bluuebunny/crossref_metadata_2025_split huggingface dataset:
Controlling Selective Doping and Energy Transfer between Transition Metal and Rare Earth Ions in Nanostructured Glassy Solids
Authors: Gao Zhigang , Guo Shu , Lu Xiaosong , Orava Jiri , Wagner Tomas , Zheng Lirong , Liu Yinyao , Sun Shiyu , He Fei , Yang Piaoping , Ren Jing , Yang Jun 
Published: April 2018

AbstractSelective doping of optically active ions into the nanocrystalline phase(s) of glass ceramics is of interest for photoluminescence (PL) applications to control the energy transfer (ET) processes between dopants on the nanometer length scale. Here, the focus is on explaining the essential knowledge of the distribution of two groups of active ions: transition metal (Ni2+ and Cr3+) and rare earth (Yb3+ and Er3+) ions, which are doped into i) single‐phase Ga2O3 and ii) dual‐phase Ga2O3 and YF3 nanocrystals (NCs). These NCs are obtained by thermally crystallizing ternary silicate‐ and quinary fluorosilicate‐based glasses, respectively. It is found that the two types of active ions can successfully be doped into Ga2O3 NCs, resulting in enhanced ET between the dopants because of the small separation distance of, e.g., <10 Å, whereas ET is significantly suppressed when Ga2O3 and YF3 NCs are coprecipitated. In this case, the studied rare earth ions have a high propensity for being selectively doped in YF3 NCs. The studied transition‐metal ions can always be found in Ga2O3 NCs irrespective of the presence of the fluoride phase. The selective doping and the ET between the two types of active ions can be controlled simultaneously on annealing. This may allow for the achievement of diverse PL properties, such as ultrabroadband near‐infrared and upconversion‐mediated Stokes emissions.
Iridium‐Catalyzed Annulation Reactions of Thiophenes with Carboxylic Acids: Direct Evidence for a Heck‐type Pathway
Authors: Tan Guangying , You Qiulin , Lan Jingbo , You Jingsong 
Published: April 2018

AbstractThe functionalization of thiophenes is a fundamental and important reaction. Herein, we disclose iridium‐catalyzed one‐pot annulation reactions of (benzo)thiophenes with (hetero)aromatic or α,β‐unsaturated carboxylic acids, which afford thiophene‐fused coumarin‐type frameworks. Dearomatization reactions of 2‐substituted thiophenes with α,β‐unsaturated carboxylic acids deliver various thiophene‐containing spirocyclic products. The occurrence of two interconnected reactions provides direct evidence for a Heck‐type pathway. The mechanistic scenario described herein is distinctly different from the SEAr and concerted metalation–protodemetalation (CMD) pathways encountered in the well‐described oxidative C−H/C−H cross‐coupling reactions of thiophenes with other heteroarenes.
Divergent Control of Point and Axial Stereogenicity: Catalytic Enantioselective C−N Bond‐Forming Cross‐Coupling and Catalyst‐Controlled Atroposelective Cyclodehydration
Authors: Kwon Yongseok , Chinn Alex J. , Kim Byoungmoo , Miller Scott J. 
Published: April 2018

AbstractCatalyst control over reactions that produce multiple stereoisomers is a challenge in synthesis. Control over reactions that involve stereogenic elements remote from one another is particularly uncommon. Additionally, catalytic reactions that address both stereogenic carbon centers and an element of axial chirality are also rare. Reported herein is a catalytic approach to each stereoisomer of a scaffold containing a stereogenic center remote from an axis of chirality. Newly developed peptidyl copper complexes catalyze an unprecedented remote desymmetrization involving enantioselective C−N bond‐forming cross‐coupling. Then, chiral phosphoric acid catalysts set an axis of chirality through an unprecedented atroposelective cyclodehydration to form a heterocycle with high diastereoselectivity. The application of chiral copper complexes and phosphoric acids provides access to each stereoisomer of a framework with two different elements of stereogenicity.
A Biomimetic Nickel Complex with a Reduced CO2 Ligand Generated by Formate Deprotonation and Its Behaviour towards CO2
Authors: Zimmermann Philipp , Hoof Santina , Braun‐Cula Beatrice , Herwig Christian , Limberg Christian 
Published: April 2018

AbstractReduced CO2 species are key intermediates in a variety of natural and synthetic processes. In the majority of systems, however, they elude isolation or characterisation owing to high reactivity or limited accessibility (heterogeneous systems), and their formulations thus often remain uncertain or are based on calculations only. We herein report on a Ni−CO22− complex that is unique in many ways. While its structural and electronic features help understand the CO2‐bound state in Ni,Fe carbon monoxide dehydrogenases, its reactivity sheds light on how CO2 can be converted into CO/CO32− by nickel complexes. In addition, the complex was generated by a rare example of formate β‐deprotonation, a mechanistic step relevant to the nickel‐catalysed conversion of HxCOyz− at electrodes and formate oxidation in formate dehydrogenases.
Non‐covalent interactions of pyrene end‐labeled star poly(ɛ‐caprolactone)s with fullerene
Authors: Uner Ahmet , Doganci Erdinc , Tasdelen M. Atilla 
Published: April 2018

ABSTRACTPyrene end‐labeled star poly(ɛ‐caprolactone)s (PCLs) with polyhedral oligomeric silsesquioxane (POSS) core were prepared by combination of copper(I)‐catalyzed azide–alkyne cycloaddition (CuAAC) click chemistry and ring‐opening polymerization techniques. First, ɛ‐caprolactone (ɛ‐CL) is polymerized by using 1‐pyrene methanol as initiator and stannous octoate as catalyst to obtain α‐pyrene‐ω‐hydroxyl telechelic PCL with different chain lengths. Then, its hydroxyl group is converted to acetylene functionality by esterification reaction with propargyl chloroformate. Finally, the CuAAC click reaction of α‐pyrene‐ω‐acetylene telechelic PCL with POSS‐(N3)8 leads to corresponding pyrene end‐labeled star‐shaped PCLs. The successful synthesis of pyrene end‐labeled star polymers is clearly confirmed by 1H‐nuclear magnetic resonance, Fourier transform infrared, gel permeation chromatograph, differential scanning calorimeter, and thermogravimetric analysis. Furthermore, non‐covalent interactions of obtained star polymers with fullerene are investigated in liquid media. Based on Raman spectroscopy and visual investigations, the star polymer having shorter chain length exhibited better and more stable dispersion with fullerene. The amount of pyrene units present per polymer chains can directly influence the dispersion stability of fullerene. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46520.
Chemically modified cellulose nanofibril as an additive for two‐component polyurethane coatings
Authors: Virtanen Sanna , Jämsä Saila , Talja Riku , Heikkinen Harri , Vuoti Sauli 
Published: April 2018

[Article in J. Appl. Polym. Sci. 2017, 134, DOI: 10.1002/app.44801]In the article mentioned above, the authors wish to acknowledge that all experimental work presented in this paper was conducted at VTT.The authors apologize for any inconvenience caused.
Empathy and face processing in adults with and without autism spectrum disorder
Authors: Rigby Sarah N. , Stoesz Brenda M. , Jakobson Lorna S. 
Published: April 2018

Many factors contribute to social difficulties in individuals with autism spectrum disorder (ASD). The goal of the present work was to determine whether atypicalities in how individuals with ASD process static, socially engaging faces persist when nonrigid facial motion cues are present. We also sought to explore the relationships between various face processing abilities and individual differences in autism symptom severity and traits such as empathy. Participants included 16 adults with ASD without intellectual impairment and 16 sex‐ and age‐matched controls. Mean Verbal IQ was comparable across groups [t(30) = 0.70, P = 0.49]. The two groups responded similarly to many of the experimental manipulations; however, relative to controls, participants with ASD responded more slowly to dynamic expressive faces, even when no judgment was required; were less accurate at identity matching with static and dynamic faces; and needed more time to make identity and expression judgments [F(1, 30) ≥ 6.37, P ≤ 0.017, ηp2 ≥ 0.175 in all cases], particularly when the faces were moving [F(1, 30) = 3.40, P = 0.072, ηp2 = 0.104]. In the full sample, as social autistic traits increased and empathic skills declined, participants needed more time to judge static identity, and static or dynamic expressions [0.43 < |rs| < 0.56]. The results suggest that adults with ASD show general impairments in face and motion processing and support the view that an examination of individual variation in particular personality traits and abilities is important for advancing our understanding of face perception. Autism Res 2018, 11: 942–955. © 2018 International Society for Autism Research, Wiley Periodicals, Inc.Lay SummaryOur findings suggest that people with ASD have problems processing expressive faces, especially when seen in motion. It is important to learn who is most at risk for face processing problems, given that in the general population such problems appear to be linked to impaired social skills and empathy. By studying relationships between different abilities and traits, we may be able to find better ways to diagnose and support all people on the autism spectrum.
Aggregation‐induced emission enhancement of anthracene‐derived Schiff base compounds and their application as a sensor for bovine serum albumin and optical cell imaging
Authors: Densil Simon , Chang Chien‐Huei , Chen Chia‐Ling , Mathavan Alagarsamy , Ramdass Arumugam , Sathish Veerasamy , Thanasekaran Pounraj , Li Wen‐Shan , Rajagopal Seenivasan 
Published: April 2018

AbstractThree anthracene‐based Schiff base complexes, R1–R3 (R1 = (E)‐N´‐((anthracen‐10‐yl)methylene)benzohydrazide; R2 = (E)‐1‐((anthracen‐10‐yl)methylene)‐4‐phenylsemicarbazide; and R3 = (E)‐1‐((anthracen‐10‐yl)methylene)‐4‐phenylthiosemicarbazide) were synthesized from 9‐anthracenecarboxaldehyde, benzohydrazide, 4‐phenylsemicarbazide and 4‐phenylthiosemi‐carbazide respectively, and characterized by various spectral techniques. The absorption spectral characteristics of R1–R3 were bathochromically tuned to the visible region by extending the π conjugation. These target compounds were weakly fluorescent in tetrahydrofuran (THF) solution because of rapid isomerization of the C=N double bond in the excited state. However, the aqueous dispersion of R1–R3 in the THF/water mixture by the gradual addition of water up to 90% resulted in an increase in the fluorescence intensity mainly due to aggregation‐induced emission enhancement (AIEE) properties. The formation of nanoaggregates of R1–R3 were confirmed by scanning electron microscopy (SEM) and atomic force microscopy (AFM) techniques. The compounds R1–R3 are ideal probes for the fluorescence sensing of bovine serum albumin (BSA) and breast cancer cells by optical cell imaging.
Multiclass partial least squares discriminant analysis: Taking the right way—A critical tutorial
Authors: Pomerantsev Alexey L. , Rodionova Oxana Ye. 
Published: April 2018

AbstractHere, the theory of the multi‐class partial least squares discriminant analysis (PLS‐DA) is presented. A distinct feature of this theory is that it does not utilize PLS scores but is entirely based on the predicted dummy responses. It is shown that the results of the multi‐class PLS‐DA can be presented in a straightforward way by projecting the response matrix on the “super‐score” space by means of principal component analysis. Two approaches to discrimination are considered: the hard and the soft way of allocation. Correspondingly, 2 versions of PLS‐DA are presented: the conventional hard PLS‐DA, and the newly introduced soft PLS‐DA that seems to be a novel approach in chemometrics. The quality of classification is assessed using the figures of merit (sensitivity, specificity, and efficiency). It is shown how these characteristics are used for the selection of the model complexity. A number of practical problems are investigated, such as unbalanced sizes of classes, comparison of the discriminant and the class‐modeling methods and authentication by the “one against all” strategy. The paper is illustrated by real‐world and simulated examples.
Hydrogen Evolution Reactions Catalyzed by a Bis(thiosemicarbazone) Cobalt Complex: An Experimental and Theoretical Study
Authors: Straistari Tatiana , Hardré Renaud , Fize Jennifer , Shova Sergiu , Giorgi Michel , Réglier Marius , Artero Vincent , Orio Maylis 
Published: April 2018

AbstractThe synthesis and characterization of a dinuclear bis(thiosemicarbazone) cobalt complex [Co2L2(NCS)2] is reported. This complex exhibits significant catalytic activity for hydrogen production in DMF by using triethylammonium (Et3NHBF4) as the proton source. Cyclic voltammetry data allowed a maximum turnover frequency of 130 s−1 for 1 m proton concentration to be determined. The catalytic nature of the process and the production of dihydrogen were confirmed by gas analysis during controlled potential electrolysis experiments. Quantum chemical calculations show that the complex displays a ligand‐assisted metal‐centered reactivity and supports a catalytic mechanism involving ligand‐based reduction and protonation steps followed by metal‐centered processes.
Synthesis and Biological Evaluation of Indole‐2‐carbohydrazide Derivatives as Anticancer Agents with Anti‐angiogenic and Antiproliferative Activities
Authors: Zhang Jianqiang , Liu Tongyang , Chen Mei , Liu Feifei , Liu Xingyuan , Zhang Jihong , Lin Jun , Jin Yi 
Published: April 2018

AbstractA novel series of indole‐2‐carbohydrazide derivatives were synthesized, characterized, and evaluated for their antiproliferative activities against two cancer cell lines, HCT116 and SW480, and a normal human fetal lung fibroblast cell line, MRC‐5. Among this series, compound 24 f displayed potent cytotoxic activities in vitro against HCT116 and SW480 cell lines with GI50 values of 8.1 and 7.9 μm, respectively, and was inactive against MRC‐5 cells. The newly synthesized compounds were also evaluated for anti‐angiogenesis capabilities by chick chorioallantoic membrane, human umbilical vein endothelial cell (HUVEC) migration, and endothelial microtubule formation assays. Moreover, the effects of 24 f on the vascular endothelial growth factor receptor‐2 and the signaling pathway in HUVECs indicated that this compound inhibits VEGFR‐2 and its downstream related proteins. These results indicate that compound 24 f, as well as the other derivatives, are promising inhibitors of angiogenesis.
Outcomes after primary intensity‐modulated radiation therapy for oropharyngeal squamous cell carcinoma at a New Zealand regional cancer centre: Impact of p16 status
Authors: Maqsood Saad , Jameson Michael B. , De Groot Charles , Hartopeanu Cristian , Yasin Nur Azri Bin Haji Mohd , Thotathil Ziad 
Published: April 2018

AbstractIntroductionThe rising incidence of oropharyngeal squamous cell carcinoma (OPSCC) in New Zealand is due to an increase in the numbers of human papilloma virus (HPV)–associated OPSCC. We evaluated the impact of positive p16 immunohistochemistry, as a surrogate for HPV positivity, on OPSCC outcomes after primary intensity‐modulated radiotherapy (IMRT) with or without concurrent chemotherapy.MethodsRetrospective review was undertaken of electronic medical records of 90 patients with OPSCC who received primary IMRT with or without chemotherapy between 2008 and mid‐2015 at the Regional Cancer Centre, Waikato Hospital, Hamilton, New Zealand.ResultsMedian age was 57.5 years. Immunohistochemistry for p16 was positive in 53 (59%) OPSCC while 37 (41%) had negative or unknown p16 status. Median radiotherapy dose was 70 Gy. Chemotherapy was administered to 78 (87%) patients, most receiving high‐dose cisplatin. Nine patients had residual disease following treatment completion. Seven patients relapsed, and 26 died during the study period. Five patients with p16‐positive OPSCC had persistent or recurrent disease. Actuarial 3‐year locoregional control, disease‐free survival, and overall survival for all patients were 80.7%, 74.7%, and 77.1%, respectively. Among p16‐positive OPSCC patients, 3‐year locoregional control, disease‐free survival, and overall survival were 89.5%, 80.8%, and 90.9%, respectively.ConclusionOutcomes after IMRT for OPSCC at Waikato Hospital are in line with the reported literature. Human papilloma virus–related OPSCC has better outcomes compared with patients with unknown or HPV‐unrelated OPSCC. Trials are underway evaluating reduced intensity of treatment for HPV‐related OPSCC.
Approximation of General Facets by Regular Facets with Respect to Anisotropic Total Variation Energies and Its Application to Crystalline Mean Curvature Flow
Authors: Giga Yoshikazu , Požár Norbert 
Published: April 2018

AbstractWe show that every bounded subset of a euclidean space can be approximated by a set that admits a certain vector field, the so‐called Cahn‐Hoffman vector field, that is subordinate to a given anisotropic metric and has a square‐integrable divergence. More generally, we introduce a concept of facets as a kind of directed sets, and show that they can be approximated in a similar manner.We use this approximation to construct test functions necessary to prove the comparison principle for viscosity solutions of the level set formulation of the crystalline mean curvature flow that were recently introduced by the authors. As a consequence, we obtain the well‐posedness of the viscosity solutions in an arbitrary dimension, which extends the validity of the result in the previous paper.© 2018 Wiley Periodicals, Inc.
Multivalent Dendrimers and their Differential Recognition of Short Single‐Stranded DNAs of Various Length and Sequence
Authors: Zhang Yan , Petit Eddy , Barboiu Mihail 
Published: April 2018

AbstractPolycationic dendrimers were generated through simple and versatile reversible amine/aldehyde–imine chemistry. The inherent CD spectroscopic signal arising from the helical structures of single‐stranded DNA (ssDNA) undergoes a dramatic amplification in the presence of the synthesised polycationic dendrimers. Compared to the first‐generation core molecule, the second‐generation dendrimer shows high spectroscopic responses upon chiral recognition of short ssDNA, owing to the combination of self‐assembly and multivalency effects. The maximum signal variation is reached at the molar ratio at which the ratio between the negative charges in ssDNA balance the positive charges of the dendrimers, thus the approach enables differential recognition of ssDNAs of different lengths. Altogether, these results accelerate the simple and systematic discovery of efficient adaptive molecules for biomimetic recognition of ssDNA with high accuracy.
The influence of war on moral judgments about harm
Authors: Watkins Hanne M. , Laham Simon 
Published: April 2018

AbstractHow does war influence moral judgments about harm? While the general rule is “thou shalt not kill,” war appears to provide an exception to the moral prohibition on intentional harm. In three studies (n = 263,n = 557,n = 793), we quantify the difference in moral judgments across peace and war contexts, and explore two possible explanations for the difference. The findings demonstrate that third‐party observers judge a trade‐off of one life for five as more morally acceptable in war than in peace, especially if the one person is from an outgroup of the person making the trade‐off. In addition, the robust difference in moral judgments across “switch” and “footbridge” trolley problems is attenuated in war compared to in peace. The present studies have implications for moral psychology researchers who use war‐based scenarios to study broader cognitive or affective processes. If the war context changes judgments of moral scenarios by triggering group‐based reasoning or altering the perceived structure of the moral event, using such scenarios to make decontextualized claims about moral judgment may not be warranted.
Facile Synthesis of Carbon‐Coated Li3VO4 Anode Material and its Application in Full Cells
Authors: Wang Xueting , Qin Bin , Sui Dong , Sun Zhenhe , Zhou Ying , Zhang Hongtao , Chen Yongsheng 
Published: April 2018

AbstractLi3VO4 is a promising anode material for lithium‐ion batteries, but suffers from low electronic conductivity. Here we demonstrated a facile solid‐state method to synthesize carbon‐coated Li3VO4 (LVO/C) to enhance its electronic conductivity and electrochemical performance. The LVO/C composites exhibit preferable specific capacity, desirable cycle performance and suitable rate performance than the carbon‐free Li3VO4. A high reversible capacity of 456 mAh/g and 400 mAh/g can be maintained up to 100 cycles and 500 cycles at 1 C (92.2 % and 80 % retention of the second cycle of discharge capacity, respectively). Coupled with conventional cathodes, the fabricated full cells can deliver higher energy density than their commercial counterparts using Li4Ti5O12 anodes and exhibit much more stable cycle performance than full cells using graphite anodes. The LiFePO4‐LVO/C full cell delivers an excellent cycling stability with capacity retention of 99 % vs. the second cycle after 100 cycles at 1 C. The LiNi0.8Co0.1Mn0.1O2‐LVO/C full cell delivers a maximum energy density of about 300 Wh/kg.
Forecasting US GNP growth: The role of uncertainty
Authors: Segnon Mawuli , Gupta Rangan , Bekiros Stelios , Wohar Mark E. 
Published: April 2018

AbstractA large number of models have been developed in the literature to analyze and forecast changes in output dynamics. The objective of this paper was to compare the predictive ability of univariate and bivariate models, in terms of forecasting US gross national product (GNP) growth at different forecasting horizons, with the bivariate models containing information on a measure of economic uncertainty. Based on point and density forecast accuracy measures, as well as on equal predictive ability (EPA) and superior predictive ability (SPA) tests, we evaluate the relative forecasting performance of different model specifications over the quarterly period of 1919:Q2 until 2014:Q4. We find that the economic policy uncertainty (EPU) index should improve the accuracy of US GNP growth forecasts in bivariate models. We also find that the EPU exhibits similar forecasting ability to the term spread and outperforms other uncertainty measures such as the volatility index and geopolitical risk in predicting US recessions. While the Markov switching time‐varying parameter vector autoregressive model yields the lowest values for the root mean squared error in most cases, we observe relatively low values for the log predictive density score, when using the Bayesian vector regression model with stochastic volatility. More importantly, our results highlight the importance of uncertainty in forecasting US GNP growth rates.