bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Forgotten Chiral Spiro Compound Revisited: 3,3'‐Dimethyl‐3H,3'H‐2,2'‐spirobi[[1,3]benzothiazole]
Authors: Lindamulage De Silva Angélique , Risso Vesna , Jean Marion , Giorgi Michel , Monnier Valérie , Naubron Jean‐Valère , Vanthuyne Nicolas , Farran Daniel , Roussel Christian 
Published: August 2015

AbstractThe title compound was obtained as a side product during dimerization‐oxidation steps of the carbene generated from N‐methylbenzothiazolium iodide. Chromatography on (S,S)‐Whelk O1 column showed on cooling a typical plateau shape chromatogram indicating an exchange between two enantiomers on the column. The thermal barrier to racemization was determined (85 kJ.mol−1 at 10 °C) by dynamic high‐performance liquid chromatography (DHPLC).The absolute configuration of the first (M) and second eluted (P) enantiomers on the (S, S)‐Whelk O1 column was established by comparing the reconstructed circular dichroism (CD) spectra from the CD detector signal and the calculated CD spectrum of the (P) enantiomer. Mass spectrometry revealed that 3,3'‐dimethyl‐3H,3'H‐2,2'‐spirobi[[1,3]benzothiazole] can be viewed as a masked thiophenate attached to a benzothiazolium framework. Chirality 27:716–721, 2015. © 2015 Wiley Periodicals, Inc.
Zwitterionic Phosphorylated Quinines as Chiral Solvating Agents for NMR Spectroscopy
Authors: Rudzińska‐Szostak Ewa , Górecki Łukasz , Berlicki Łukasz , Ślepokura Katarzyna , Mucha Artur 
Published: August 2015

AbstractBecause of their unique 3D arrangement, naturally occurring Cinchona alkaloids and their synthetic derivatives have found wide‐ranging applications in chiral recognition. Recently, we determined the enantioselective properties of C‐9‐phosphate mixed triesters of quinine as versatile chiral solvating agents in nuclear magnetic resonance (NMR) spectroscopy. In the current study, we introduce new zwitterionic members of this class of molecules containing a negatively charged phosphate moiety (i.e., ethyl, n‐butyl and phenyl hydrogen quininyl phosphate). An efficient approach for synthesizing these compounds is elaborated, and full characterization, including conformational and autoaggregation phenomena studies, was performed. Therefore, their ability to induce NMR anisochrony of selected enantiomeric substrates (i.e., primarily N‐DNB‐protected amino acids and their methyl esters) was analyzed compared to uncharged diphenyl quininyl phosphate and its positively charged quaternary ammonium hydrochloride salt. In addition, 1H and 13C NMR experiments revealed their enantiodiscrimination potential toward novel analytes, such as secondary amines and nonprotected amino acids. Chirality 27:752–760, 2015. © 2015 Wiley Periodicals, Inc.
The Role of Target Binding Kinetics in Drug Discovery
Authors: Guo Dong , Heitman Laura H. , IJzerman Adriaan P. 
Published: August 2015

AbstractTraditionally structure–activity/affinity relationships (SAR) have dominated research in medicinal chemistry. However, structure–kinetics relationships (SKR) can be very informative too. In this viewpoint we explore the molecular determinants of binding kinetics and discuss challenges for future binding kinetics studies. A scheme for future kinetics‐directed drug design and discovery is also proposed.
A Bisbenzamidine Phosphonate as a Janus‐faced Inhibitor for Trypsin‐like Serine Proteases
Authors: Häußler Daniela , Scheidt Tamara , Stirnberg Marit , Steinmetzer Torsten , Gütschow Michael 
Published: August 2015

AbstractA hybrid approach was applied for the design of an inhibitor of trypsin‐like serine proteases. Compound 16 [(R,R)‐ and (R,S)‐diphenyl (4‐(1‐(4‐amidinobenzylamino)‐1‐oxo‐3‐phenylpropan‐2‐ylcarbamoyl)phenylamino)(4‐amidinophenyl)methylphosphonate hydrochloride], prepared in a convergent synthetic procedure, possesses a phosphonate warhead prone to react with the active site serine residue in a covalent, irreversible manner. Each of the two benzamidine moieties of 16 can potentially be accommodated in the S1 pocket of the target enzyme, but only the benzamidine close to the phosphonate group would then promote an irreversible interaction. The Janus‐faced inhibitor 16 was evaluated against several serine proteases and caused a pronounced inactivation of human thrombin with a second‐order rate constant (kinac/Ki) of 59 500 M−1 s−1. With human matriptase, 16 showed preference for a reversible mode of inhibition (IC50=2.6 μM) as indicated by linear progress curves and enzyme reactivation.
Heterogeneous Nanostructures for Sodium Ion Batteries and Supercapacitors
Authors: Zhu Changrong , Yang Peihua , Chao Dongliang , Mai Wenjie , Fan Hong Jin 
Published: August 2015

AbstractHybridization of different electrode materials to yield favorable synergistic effects and enhanced function is a focus of current research in developing advanced electrochemical energy‐storage devices. This Focus Review summarizes recent progress in rational design and fabrication of advanced electrode materials with heterogeneous nanostructures and interfaces engineered on the nanometer scale. The hybridization typically involves two or more materials such as metal oxides (or sulfides, carbides, and nitrides) and various forms of nanostructured carbon materials. We focus on two devices: sodium ion batteries and supercapacitors, as well as their integration with other devices to realize multifunctional systems.
Specular gloss versus surface topography for oil‐filled nanoparticle coatings on paper
Authors: Samyn Pieter , Van Erps Jürgen , Thienpont Hugo 
Published: August 2015

AbstractThe appearance or printing quality of paper surfaces is mostly characterized by their glossiness, measured with a glossmeter as specular reflectance. The gloss properties of a base paper substrate can be improved after application of a poly(styrene‐co‐maleimide) nanoparticle coating under pure conditions or in the presence of different vegetable oils. The specular gloss properties of 11 different nanoparticle paper coatings have been determined under 75° and 85° incident light angles, with good relation between values along parallel (machine) and perpendicular (transverse) direction. The gloss properties for the different coatings have been further related to the surface topography. Therefore, the statistical and spatial surface roughness parameters have been studied in detail at two length scales including non‐contact profilometry (1 × 1 mm2) and atomic force microscopy (2 × 2 μm2). Based on values of the Rayleigh parameter for non‐contact profilometry, the surfaces can be considered as optically rough. The gloss values cannot be directly related to statistical surface roughness parameters. Otherwise, an experimental power‐law model for gloss has been proposed as a function of (β/Sq) with correlation length β and root‐mean‐square roughness Sq. A best‐fit model illustrates that gloss properties of various nanoparticle paper coatings mainly relate to the spatial surface roughness parameters determined from non‐contact profilometry. © 2015 Wiley Periodicals, Inc. Col Res Appl, 41, 596–610, 2016
Highly Oxidized Platinum Nanoparticles Prepared through Radio‐Frequency Sputtering: Thermal Stability and Reaction Probability towards CO
Authors: Svintsitskiy Dmitry A. , Kibis Lidiya S. , Stadnichenko Andrey I. , Koscheev Sergei V. , Zaikovskii Vladimir I. , Boronin Andrei I. 
Published: August 2015

AbstractPlatinum‐oxide nanoparticles were prepared through the radio‐frequency (RF) discharge sputtering of a Pt electrode in an oxygen atmosphere. The structure, particles size, electronic properties, and surface composition of the RF‐sputtered particles were studied by using transmission electron microscopy and X‐ray photoelectron spectroscopy. The application of the RF discharge method resulted in the formation of highly oxidized Pt4+ species that were stable under ultrahigh vacuum conditions up to 100 °C, indicating the capability of Pt4+–O species to play an important role in the oxidation catalysis under real conditions. The thermal stability and reaction probability of Pt4+ oxide species were analyzed and compared with those of Pt2+ species. The reaction probability of PtO2 nanoparticles at 90 °C was found to be about ten times higher than that of PtO‐like structures.
Simple Surfactant Concentration‐Dependent Shape Control of Polyhedral Fe3O4 Nanoparticles and Their Magnetic Properties
Authors: Ge Wanyin , Sato Ryota , Wu Hsin‐Lun , Teranishi Toshiharu 
Published: August 2015

AbstractThe shape and size of monodisperse Fe3O4 nanoparticles (NPs) are controlled using a chemical solution synthesis in the presence of the surfactant cetylpyridinium chloride (CPC). Cubic Fe3O4 NPs surrounded by six {100} planes are obtained in the absence of CPC. Increasing the CPC content during synthesis causes the shape of the resulting Fe3O4 NPs to change from cubic to truncated cubic, cuboctahedral, truncated octahedral, and finally octahedral. During this evolution, the predominantly exposed planes of the Fe3O4 NPs vary from {100} to {111}. The shape control results from the synergistic effect of the pyridinium cations, chloride anions, and long‐chain alkyl groups of CPC, which is confirmed by comparison with NPs synthesized in the presence of various related cationic surfactants. The size of the cubic Fe3O4 NPs can be tuned from 50 to 200 nm, by changing the concentration of oleic acid in the reaction solution. The Fe3O4 NPs exhibit shape‐dependent saturation magnetization, remanent magnetization, and coercivity.
Insights into the Complexity of Weak Intermolecular Interactions Interfering in Host–Guest Systems
Authors: Zhang Dawei , Chatelet Bastien , Serrano Eloisa , Perraud Olivier , Dutasta Jean‐Pierre , Robert Vincent , Martinez Alexandre 
Published: August 2015

AbstractThe recognition properties of heteroditopic hemicryptophane hosts towards anions, cations, and neutral pairs, combining both cation–π and anion–π interaction sites, were investigated to probe the complexity of interfering weak intermolecular interactions. It is suggested from NMR experiments, and supported by CASSCF/CASPT2 calculations, that the binding constants of anions can be modulated by a factor of up to 100 by varying the fluorination sites on the electron‐poor aromatic rings. Interestingly, this subtle chemical modification can also reverse the sign of cooperativity in ion‐pair recognition. Wavefunction calculations highlight how short‐ and long‐range interactions interfere in this recognition process, suggesting that a disruption of anion–π interactions can occur in the presence of a co‐bound cation. Such molecules can be viewed as prototypes for examining complex processes controlled by the competition of weak interactions.
Effect of Treatment Methods on Chitin Structure and Its Transformation into Nitrogen‐Containing Chemicals
Authors: Chen Xi , Gao Yongjun , Wang Lan , Chen Hongzhang , Yan Ning 
Published: August 2015

AbstractChitin treatment using different methods, including ball mill grinding, steam explosion, alkaline treatment, phosphoric acid, and ionic liquid (IL) dissolution/reprecipitation have been systematically investigated. The chitin structures were thoroughly investigated by using a series of analytical techniques, and the reactivity after each treatment was evaluated in dehydration and liquefaction reactions. The parallel studies enable direct comparisons of these methods and help to establish the structure–activity correlations. Ball mill grinding in dry mode was the most effective method, with the crystal size and the hydrogen‐bond network being the two crucial factors in enhancing the reactivity. Remarkably, the yield of 3‐acetamido‐5‐acetylfuran (3A5AF) from chitin dehydration increased to the highest amount (28.5 %) after ball mill grinding (the previous record yield was 7.5 % for untreated chitin).
Mean frequency and relative fluorescence intensity measurement of γ‐H2AX foci dose response in PBL exposed to γ‐irradiation: An inter‐ and intra‐laboratory comparison and its relevance for radiation triage
Authors: Venkateswarlu Raavi , Tamizh Selvan G. , Bhavani Manivannan , Kumar Arun , Alok Amit , Karthik Kanagaraj , Kalra Namita , Vijayalakshmi J. , Paul Solomon F. D. , Chaudhury N. K. , Venkatachalam Perumal 
Published: August 2015

AbstractMeasurement of γ‐H2AX protein changes in the peripheral blood lymphocytes (PBL) of individuals exposed to ionizing radiation is a simple, sensitive, and rapid assay for radiation triage and early marker of dose estimation. The qualitative and quantitative measurements of the protein changes were examined using flow cytometry and microscopy. Whole blood and isolated lymphocytes were exposed in vitro between 0.1 and 5 Gy doses of 60Co γ‐radiation at a dose rate of 1 Gy/min. Radiation induced γ‐H2AX foci frequency (n = 3) and relative fluorescence intensity (n = 7) in PBL was measured at 0.5 and 2 hrs postexposure. The observed dose response for γ‐H2AX foci frequency at both time points, for whole blood and isolated lymphocytes did not show any significant (P > 0.05) differences. However, when compared with γ‐H2AX foci frequency scored manually (microscopy), the semiautomated analysis (captured images) showed a better correlation (r2 = 0.918) than that obtained with automated (Metafer) scoring (r2 = 0.690). It is noteworthy to mention that, the γ‐H2AX foci frequency quantified using microscopy showed a dose dependent increase up to 2 Gy and the relative fluorescence intensity (RFI) measured with flow cytometry revealed an increase up to 5 Gy in the PBL exposed in vitro. Moreover, a better correlation was observed between the γ‐H2AX foci frequency obtained by manual scoring and RFI (r2 = 0.910). Kinetic studies showed that the γ‐H2AX foci remain more or less unchanged up to 4 hrs and reduces gradually over 48 hrs of postexposure at 37°C. Further, inter and intra‐laboratory comparisons showed consistency in the scoring of γ‐H2AX foci frequency by manual and semiautomated scoring. The overall results suggest that measurement of γ‐H2AX (microscopy and flow cytometry) should be employed within 4 to 6 hrs for a reliable dosimetry either by sharing the work load between the laboratories or investing more manpower; however, triage can be possible even up to 48 hrs of postirradiation. © 2015 International Society for Advancement of Cytometry
Secondary tumors involving the thyroid gland: A multi‐institutional analysis of 28 cases diagnosed on fine‐needle aspiration
Authors: HooKim Kim , Gaitor Jennifer , Lin Oscar , Reid Michelle D. 
Published: August 2015

BackgroundFine‐needle aspiration (FNA) is routinely used to evaluate primary thyroid lesions (PTLs), however, its role in diagnosing secondary thyroid neoplasms (STNs) has not been extensively studied. The goal was to examine the clinical and cytopathologic features of STNs diagnosed on FNA.MethodsThe clinico‐pathologic features of 28 STNs were analyzed. All PTLs, lymphomas, and locally invasive tumors were excluded.ResultsThere were 28 STNs (0.18% incidence) out of 15,800 thyroid FNAs (12 males, 16 females, 32 − 85 years), all occurring metachronously (3 weeks−20 years, average 78.3 months) comprising 24 (85.7%) metastatic carcinomas (14 [50%] renal; 4 [14.3%] head and neck squamous cell carcinomas, 3 [10.7%] breast, and 1 [3.6%] colorectal, uterine serous carcinoma, and lung adenosquamous carcinoma, respectively), 3 sarcomas (10.7%) and 1 melanoma (3.6%).ConclusionsSTNs are rare and diverse tumors which may occur decades after primary malignancy. Renal carcinomas are the most common. Prior history of malignancy, high index of suspicion, and attention to key distinguishing cytologic clues are critical for accurate diagnosis. Diagn. Cytopathol. 2015;43:904–911. © 2015 Wiley Periodicals, Inc.
Effects of landscape matrix on population connectivity of an arboreal mammal, Petaurus breviceps
Authors: Malekian Mansoureh , Cooper Steven J. B. , Saint Kathleen M. , Lancaster Melanie L. , Taylor Andrea C. , Carthew Susan M. 
Published: August 2015

AbstractOngoing habitat loss and fragmentation is considered a threat to biodiversity as it can create small, isolated populations that are at increased risk of extinction. Tree‐dependent species are predicted to be highly sensitive to forest and woodland loss and fragmentation, but few studies have tested the influence of different types of landscape matrix on gene flow and population structure of arboreal species. Here, we examine the effects of landscape matrix on population structure of the sugar glider (Petaurus breviceps) in a fragmented landscape in southeastern South Australia. We collected 250 individuals across 12 native Eucalyptus forest remnants surrounded by cleared agricultural land or exotic Pinus radiata plantations and a large continuous eucalypt forest. Fifteen microsatellite loci were genotyped and analyzed to infer levels of population differentiation and dispersal. Genetic differentiation among most forest patches was evident. We found evidence for female philopatry and restricted dispersal distances for females relative to males, suggesting there is male‐biased dispersal. Among the environmental variables, spatial variables including geographic location, minimum distance to neighboring patch, and degree of isolation were the most important in explaining genetic variation. The permeability of a cleared agricultural matrix to dispersing gliders was significantly higher than that of a pine matrix, with the gliders dispersing shorter distances across the latter. Our results added to previous findings for other species of restricted dispersal and connectivity due to habitat fragmentation in the same region, providing valuable information for the development of strategies to improve the connectivity of populations in the future.
Cuticular waxes in alpine meadow plants: climate effect inferred from latitude gradient in Qinghai‐Tibetan Plateau
Authors: Guo Yanjun , Guo Na , He Yuji , Gao Jianhua 
Published: August 2015

AbstractAlpine meadow ecosystems are susceptible to climate changes. Still, climate impact on cuticular wax in alpine meadow plants is poorly understood. Assessing the variations of cuticular wax in alpine meadow plants across different latitudes might be useful for predicting how they may respond to climate change. We studied nine alpine meadows in a climate gradient in the east side of Qinghai‐Tibetan Plateau, with mean annual temperature ranging from −7.7 to 3.2°C. In total, 42 plant species were analyzed for cuticular wax, averaged 16 plant species in each meadow. Only four plant species could be observed in all sampling meadows, including Kobresia humilis, Potentilla nivea, Anaphalis lacteal, and Leontopodium nanum. The amounts of wax compositions and total cuticular wax in the four plant species varied among sampling meadows, but no significant correlation could be observed between them and temperature, precipitation, and aridity index based on plant species level. To analyze the variations of cuticular wax on community level, we averaged the amounts of n‐alkanes, aliphatic acids, primary alcohols, and total cuticular wax across all investigated plant species in each sampling site. The mean annual temperature, mean temperature in July, and aridity index were significantly correlated with the averaged amounts of wax compositions and total cuticular wax. The average chain length of n‐alkanes in both plant and soil linearly increased with increased temperature, whereas reduced with increased aridity index. No significant correlation could be observed between mean annual precipitation and mean precipitation from June to August and the cuticular wax amounts and average chain length. Our results suggest that the survival of some alpine plants in specific environments might be depended on their abilities in adjusting wax deposition on plant leaves, and the alpine meadow plants as a whole respond to climate change, benefiting the stability of alpine meadow ecosystem.
Towards Sustainable Agriculture? The EU framework and local adaptation in Sweden and Poland
Authors: Öhlund Erika , Zurek Karolina , Hammer Monica 
Published: August 2015

AbstractAgricultural systems can be seen as nested social–ecological systems. European Union (EU) Member States vary considerably in terms of their agricultural, socio‐economic and environmental circumstances. Yet, as participants in the common agricultural market, they are subject to a uniform Common Agricultural Policy (CAP). An important question is whether there is enough room for flexibility to sustain diverse agricultural systems and facilitate national targeting of sustainability‐promoting measures. This article analyses the institutional arrangements concerning cross‐scale interactions and interdependencies at national and regional (EU) levels, focusing on how Poland and Sweden implement CAP funds in relation to sustainable agriculture, in particular the agri‐environmental schemes, for the period 2007–2013. What room is there in practice for accommodating national differences and sustainability priorities offered by the EU agricultural policy, and how are the existing opportunities used by the two countries? It is shown that agri‐environmental funds are too small to prevent transition towards large‐scale farming in new Member States and CAP does not effectively promote transformation towards sustainable practices in the EU. Copyright © 2015 John Wiley & Sons, Ltd and ERP Environment
Knowledge in Climate Policy Integration: How non‐governmental organizations re‐frame the sciences of indirect land‐use changes for policy‐makers
Authors: Humalisto Niko Heikki 
Published: August 2015

AbstractIn political debates about indirect land‐use changes (iLUCs) caused by biofuel development, environmental non‐governmental organizations (ENGOs) have demanded that the formulation of policies should be based on scientific evidence. However, scientific knowledge cannot become the basis of climate policy integration without agency input. Against this backdrop, this article analyses how the characterization of iLUCs alters as ENGOs mediate the knowledge of iLUC‐associated research into European Union (EU) policy‐making. After outlining the methodology of the frame analysis, I demonstrate how the different fields of scientific inquiry characterize iLUCs as contingent, uncertain and diverse. However, ENGOs re‐frame this phenomenon as determined, certain and unified. ENGOs transform the complexity of iLUCs into a form that is compatible with the EU's modality of approaching biofuels as a question of the decarbonization of transport. Finally, there was an opportunity through appraising iLUCs to revisit the criticized governance of biofuels, but which was not grasped by the EU. Copyright © 2015 John Wiley & Sons, Ltd and ERP Environment
The influence of aggregate type on the physical and mechanical properties of high‐performance concrete subjected to high temperature
Authors: Hager Izabela , Tracz Tomasz , Śliwiński Jacek , Krzemień Katarzyna 
Published: August 2015

SummaryThis paper presents the results of an experimental study on the behaviour of high‐performance concretes after high temperature exposure. The high temperature exposure is related to the potential risk of fire, and mechanical properties analysis is needed afterwards to assess the residual strength of the material. The results presented in the paper show the properties evolution of four concretes made with four different aggregate types: basalt, granite, dolomite and riverbed gravel. The mix compositions allow comparisons, because the cement paste and mortar compositions and their volumes remain the same for all the four concretes. Moreover, the aggregate particle size distribution was chosen to be quasi identical so that this factor does not affect the concrete behaviour. The decrease of tensile strength value with the increase of temperature is more pronounced than compressive strength reduction thus, the exponential and power function equations were proposed to describe ftT–fcT relationship. The change of modulus of elasticity in relative values is similar, although the initial values of modulus are different and correspond to the aggregate type. Copyright © 2015 John Wiley & Sons, Ltd.