics and food supplements.A series of simple derivatives of cis‐9,trans‐11 and trans‐10,cis‐12 CLA and a mixture of those isomers are obtained in high yields (>72%). CLA derivatives: Ethyl esters, alcohols, and their acetates are subjected to in vitro cytotoxic assay against human tumor cells. Studies show that all CLA derivatives except ethyl esters show similar activities compared to free CLA isomers. Moreover, this study show that trans‐10,cis‐12 CLA derivatives have better anticancer properties against all tested tumor cells than derivatives of cis‐9,trans‐11 isomer and a mixture of both isomers.
Mesh regularization for an ALE code based on the limitation of the Lagrangian mesh velocity
Authors: Costes J. , Ghidaglia J.‐M. , Breil J. 
Published: April 2017

SummaryThe Lagrangian approach is usually used for the simulation of flow with strong shock waves. Moreover, this approach is particularly well suited to treatment of material interfaces in the case of multimaterial flows.Unfortunately, this formulation leads to very large deformations in the mesh. The arbitrary Lagrangian‐Eulerian method overcomes this drawback by using a mesh regularization that is based on an analysis of cell geometry. The regularization step may be considered as a method used to correct the nonconvex and potentially tangled cells that constitute the mesh. In this paper, we present a new approach to mesh regularization. Instead of using a purely geometric criterion, we propose that the mesh evolution is computed on the basis of the flow vorticity. This approach is called the large Eddy limitation method, and it is aimed here to be used in finite volume direct arbitrary Lagrangian‐Eulerian methods. The large Eddy limitation method is general, which means that it is not restricted to applications in the finite volume framework dedicated to fluid flow simulation; for instance, it could also be naturally applied to the finite element framework.
Categorical learning revealed in activity pattern of left fusiform cortex
Authors: Goold Jessica E. , Meng Ming 
Published: April 2017

AbstractThe brain is organized such that it encodes and maintains category information about thousands of objects. However, how learning shapes these neural representations of object categories is unknown. The present study focuses on faces, examining whether: (1) Enhanced categorical discrimination or (2) Feature analysis enhances face/non‐face categorization in the brain. Stimuli ranged from non‐faces to faces with two‐toned Mooney images used for testing and gray‐scale images used for training. The stimulus set was specifically chosen because it has a true categorical boundary between faces and non‐faces but the stimuli surrounding that boundary have very similar features, making the boundary harder to learn. Brain responses were measured using functional magnetic resonance imaging while participants categorized the stimuli before and after training. Participants were either trained with a categorization task, or with non‐categorical semblance analyzation. Interestingly, when participants were categorically trained, the neural activity pattern in the left fusiform gyrus shifted from a graded representation of the stimuli to a categorical representation. This corresponded with categorical face/non‐face discrimination, critically including both an increase in selectivity to faces and a decrease in false alarm response to non‐faces. By contrast, while activity pattern in the right fusiform cortex correlated with face/non‐face categorization prior to training, it was not affected by learning. Our results reveal the key role of the left fusiform cortex in learning face categorization. Given the known right hemisphere dominance for face‐selective responses, our results suggest a rethink of the relationship between the two hemispheres in face/non‐face categorization.Hum Brain Mapp 38:3648–3658, 2017. ©2017 Wiley Periodicals, Inc.
Simulations of water movement and solute transport through different soil texture configurations under negative‐pressure irrigation
Authors: Wang Jiajia , Huang Yuanfang , Long Huaiyu , Hou Sen , Xing An , Sun Zhongxiang 
Published: April 2017

AbstractThis study examined the effects of different soil texture configurations on water movement and solute transport to provide a reliable scientific basis for the application of negative‐pressure irrigation (NPI) technology. HYDRUS‐2D was used to analyse water movement and solute transport under NPI. The main results are as follows: (a) HYDRUS‐2D can be used to simulate water movement and solute transport under NPI, as there was good agreement between the simulated and measured values for water contents, NaCl concentrations, cumulative water infiltration, and wetting distances in the horizontal and vertical directions; the Nash–Sutcliffe efficiency coefficients were in the range of 0.94–0.97. (b) Layered soils have obvious effects on water movement under NPI. With the emitter position in the loam layer, when a coarse texture of loamy sand was present below the loam layer (namely, L‐LS), irrigation water accumulated in the topsoil, and this led to an increase in evaporation compared with the homogeneous loam profile. However, fine texture silty loam or silty clay loam layers beneath the loam layer (namely, L‐SiL or L‐SiCL, respectively) was more conducive to water infiltration into the lower layer, and this increased the amount of water infiltration and simultaneously reduced the surface evaporation effectively. (c) Layered soils have obvious effects on solute transport under NPI, and salt accumulation will readily occur in the clay‐rich soil layer at the interface. The maximum soil salt accumulation of L‐LS occurred above the soil interface between the two soil layers with a value of 21.80 g/kg; however, for L‐SiCL and L‐SiL, the maximum salt accumulation occurred below the soil interface between the two soil layers, with values of 23.80 g/kg and 20.08 g/kg, respectively. (d) Interlayered soils showed remarkable changes in the water infiltration characteristics and salt‐leaching intensities under NPI, and the properties for the soil profile with a silty loam interlayer were better than those for the soil profile with a silty clay loam interlayer. The soil profile with a loamy sand interlayer had the lowest amount of water infiltration, which resulted in reductions of the salt‐leaching intensities. Thus, NPI is clearly not suitable for loamy sand soil. Overall, the results demonstrated that soil texture configurations affected water movement and solute transport under NPI. Therefore, careful consideration should be given to the use of NPI to achieve target soil water and solution conditions and reduce water loss.
Simulation of mono‐PEGylated lysozyme separation in heparin affinity chromatography using a general rate model
Authors: Mejía‐Manzano Luis Alberto , Sandoval Gabriela , Lienqueo M Elena , Moisset Pablo , Rito‐Palomares Marco , Asenjo Juan A 
Published: April 2017

AbstractBACKGROUNDThe bioavailability of therapeutic proteins is improved through PEGylation. This chemical modification involves the production of isomers with different numbers and sites of attached PEG chains, which are difficult to separate efficiently. Their purification with chromatography requires an understanding of the operation and the evaluation of different operational conditions. The General Rate Model (GRM) was applied for modelling the linear salt gradient elution of mono‐PEGylated and native lysozyme in Heparin Affinity Chromatography (HAC) considering mass balance equations for proteins in the bulk‐fluid phase, in the particle phase and the kinetic adsorption.RESULTSThe model was able to simulate the individual proteins and the separation of these in a PEGylation reaction using as proof‐of‐concept a mono‐PEGylated and native lysozyme mixture under changes of operational parameters such as the gradient length (5, 13, 25 column volumes) and flow (0.8 and 1.2 mL min‐1) with a relative error in retention times of less than 6% and correlation coefficients greater than 0.78.CONCLUSIONSimulation of the elution curves of PEGylated lysozyme in HAC was performed in this work and the diverse information generated by the model is explained through the physicochemical protein properties. This simulation represents a tool for optimization, prediction and future scale‐up of PEGylated proteins purification, which would reduce the investment in time and resources to test several operating conditions. © 2017 Society of Chemical Industry
A Validated and Reliable Instrument Investigating Engineering Students’ Perceptions of Competency in Generic Skills
Authors: Chan Cecilia K. Y. , Zhao Yue , Luk Lillian Y. Y. 
Published: April 2017

AbstractBackgroundAlthough generic skills development is a concern of educational policy and accreditation bodies, little is known about how engineering students perceive generic skills in relation to their motivation for learning such skills. The development of these skills is often done only through ad hoc approaches, without a well‐structured curriculum design framework. Disagreement over the nuances and interpretations of generic skills across disciplines makes framework design even more challenging.Purpose/HypothesisTo investigate students’ perceptions of generic skills on a disciplinary basis, this article reports the development and validation of the Generic Skills Perception Questionnaire designed for investigating engineering students’ perceptions of their level of competency in these skills.Design/MethodThe questionnaire was administered to 1,241 first‐year engineering students from three universities in Hong Kong. Most of the questionnaire was items asking students to rate their perceived level of competency in 38 generic skills. Exploratory and confirmatory factor analyses were performed to examine the psychometric properties of the instrument for providing evidence on reliability and validity.ResultsExploratory factor analysis resulted in eight scales. Confirmatory factor analyses demonstrated that the correlated eight‐factor model and higher‐order factor model provided an acceptable fit with the data. Cronbach's alpha values indicated that the scales were reliable.ConclusionsThe questionnaire was reliable and valid. Findings from the questionnaire will help develop a conceptual framework facilitating the understanding of engineering students’ generic skills development.
Diagnostic Value of Virtual Touch Tissue Imaging Quantification for Evaluating Median Nerve Stiffness in Carpal Tunnel Syndrome
Authors: Zhang Chen , Li Miao , Jiang Jue , Zhou Qi , Xiang Li , Huang Yajuan , Ban Wenrui , Peng Wei 
Published: April 2017

ObjectivesTo measure the shear wave velocity (SWV) of the median nerve by Virtual Touch tissue imaging quantification (VTIQ; Siemens AG, Erlangen, Germany) through the beginning of the carpal tunnel and to determine whether VTIQ could be used to diagnose carpal tunnel syndrome.MethodsThis study recruited 49 consecutive patients (72 wrists) with a definitive diagnosis of carpal tunnel syndrome and 23 healthy volunteers (46 wrists). We measured the median nerve diameter and cross‐sectional area by 2‐dimensional sonography and the SWV by VTIQ. The interobserver variability was analyzed, and diagnostic values were evaluated by drawing a receiver operating characteristic curve.ResultsThe median nerve SWV was significantly higher in the carpal tunnel syndrome group (3.857 m/s) than the control group (2.542 m/s; P < .05). A 3.0‐m/s SWV cutoff value revealed sensitivity, specificity, positive predictive value, negative predictive value, and accuracy of 83.3%, 91.3%, 93.8%, 77.8%, and 86.4%, respectively. The interobserver agreement was excellent for the SWV measurements.ConclusionsThe median nerve SWV at the carpal tunnel inlet is significantly higher in patients with carpal tunnel syndrome, for whom VTIQ appears to be a highly reproducible diagnostic technique.
A rare variant in TOR1A exon 5 associated with isolated dystonia in southwestern Chinese
Authors: Long Yuzhou , Chen Yang , Qian Yuan , Wang Jianlin , Luo Lihua , Huang Xiaoqin , Li Li , Chu Jiayou , Yang Zhaoqing , Sun Hao 
Published: April 2017

ABSTRACTBackground: TOR1A has been proposed as an important genetic factor in early‐onset isolated dystonia. Variants located in the 3′ untranslated region of TOR1A are of particular importance because they may influence gene expression, although related studies are limited. The objectives of the present study focused on variants in the TOR1A 3′ untranslated region.Methods: The last exon of TOR1A was sequenced in 229 cases with isolated dystonia and in 210 controls. In addition, 471 controls were tested to determine the frequency of the variants in the 3′ untranslated region.Results: Except for c.904_906delGAG, 3 rare sequence variants (NM_000113.2:c.*454T>A, NM_000113.2:c.860C>A [rs766483672], and NM_000113.2:c.*302T>A [rs563498119]) were found only in the patients. The c.*302T>A variant was located in the conserved region of the human microRNA (hsa‐miR‐494) binding site. A luciferase reporter assay showed that c.*302T>A significantly altered gene expression.Conclusions: Population frequencies, computational analyses, and function experiments in this study implied that c.*302T>A is associated with dystonia. © 2017 International Parkinson and Movement Disorder Society
Whole‐body adipose tissue and lean muscle volumes and their distribution across gender and age: MR‐derived normative values in a normal‐weight Swiss population
Authors: Ulbrich Erika J. , Nanz Daniel , Leinhard Olof Dahlqvist , Marcon Magda , Fischer Michael A. 
Published: April 2017

PurposeTo determine age‐ and gender‐dependent whole‐body adipose tissue and muscle volumes in healthy Swiss volunteers in Dixon MRI in comparison with anthropometric and bioelectrical impedance (BIA) measurements.MethodsFat–water‐separated whole‐body 3 Tesla MRI of 80 healthy volunteers (ages 20 to 62 years) with a body mass index (BMI) of 17.5 to 26.2 kg/m2 (10 men, 10 women per decade). Age and gender‐dependent volumes of total adipose tissue (TAT), visceral adipose tissue (VAT), total abdominal subcutaneous adipose tissue (ASAT) and total abdominal adipose tissue (TAAT), and the total lean muscle tissue (TLMT) normalized for body height were determined by semi‐automatic segmentation, and correlated with anthropometric and BIA measurements as well as lifestyle parameters.ResultsThe TAT, ASAT, VAT, and TLMT indexes (TATi, ASATi, VATi, and TLMTi, respectively) (L/m2 ± standard deviation) for women/men were 6.4 ± 1.8/5.3 ± 1.7, 1.6 ± 0.7/1.2 ± 0.5, 0.4 ± 0.2/0.8 ± 0.5, and 5.6 ± 0.6/7.1 ± 0.7, respectively. The TATi correlated strongly with ASATi (r > 0.93), VATi, BMI and BIA (r > 0.70), and TAATi (r > 0.96), and weak with TLMTi for both genders (r > –0.34). The VAT was the only parameter showing an age dependency (r > 0.32). The BMI and BIA showed strong correlation with all MR‐derived adipose tissue volumes. The TAT mass was estimated significantly lower from BIA than from MRI (both genders P < .001; mean bias –5 kg).ConclusionsThe reported gender‐specific MRI‐based adipose tissue and muscle volumes might serve as normative values. The estimation of adipose tissue volumes was significantly lower from anthropometric and BIA measurements than from MRI. Magn Reson Med 79:449–458, 2018. © 2017 International Society for Magnetic Resonance in Medicine.
Media Nations
Authors: Mihelj Sabina 
Published: April 2017

Media Nations: Communicating Belonging and Exclusion in the Modern World provides an original interdisciplinary introduction to the study of the media and nationalism in the modern world. Building on a range of international case studies and taking into account recent debates about globalization, cosmopolitanism and alternative modernities, Sabina Mihelj offers an insightful analysis that:
- Argues for the continuing relevance of concepts such as nationalism and national identity in understanding the global patterns of mediated communication and identification
- Bridges the gap between text-based analysis of national imagination and the more sociological concerns with the impact of media institutions and the broader political and economic context
- Challenges the tacit ethnocentrism of existing debates, and opens up the study of nationalism and mass communication to the multiple trajectories of modernity around the globe
Media Nations is an important and timely contribution to debates on the media, nationalism and modernity.
Sabina Mihelj has worked and studied in Slovenia, Hungary, and Germany, and is currently a Lecturer in Media, Communication and Culture at Loughborough University, (UK). Her research centres on issues of collective identity formation and mass communication, with particular reference to nationalism, European integration, religion and communism.