bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, Characterization and Catalytic Activity of Quadruple Perovskite: CaCu3‐xMnxTi4‐xMnxO12 (x=0, 0.5 and 1.0)
Authors: Pal Kamalesh , Dey Arka , Ray Partha P. , Mordvinova Natalia E. , Lebedev Oleg I. , Mandal Tapas K. , Seikh Md Motin , Gayen Arup 
Published: January 2018

AbstractWe report the low temperature synthesis of nanosized CaCu3‐xMnxTi4‐xMnxO12 (x= 0, 0.5 and 1.0) quadruple perovskites and their magnetic, dielectric and catalytic performance towards CO oxidation and methanol steam reforming (MSR). Our investigations reveal the pronounced effects of particle size and chemical substitution on all the physical properties reported here. The manganese doped samples exhibit remarkable change in magnetic properties, where antiferromagnetic pristine phase converted to ferrimagnetic phase for x=1. The dielectric constant values of the cold‐pressed nanosized perovskites are ∼103 and follows Maxwell‐Wagner type relaxation. This value is about 100 fold lower than that of the bulk samples that has been ascribed to the effect of particle size and the absence of nano‐twinning in the material as revealed from HRTEM studies. The doping of manganese further reduces the magnitude of dielectric value, which is the chemical effect. Mn‐doped samples show greater catalytic activity compared to the pristine sample towards CO oxidation due to a synergistic Cu−Mn interaction. The catalytic performance of these oxides for MSR reaction is intriguing. Although the catalyst undergoes decomposition in the MSR atmosphere causing a decrease in methanol conversion during time‐on‐stream (TOS) tests, the activity can be regenerated by in‐situ or ex‐situ annealing in air. The notable catalytic activity and reversibility between pristine and decomposed form are very interesting.
Molecule and Synthesis Design of a Family of High Energy Density Materials Based on “565” Chemical Structure
Authors: Jin Xinghui , Wang Ling , Tan Ying , Ren Jing , Wang Zhongmin , Liu Yuling , Wang Luyao , Zhou Jianhua , Hu Bingcheng 
Published: January 2018

AbstractA family of high energy density materials based on “565” chemical structure were designed and the spatial structure, heat of formation, detonation velocity, detonation pressure and sensitivity of each compound were investigated systematically by density functional theory. The results show that all the designed molecules possess high positive heat of formation (from 336.8 to 4135.7 kJ mol−1) and moderate detonation properties (detonation velocities range from 6.15 to 11.69 km s−1 and detonation pressures range from 16.4 to 68.28 GPa). Based on the values of detonation properties, impact sensitivities (range from 6.8 to 54.3 cm) and bond dissociation energies (range from 30.7 to 402.6 kJ mol−1), compounds A1, A2, A4 and B4 were selected as the potential high energy density materials. Then frontier molecular orbital, electrostatic potential on the surface and thermal dynamic parameters of these selected molecules were simulated to give a better understanding of their chemical and physical properties. Also, a reasonable synthetic path of the selected molecules were provided for further experimental synthesis and testing.
One‐Way Particle Transport Using Oscillatory Flow in Asymmetric Traps
Authors: Lee Jaesung , Burns Mark A. 
Published: January 2018

AbstractOne challenge of integrating of passive, microparticles manipulation techniques into multifunctional microfluidic devices is coupling the continuous‐flow format of most systems with the often batch‐type operation of particle separation systems. Here, a passive fluidic technique—one‐way particle transport—that can conduct microparticle operations in a closed fluidic circuit is presented. Exploiting pass/capture interactions between microparticles and asymmetric traps, this technique accomplishes a net displacement of particles in an oscillatory flow field. One‐way particle transport is achieved through four kinds of trap–particle interactions: mechanical capture of the particle, asymmetric interactions between the trap and the particle, physical collision of the particle with an obstacle, and lateral shift of the particle into a particle–trapping stream. The critical dimensions for those four conditions are found by numerically solving analytical mass balance equations formulated using the characteristics of the flow field in periodic obstacle arrays. Visual observation of experimental trap–particle dynamics in low Reynolds number flow (<0.01) confirms the validity of the theoretical predictions. This technique can transport hundreds of microparticles across trap rows in only a few fluid oscillations (<500 ms per oscillation) and separate particles by their size differences.
Sb Incorporation in Wurtzite and Zinc Blende InAs1−xSbx Branches on InAs Template Nanowires
Authors: Dahl Magnus , Namazi Luna , Zamani Reza R. , Dick Kimberly A. 
Published: January 2018

AbstractThe physical properties of material largely depend on their crystal structure. Nanowire growth is an important method for attaining metastable crystal structures in III–V semiconductors, giving access to advantageous electronic and surface properties. Antimonides are an exception, as growing metastable wurtzite structure has proven to be challenging. As a result, the properties of these materials remain unknown. One promising means of accessing wurtzite antimonides is to use a wurtzite template to facilitate their growth. Here, a template technique using branched nanowire growth for realizing wurtzite antimonide material is demonstrated. On wurtzite InAs trunks, InAs1−xSbx branch nanowires at different Sb vapor phase compositions are grown. For comparison, branches on zinc blende nanowire trunks are also grown under identical conditions. Studying the crystal structure and the material composition of the grown branches at different xv shows that the Sb incorporation is higher in zinc blende than in wurtzite. Branches grown on wurtzite trunks are usually correlated with stacking defects in the trunk, leading to the emergence of a zinc blende segment of higher Sb content growing parallel to the wurtzite structure within a branch. However, the average amount of Sb incorporated within the branch is determined by the vapor phase composition.
Ophthalmic artery Doppler for prediction of pre‐eclampsia: systematic review and meta‐analysis
Authors: Kalafat E. , Laoreti A. , Khalil A. , Da Silva Costa F. , Thilaganathan B. 
Published: January 2018

ABSTRACTObjectiveTo determine the accuracy of ophthalmic artery Doppler in pregnancy for the prediction of pre‐eclampsia (PE).MethodsMEDLINE, EMBASE, CINAHL and The Cochrane Library were searched for relevant citations without language restrictions. Two reviewers independently selected studies that evaluated the accuracy of ophthalmic artery Doppler to predict the development of PE and extracted data to construct 2 × 2 tables. Individual patient data were obtained from the authors if available. A bivariate random‐effects model was used for the quantitative synthesis of data. Logistic regression analysis was employed to generate receiver–operating characteristics (ROC) curves and obtain optimal cut‐offs for each investigated parameter, and a bivariate analysis was employed using predetermined cut‐offs to obtain sensitivity and specificity values and generate summary ROC curves.ResultsA total of 87 citations matched the search criteria of which three studies, involving 1119 pregnancies, were included in the analysis. All included studies had clear description of the index and reference tests, avoidance of verification bias and adequate follow‐up. Individual patient data were obtained for all three included studies. First diastolic peak velocity of ophthalmic artery Doppler at a cut‐off of 23.3 cm/s showed modest sensitivity (61.0%; 95% CI, 44.2–76.1%) and specificity (73.2%; 95% CI, 66.9–78.7%) for the prediction of early‐onset PE (area under the ROC curve (AUC), 0.68; 95% CI, 0.61–0.76). The first diastolic peak velocity had a much lower sensitivity (39.0%; 95% CI, 20.6–61.0%), a similar specificity (73.2%; 95% CI, 66.9–78.7%) and a lower AUC (0.58; CI, 0.52–0.65) for the prediction of late‐onset PE. The pulsatility index of the ophthalmic artery did not show a clinically useful sensitivity or specificity at any cut‐off for early‐ or late‐onset PE. Peak ratio above 0.65 showed a similar diagnostic accuracy to that of the first diastolic peak velocity with an AUC of 0.67 (95% CI, 0.58–0.77) for early‐onset PE and 0.57 (95% CI, 0.51–0.63) for late‐onset disease.ConclusionsOphthalmic artery Doppler is a simple, accurate and objective technique with a standalone predictive value for the development of early‐onset PE equivalent to that of uterine artery Doppler evaluation. The relationship between ophthalmic Doppler indices and PE cannot be a consequence of trophoblast invasion and may be related to maternal hemodynamic adaptation to pregnancy. The findings of this review justify efforts to elucidate the effectiveness and underlying mechanism whereby two seemingly unrelated maternal vessels can be used for the prediction of a disease considered a ‘placental disorder’. Copyright © 2018 ISUOG. Published by John Wiley & Sons Ltd.
Cost‐Effectiveness of Minimally Invasive Esophagectomy for Esophageal Squamous Cell Carcinoma
Authors: Liu Chao‐Yu , Lin Chen‐Sung , Shih Chih‐Shiun , Huang Yuh‐An , Liu Chia‐Chuan , Cheng Chih‐Tao 
Published: January 2018

AbstractIntroductionThe cost‐effectiveness of minimally invasive esophagectomy (MIE) versus open esophagectomy (OE) for esophageal squamous cell carcinoma (ESCC) has not been established. Recent cost studies have shown that MIE is associated with a higher surgical expense, which is not consistently offset by savings through expedited post‐operative recovery, therefore suggesting a questionable benefit of MIE over OE from an economic point of view. In the current study, we compared the cost‐effectiveness of MIE versus OE for ESCC.Materials and methodsBetween April 2000 and December 2013, a total of 251 consecutive patients undergoing MIE or OE for ESCC were enrolled. After propensity score (PS)‐matching the MIE group with the OE group for clinical characteristics, 95 patients from each group were enrolled to compare the peri‐operative outcomes, long‐term survival, and cost.ResultsAfter PS‐matching, the baseline characteristics were not significantly different between groups. Perioperative outcomes were similar in both groups. MIE was superior to OE with respect to a shorter intensive care unit (ICU) stay, while the complication rate (except for hoarseness) and survival were similar. Post‐operative cost was significantly less in the MIE group due to a shorter ICU stay; however, reduced post‐operative cost failed to offset the higher surgical expense of MIE.ConclusionsMIE for ESCC failed to show cost‐effectiveness regarding overall expense in our study, but costs less in the postoperative care, especially for ICU care. More cost studies on MIE in other health care systems are warranted to verify the cost‐effectiveness of MIE.
MOTIVATION AS QUALITY
Authors: Papi Mostafa 
Published: January 2018

AbstractThe study examined the predictions of regulatory fit theory (Higgins, 2000) in relation to task-based incidental vocabulary learning. A total of 189 English as a second language learners completed a vocabulary pretest, a regulatory focus questionnaire, an integrated reading/writing task, and finally an unannounced vocabulary posttest. The participants were randomly assigned to two task conditions. In the gain condition, they started the task with zero points and had to gain 75 points to enter a drawing to win one of three $100 gift cards; in the loss condition, they started with 100 points and had to avoid losing more than 25 points. Multiple regression results partly supported the regulatory fit predictions. Prevention individuals learned significantly more vocabulary items in the loss condition than in the gain condition; but promotion individuals did not learn significantly more vocabulary items in the gain condition than in the loss condition. Theoretical and pedagogical implications, and future research directions are discussed.
Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation
Authors: Zheng Yiyan , Sethi Ritika , Mangala Lingegowda S. , Taylor Charlotte , Goldsmith Juliet , Wang Ming , Masuda Kenta , Carrami Eli M. , Mannion David , Miranda Fabrizio , Herrero-Gonzalez Sandra , Hellner Karin , Chen Fiona , Alsaadi Abdulkhaliq , Albukhari Ashwag , Fotso Donatien Chedom , Yau Christopher , Jiang Dahai , Pradeep Sunila , Rodriguez-Aguayo Cristian , Lopez-Berestein Gabriel , Knapp Stefan , Gray Nathanael S. , Campo Leticia , Myers Kevin A. , Dhar Sunanda , Ferguson David , Bast Robert C. , Sood Anil K. , von Delft Frank , Ahmed Ahmed Ashour 
Published: January 2018

AbstractThough used widely in cancer therapy, paclitaxel only elicits a response in a fraction of patients. A strong determinant of paclitaxel tumor response is the state of microtubule dynamic instability. However, whether the manipulation of this physiological process can be controlled to enhance paclitaxel response has not been tested. Here, we show a previously unrecognized role of the microtubule-associated protein CRMP2 in inducing microtubule bundling through its carboxy terminus. This activity is significantly decreased when the FER tyrosine kinase phosphorylates CRMP2 at Y479 and Y499. The crystal structures of wild-type CRMP2 and CRMP2-Y479E reveal how mimicking phosphorylation prevents tetramerization of CRMP2. Depletion of FER or reducing its catalytic activity using sub-therapeutic doses of inhibitors increases paclitaxel-induced microtubule stability and cytotoxicity in ovarian cancer cells and in vivo. This work provides a rationale for inhibiting FER-mediated CRMP2 phosphorylation to enhance paclitaxel on-target activity for cancer therapy.
UFD-2 is an adaptor-assisted E3 ligase targeting unfolded proteins
Authors: Hellerschmied Doris , Roessler Max , Lehner Anita , Gazda Linn , Stejskal Karel , Imre Richard , Mechtler Karl , Dammermann Alexander , Clausen Tim 
Published: January 2018

AbstractMuscle development requires the coordinated activities of specific protein folding and degradation factors. UFD-2, a U-box ubiquitin ligase, has been reported to play a central role in this orchestra regulating the myosin chaperone UNC-45. Here, we apply an integrative in vitro and in vivo approach to delineate the substrate-targeting mechanism of UFD-2 and elucidate its distinct mechanistic features as an E3/E4 enzyme. Using Caenorhabditis elegans as model system, we demonstrate that UFD-2 is not regulating the protein levels of UNC-45 in muscle cells, but rather shows the characteristic properties of a bona fide E3 ligase involved in protein quality control. Our data demonstrate that UFD-2 preferentially targets unfolded protein segments. Moreover, the UNC-45 chaperone can serve as an adaptor protein of UFD-2 to poly-ubiquitinate unfolded myosin, pointing to a possible role of the UFD-2/UNC-45 pair in maintaining proteostasis in muscle cells.
Geometric isotope effect of deuteration in a hydrogen-bonded host–guest crystal
Authors: Shi Chao , Zhang Xi , Yu Chun-Hua , Yao Ye-Feng , Zhang Wen 
Published: January 2018

AbstractDeuteration of a hydrogen bond by replacing protium (H) with deuterium (D) can cause geometric changes in the hydrogen bond, known as the geometric H/D isotope effect (GIE). Understanding the GIEs on global structures and bulk properties is of great importance to study structure–property relationships of hydrogen-bonded systems. Here, we report a hydrogen-bonded host–guest crystal, imidazolium hydrogen terephthalate, that exemplifies striking GIEs on its hydrogen bonds, phases, and bulk dielectric transition property. Upon deuteration, the donor–acceptor distance in the O–H···O hydrogen bonds in the host structure is found to increase, which results in a change in the global hydrogen-bonded supramolecular structure and the emergence of a new phase (i.e., isotopic polymorphism). Consequently, the dynamics of the confined guest, which depend on the internal pressure exerted by the host framework, are substantially altered, showing a downward shift of the dielectric switching temperature.
Signatures of Plexcitonic States in Molecular Electroluminescence
Authors: Bergfield Justin P. , Hendrickson Joshua R. 
Published: January 2018

AbstractWe develop a quantum master equation (QME) approach to investigate the electroluminesence (EL) of molecules confined between metallic electrodes and coupled to quantum plasmonic modes. Within our general state-based framework, we describe electronic tunneling, vibrational damping, environmental dephasing, and the quantum coherent dynamics of coupled quantum electromagnetic field modes. As an example, we calculate the STM-induced spontaneous emission of a tetraphenylporphyrin (TPP) molecule coupled to a nanocavity plasmon. In the weak molecular exciton-plasmon coupling regime we find excellent agreement with experiments, including above-threshold hot luminescence, an effect not described by previous semiclassical calculations. In the strong coupling regime, we analyze the spectral features indicative of the formation of plexcitonic states.
The exchange bias behavior of BiFeO3 nanoparticles with natural core-shell structure
Authors: Huang Fengzhen , Xu Xingyu , Lu Xiaomei , Zhou Min , Sang Hai , Zhu Jinsong 
Published: January 2018

AbstractThe surface and interface effects of small antiferromagnetic nanostructures are important on the modulation of their magnetic properties. In this report, temperature and particle size dependent magnetic exchange bias effect was investigated in BiFeO3 (BFO) nanoparticles that possess natural core-shell structure. Nonmonotonic variation of exchange bias field, interesting surface spin-glass state and improved exchange bias training effect are only obtained in 18 nm BFO particles. Based on comparative experiments on particles with different sizes, we found that the surface spins and the interaction among them show great effect on the interfacial exchange coupling of the core-shell structure, and thus are responsible for the peculiar exchange bias behavior in small BFO nanoparticles. Our work provides the effect of surface spin state on the magnetic characteristics of nanomaterials and will favor their applications on spintronic devices.
Surface temperatures in New York City: Geospatial data enables the accurate prediction of radiative heat transfer
Authors: Ghandehari Masoud , Emig Thorsten , Aghamohamadnia Milad 
Published: January 2018

AbstractDespite decades of research seeking to derive the urban energy budget, the dynamics of thermal exchange in the densely constructed environment is not yet well understood. Using New York City as a study site, we present a novel hybrid experimental-computational approach for a better understanding of the radiative heat transfer in complex urban environments. The aim of this work is to contribute to the calculation of the urban energy budget, particularly the stored energy. We will focus our attention on surface thermal radiation. Improved understanding of urban thermodynamics incorporating the interaction of various bodies, particularly in high rise cities, will have implications on energy conservation at the building scale, and for human health and comfort at the urban scale. The platform presented is based on longwave hyperspectral imaging of nearly 100 blocks of Manhattan, in addition to a geospatial radiosity model that describes the collective radiative heat exchange between multiple buildings. Despite assumptions in surface emissivity and thermal conductivity of buildings walls, the close comparison of temperatures derived from measurements and computations is promising. Results imply that the presented geospatial thermodynamic model of urban structures can enable accurate and high resolution analysis of instantaneous urban surface temperatures.
Positive relationship between species richness and aboveground biomass across forest strata in a primary Pinus kesiya forest
Authors: Li Shuaifeng , Su Jianrong , Lang Xuedong , Liu Wande , Ou Guanglong 
Published: January 2018

AbstractBoth biodiversity and biomass are important variables in forest ecosystems, and the relationship between them is critical for ecosystem functioning and management. The primary Pinus kesiya forest is increasingly threatened by human disturbance in Yunnan Province. We observed that species richness had a positive impact on aboveground biomass across all forest vegetation layers, and this relationship was strongest in the herb layer. The asymptotic relationship between cumulative species number and aboveground biomass suggested that individual of Pinus kesiya trees with relatively large diameters contributed the majority of the aboveground biomass in the tall tree strata due to their strong competitive advantage over other tree species. Although aboveground biomass increased with stand age in the tall tree strata, climate factors and the soil nutrient regime affected the magnitude of the diversity-productivity relationship. Stand age had no significant effect on species richness and aboveground biomass in the forest understory. The effect of the positive diversity-productivity relationship of the tall trees on the shrub layer was negligible; the diversity-productivity relationship in the forest understory was significantly affected by the tall tree aboveground biomass. The tall trees have increased the strength of the positive diversity-productivity relationship in the forest understory.
Chloroplast genomes of Byrsonima species (Malpighiaceae): comparative analysis and screening of high divergence sequences
Authors: Menezes Alison P. A. , Resende-Moreira Luciana C. , Buzatti Renata S. O. , Nazareno Alison G. , Carlsen Monica , Lobo Francisco P. , Kalapothakis Evanguedes , Lovato Maria Bernadete 
Published: January 2018

AbstractByrsonima is the third largest genus (about 200 species) in the Malpighiaceae family, and one of the most common in Brazilian savannas. However, there is no molecular phylogeny available for the genus and taxonomic uncertainties at the generic and family level still remain. Herein, we sequenced the complete chloroplast genome of B. coccolobifolia and B. crassifolia, the first ones described for Malpighiaceae, and performed comparative analyses with sequences previously published for other families in the order Malpighiales. The chloroplast genomes assembled had a similar structure, gene content and organization, even when compared with species from other families. Chloroplast genomes ranged between 160,212 bp in B. crassifolia and 160,329 bp in B. coccolobifolia, both containing 115 genes (four ribosomal RNA genes, 28 tRNA genes and 83 protein-coding genes). We also identified sequences with high divergence that might be informative for phylogenetic inferences in the Malpighiales order, Malpighiaceae family and within the genus Byrsonima. The phylogenetic reconstruction of Malpighiales with these regions highlighted their utility for phylogenetic studies. The comparative analyses among species in Malpighiales provided insights into the chloroplast genome evolution in this order, including the presence/absence of three genes (infA, rpl32 and rps16) and two pseudogenes (ycf1 and rps19).