bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthetic Cancer‐Targeting Innate Immune Stimulators Give Insights into Avidity Effects
Authors: Conibear Anne C. , Pötgens André J. G. , Thewes Karine , Altdorf Claudia , Hilzendeger Clarissa , Becker Christian F. W. 
Published: December 2017

AbstractMultispecific and multivalent antibodies are seen as promising cancer therapeutics, and numerous antibody fragments and derivatives have been developed to exploit avidity effects that result in increased selectivity. Most of these multispecific and multivalent antibody strategies make use of recombinant expression of antigen‐binding modules. In contrast, chemical synthesis and chemoselective ligations can be used to generate a variety of molecules with different numbers and combinations of binding moieties in a modular and homogeneous fashion. In this study we synthesized a series of targeted immune system engagers (ISErs) by using solid‐phase peptide synthesis and chemoselective ligations. To explore avidity effects, we constructed molecules bearing different numbers and combinations of two “binder” peptides that target ephrin A2 and integrin α3 receptors and an “effector” peptide that binds to formyl peptide receptors and stimulates an immune response. We investigated various strategies for generating multivalent and multispecific targeted innate immune stimulators and studied their activities in terms of binding to cancer cells and stimulation of immune cells. This study gives insights into the influence that multivalency and receptor density have on avidity effects and is useful for the design of potential anticancer therapeutics.
Carbothermal Reduction Induced Ti3+ Self‐Doped TiO2/GQD Nanohybrids for High‐Performance Visible Light Photocatalysis
Authors: Tang Jialin , Liu Yousong , Hu Yingjie , Lv Guoqing , Yang Chengtao , Yang Guangcheng 
Published: December 2017

AbstractA facile calcination method is developed for the in situ synthesis of nanohybrids of Ti3+ self‐doped TiO2/graphene quantum dot nanosheets (Ti3+‐TiO2/GQD NSs). Ti3+ sites are formed on the surface of the TiO2 nanosheets through carbothermal reduction by GQDs, using citric acid as a carbon source. Such heterojunctions exhibit enhanced visible‐light absorption properties, large photocurrent current densities, and low recombination of photoinduced carriers. The methylene blue (MB) and rhodamine B (RhB) photodegradation result demonstrates a higher visible‐light photocatalysis performance than that of the original TiO2. On one hand, inducing Ti3+ sites is efficient for the separation of photogenerated charge carriers and for reducing electron–hole pair recombination. On the other hand, GQDs are beneficial for generating more photocurrent carriers and facilitating the charge transfer across the TiO2 surface. It is proposed that Ti3+ sites and GQDs induced in TiO2 nanosheets have a synergistic effect, leading to excellent photocatalysis properties. Finally, a theoretical calculation is provided of the carbothermal reduction for the formation mechanism of the Ti3+ defect sites.
Achieving Biocompatible SABRE: An in vitro Cytotoxicity Study
Authors: Manoharan Anand , Rayner Peter J. , Iali Wissam , Burns Michael J. , Perry V. Hugh , Duckett Simon B. 
Published: December 2017

AbstractProduction of a biocompatible hyperpolarized bolus for signal amplification by reversible exchange (SABRE) could open the door to simple clinical diagnosis via magnetic resonance imaging. Essential to successful progression to preclinical/clinical applications is the determination of the toxicology profile of the SABRE reaction mixture. Herein, we exemplify the cytotoxicity of the SABRE approach using in vitro cell assays. We conclude that the main cause of the observed toxicity is due to the SABRE catalyst. We therefore illustrate two catalyst removal methods: one involving deactivation and ion‐exchange chromatography, and the second using biphasic catalysis. These routes produce a bolus suitable for future in vivo study.
A power load forecast approach based on spatial‐temporal clustering of load data
Authors: Zhang Wei , Mu Gang , Yan Gangui , An Jun 
Published: December 2017

SummaryLoad forecast is very important for power system operation. Pursuing higher accuracy of load forecast is always the major target of this field. The existence of bad historical load data could badly affect the forecast accuracies of time series–based load forecast techniques. Within the multi‐node load data, the outliers of them are merely appeared instantaneously; the bad impact of the outliers could be decreased by making use of the spatial relativity of multi‐node load data. A novel load forecasting approach based on spatial‐temporal feature clustering is proposed in this paper. The temporal regular load pattern is extracted from the total load for an individual node. The spatial distribution characteristics of the individual incremental load have been categorized by the k‐medoids clustering algorithm. The MapReduce computing mode is used to manipulate multi‐node load data to raise computation efficiency. This new forecasting approach could reduce the influence of outliers and provide reliable and efficient load forecast with high accuracy. Testing in a real power system data set with up to 6.6% of outliers, the results of this approach show a lower forecasting error, about 6.2%, compared with three other time series–based methods (between 9.8% and 10.6%).
A query execution scheduling scheme for Impala system
Authors: Chen Ling , Zhao Yuliang , Yang Yi , Lv Mingqi , Chen Donghui , Wu Yong , Wang Jingchang 
Published: December 2017

SummaryImpala system is an open source, analytic MPP database for Apache Hadoop. Impala system uses a query execution scheduling scheme that assigns near‐equal bytes retrieval tasks for different hosts to ensure system load balance. However, such “load balance” cannot guarantee a short response time for Impala system, when there are original loads in the system. Traditional query execution scheduling methods require either some assumptions or particular architecture, which cannot be directly used in Impala system. In this paper, we present a query execution scheduling scheme for Impala system. If the query fetches data from a single table, the scheme exploits the maximum flow algorithm. If the query fetches data from multiple tables, the scheme employs a cost‐based algorithm with heuristic pruning rules. In addition, we propose a cost model for Impala system, which considers parallel execution, communication cost, and cluster load. The performance of the proposed scheme is evaluated by the TPC‐DS benchmark, and experimental results show that the scheme can reduce the query response time by 10%‐30%.
Self‐Assemblies of Zinc Bacteriochlorophyll‐d Analogues Having Amide, Ester, and Urea Groups as Substituents at 17‐Position and Observation of Lamellar Supramolecular Nanostructures
Authors: Shoji Sunao , Ogawa Tetsuya , Hashishin Takeshi , Tamiaki Hitoshi 
Published: December 2017

AbstractChlorosomes are unique light‐harvesting apparatuses in photosynthetic green bacteria. Single chlorosomes contain a large number of bacteriochlorophyll (BChl)‐c, ‐d, ‐e, and ‐f molecules, which self‐assemble without protein assistance. These BChl self‐assemblies involving specific intermolecular interactions (Mg⋅⋅⋅O32−H⋅⋅⋅O=C131 and π–π stacks of chlorin skeletons) in a chlorosome have been reported to be round‐shaped rods (or tubes) with diameters of 5 or 10 nm, or lamellae with a layer spacing of approximately 2 nm. Herein, the self‐assembly of synthetic zinc BChl‐d analogues having ester, amide, and urea groups in the 17‐substituent is reported. Spectroscopic analyses indicate that the zinc BChl‐d analogues self‐assemble in a nonpolar organic solvent in a similar manner to natural chlorosomal BChls with additional assistance by hydrogen‐bonding of secondary amide (or urea) groups (CON−H⋅⋅⋅O=CNH). Microscopic analyses of the supramolecules of a zinc BChl‐d analogue bearing amide and urea groups show round‐ or square‐shaped rods with widths of about 65 nm. Cryogenic TEM shows a lamellar arrangement of the zinc chlorin with a layer spacing of 1.5 nm inside the rod. Similar thick rods are also visible in the micrographs of self‐assemblies of zinc BChl‐d analogues with one or two secondary amide moieties in the 17‐substituent.
Force‐Induced Catastrophes on Energy Landscapes: Mechanochemical Manipulation of Downhill and Uphill Bifurcations Explains the Ring‐Opening Selectivity of Cyclopropanes
Authors: Wollenhaupt Miriam , Schran Christoph , Krupička Martin , Marx Dominik 
Published: December 2017

AbstractThe mechanochemistry of ring‐opening reactions of cyclopropane derivatives turns out to be unexpectedly rich and puzzling. After showing that a rare so‐called uphill bifurcation in the case of trans‐gem‐difluorocyclopropane turns into a downhill bifurcation upon substitution of fluorine by chlorine, bromine, and iodine in the thermal activation limit, the dichloro derivative is studied systematically in the realm of mechanochemical activation. Detailed exploration of the force‐transformed potential energy surface of trans‐gem‐dichlorocyclopropane in terms of Dijkstra path analysis unveils a hitherto unknown topological catastrophe where the global shape of the energy landscape is fundamentally changed. From thermal activation up to moderately large forces, it is an uphill bifurcation that decides about dis‐ versus conrotatory ring‐opening followed by separate transition states along both pathways. Above a critical force, the two distinct transition states merge to yield a single transition state such that the decision about the dis‐ versus conrotatory ring‐opening process is taken at a newly established downhill bifurcation. The discovery of a force‐induced qualitative change of the topology of a reaction network vastly transcends the previous understanding of the ring‐opening reaction of this species. It would be astonishing to not discover a wealth of such catastrophes for mechanochemically activated reactions, which will greatly extend the known opportunities to manipulate chemical reaction networks.
Remarkable Enhancement on Optical Properties of Alkali Metals Doped Anthracene Crystals
Authors: Nagarajan Vairakani , Nitthin Ananth Ananth Jayakumar , Ramaswamy Seenivasan 
Published: December 2017

AbstractAlkali metals (Li, Na, K) doped anthracene high quality organic crystals were grown by slow evaporation at ambient environment. The relative occupancy of dopants and its influence of AN lattice phonons has been probed using elemental and diffraction analysis respectively. These alkali metal ions act as an efficient optically active sites, thereby projecting enhancement in UV region and photoluminescence studies. The nonlinear susceptibility (χ(3)) have been evaluated for doped crystals from Z ‐ scan technique and the values of these parameters found to be 10−2 esu which was higher than reported organic crystals. The incorporation of the alkali metal ions progressively alters melting point, overtone vibrational bands, mechanical strength and nonlinear optical properties for the grown crystals. The improved thermal, mechanical, linear and nonlinear optical properties of doped crystals make it as a better candidate for optoelectronic applications.
Negative Pap tests in women with high‐grade cervical lesions on follow‐up biopsies: Contributing factors and role of human papillomavirus genotyping
Authors: Goodman Steven , Mody Roxanne R. , Coffey Donna , Gorman Blythe K. , Luna Eric , Armylagos Donna , Schwartz Mary R. , Mody Dina R. , Ge Yimin 
Published: December 2017

BackgroundPrevious studies have indicated that negative Papanicolaou (Pap) tests can precede high‐grade cervical lesions (HGCL) on biopsy. This study aims to determine the contributing factors for cytologic discrepancy and the potential role of human papilloma virus (HPV) testing in risk evaluation of women with negative Pap tests.MethodsOf 42,797 Pap tests interpreted as negative for intraepithelial lesion or malignancy (NILM) from March 1, 2013 to December 30, 2014, 426 had available HPV testing and follow‐up biopsy. The NILM Pap tests with biopsy‐confirmed HGCL were reviewed.ResultsAmong 426 cytology‐negative cases, the biopsies showed benign histology in 243 (57%), low‐grade squamous intraepithelial lesion in 157 (37%), HGCL in 22 (5%), and endometrial adenocarcinoma in 4 (1%) cases. The sensitivity/specificity/positive predictive values (PPV) of high‐risk HPV (hrHPV) and HPV16/18 tests in predicting HGCL was 91%/45%/8% and 55%/76%/11%, respectively. Upon review of NILM Pap tests with biopsy‐confirmed HGCL, the contributing factors to negative cytology included absence of abnormal cells (12/21, 57%) or diagnostic high‐grade cells (6/21, 29%), unsatisfactory samples (2/21, 10%), and interpretation variances (1/21, 5%). Interpretation variances in three high‐risk lesions (1 HSIL, 2 ASC‐H) were influenced by marked obscuring inflammation.ConclusionsOur study demonstrated that 5% of women underwent co‐testing with negative Pap tests had HGCL on follow‐up biopsy. Absence of diagnostic cells was the leading cause for cytology discrepancy and interpretation variances were influenced by marked obscuring inflammation. HPV testing and genotyping had limited value in risk stratification due to extremely low PPV. Focused rescreening of hrHPV‐positive NILM with obscuring factors may help reduce interpretation variances.
Diagnostic yield and accuracy of a new cytology brush design compared to standard brush cytology for evaluation of biliary strictures
Authors: Bank Jeffrey S. , Witt Benjamin L. , Taylor Linda J. , Adler Douglas G. 
Published: December 2017

BackgroundThe sensitivity of brush cytology for biliary strictures has typically been low, usually 30%‐60%. We compared the cellular yield and diagnostic accuracy using a new cytology brush (n = 16) versus standard biliary brushings (n = 16) in 32 patients who underwent endoscopic retrograde cholangiopancreatography (ERCP) with brushings for evaluation of a biliary stricture for malignancy.MethodsWe performed retrospective chart reviews of 16 consecutive ERCPs with brushings performed for the cytologic evaluation of a biliary stricture for malignancy using the new cytology brush between January 2016 and February 2017 at our institution. Our control cohort was 16 consecutive ERCP cases performed for the same indication directly preceding the availability of the new cytology brush.ResultsThe biliary brushing cases performed using the new cytology brush demonstrated a significantly increased number of total cell clusters per representative ×20 field compared with cases using the standard brush (mean 24.6 versus 14.4, P = .03). This trend continued when assessing large (>50 cells) clusters (mean 5.8 vs. 3.3, P = .02) and medium (6‐49 cells) clusters (11.1 vs. 5.8, P = .03). Nonetheless, there were no statistically significant differences with regards to diagnostic accuracy for the new cytology brush versus standard biliary brushings.ConclusionWe found that the Infinity brush significantly increased diagnostic yield with regards to total cell clusters, large (>50 cells) clusters, and medium (6‐49 cells) clusters, however, this did not lead to increased diagnostic accuracy overall. Further studies of this and other brush designs are warranted to optimize biliary brushing specimens.
The relationship between emotional experience with dyslexia and work self‐efficacy among adults with dyslexia
Authors: Nalavany Blace A. , Logan Julie M. , Carawan Lena W. 
Published: December 2017

This study responds to a call for more research on working adults with dyslexia investigating how employment‐related factors affect and relate to one another. Two important work‐related factors are self‐efficacy and emotional experience with dyslexia. Work self‐efficacy is viewed one of the most vital intrapersonal capacities in the work environment. It can be viewed as a subjective indicator of work success and is conceptualized as a multidimensional construct. Research speaks to a unique emotional experience stemming from living with an often misunderstood and stereotyped learning difference. The participants were 173 working adults with dyslexia (average age = 43.5 years, females = 56.6%) who participated in a web‐based survey. Hierarchical multiple regression analyses revealed that more negative or uncomfortable emotions emanating from living with dyslexia predicted lower levels of total work self‐efficacy, work attributes, work competency, and work anxiety over and beyond background contextual variables. Implications of these findings are discussed.
Binder Free Modification of Glassy Carbon Electrode by Employing Reduced Graphene Oxide/ZnO Composite for Voltammetric Determination of Certain Nitroaromatics
Authors: Mohammad Akbar , Ahmad Khursheed , Rajak Richa , Mobin Shaikh M. 
Published: December 2017

AbstractReduced Graphene oxide/ZnO nanoflowers (rGO/ZnO‐NFs) composite has been synthesized in‐situ using asymmetric Zn complex (1) as a single‐source molecular precursor (SSMP) with GO at 150 °C. The rGO/ZnO‐NFs composite was characterized by PXRD, UV‐vis, SEM, EDX mapping, TEM and SAED pattern to confirm its purity and morphology. The rGO/ZnO‐NFs composite shows uniform distribution of nanoflowers on graphene sheets. The modified glassy carbon electrode (GCE) was fabricated by drop wise layering of the rGO/ZnO‐NFs composite at the surface of the GCE without using binder. The binder free modified electrode (GCE‐rGO/ZnO) was explored for detection of nitroaromatics such as p‐nitro‐phenol (p‐NP), 2,4‐dinitrophenol (2,4‐DNP), 2,4‐dinitrotoluene (2,4‐DNT) and 2,4,6‐trinitrophenol (2,4,6‐TNP). The fabricated sensor showed remarkable response for the both toxicants and explosives. The LOD, sensitivity and linear range for the studied toxicants and explosives were found to be in a good range: p‐NP=0.93 μM, 240 μA mM−1 cm−2 and 0.2–0.9 mM; 2,4‐DNP=6.2 μM, 203 μA mM−1 cm−2 and 0.1–0.9 mM; 2,4‐DNT=10 μM, 371 μA mM−1 cm−2 and 0.2–0.9 mM; 2,4,6‐TNP=16 μM, 514 μA mM−1 cm−2 and 0.2–0.9 mM, respectively.
Design of monitoring networks using k‐determinantal point processes
Authors: Casquilho‐Resende C. M. , Le N. D. , Zidek J. V. , Wang Y. 
Published: December 2017

In this paper, we introduce a design strategy based on k‐determinantal point processes (k‐DPPs). The k‐DPP design is a flexible design scheme that is able to yield spatially balanced designs while also imposing diversity of the selected locations based on extra sources of information known to be related to the underlying process of interest. The methodology is able to handle both the designing and the redesigning of a monitoring network.In particular, we discuss how a k‐DPP design can be used as a randomized alternative for the space‐filling designs when the objective is to provide a good spatial coverage of the region of interest. Furthermore, we discuss how the k‐DPP optimal design objective is remarkably similar to that of entropy design for Gaussian fields. Because the optimization for entropy designs is a NP‐hard problem, we explore an approximate solution based on a k‐DPP sampling design strategy. Through a case study of augmentation of a network for monitoring temperatures, we illustrate how a k‐DPP sampling design strategy can yield an approximation for the entropy solution.
Fluid and metal sources of the Changfagou porphyry copper deposit, southern Jilin Province, NE China: Constraints from fluid inclusions and H‐O‐S‐Pb isotope systematics
Authors: Zhang Yong , Xing Shuwen , Song Quanheng , Yu Zhengtao , Liang Shifu 
Published: December 2017

The Changfagou copper deposit, a newly discovered porphyry deposit in the southern Jilin Province, NE China, is tectonically located on the northeastern margin of the North China Block. We recognized four types of sulfide‐quartz veins at Changfagou, including quartz–K‐feldspar–magnetite veins (Stage I), quartz–molybdenite–pyrite–chalcopyrite veins (Stage II), quartz–chalcopyrite–pyrite–galena–sphalerite veins (Stage III), and quartz–carbonate veins (Stage IV). Three types of fluid inclusions, including liquid‐rich two‐phase (L‐type), vapour‐rich two‐phase (V‐type), and daughter mineral‐bearing multi–phase (S‐type) inclusions, have been distinguished. The fluid inclusions in the quartz phenocrysts of the ore‐hosting granite porphyry contain liquid‐rich two‐phase, gas‐rich two‐phase, and daughter mineral‐bearing multi‐phase fluid inclusions. Stages I, II, and III quartz contain all types of fluid inclusions, whereas only L‐type inclusions can be observed in Stage IV quartz. The fluid inclusions in the quartz phenocrysts of the granite porphyry yield homogenization temperatures ranging from 282 to 586 °C and salinities ranging from 3.55% to 58.41% NaCl equiv. The fluid inclusions in the quartz of Stages I, II, III, and IV mainly homogenized at temperatures of 290 to 492 °C, 270 to 424 °C, 248 to 398 °C, and 119 to 219 °C, respectively, with salinities of 9.98–50.85 wt.% NaCl equiv, 6.30–46.37 wt.% NaCl equiv, 6.45–35.99 wt.% NaCl equiv, and 6.59–18.04 wt.% NaCl equiv, respectively. The ore–forming fluids of the Changfagou Cu deposit are therefore characterized by their high temperature and high salinity, and they belong to the H2O–NaCl–CO2 system. The δ18Ofluid values of quartz phenocrysts and vein quartz range from −9.97‰ to +6.91‰, and their δDfluid values range from −142‰ to −93‰, indicating that the early‐stage ore‐forming fluids mainly consisted of magmatic water that experienced the input of magmatic and meteoric water during the last stage. The δ34S values of chalcopyrite and molybdenite range from +2.2‰ to +4.3‰, with an average value of +3.17. The 206Pb/204Pb, 207Pb/204Pb, and 208Pb/204Pb ratios of granite porphyry, arsenopyrite, and pyrite range from 16.672–17.567, 15.516–15.658, and 37.210–38.733, respectively. Both the S and Pb isotopic systems indicate that the ore‐forming materials were derived from mixed mantle and crustal sources. We thus proposed that multiple stages of the boiling of ore‐forming fluid represented the dominant mechanism of the formation of the Changfagou Cu deposit.
Templating Effects in the Dynamic Chemistry of Cucurbiturils and Hemicucurbiturils
Authors: Kaabel Sandra , Aav Riina 
Published: December 2017

AbstractThis review concentrates on the remarkable macrocyclisation chemistry of cucurbituril family members. During a single step in the condensation reaction of cucurbit[6]uril or hemicucurbit[12]uril 24 new C−N bonds are formed. In the case of hemicucurbit[12]uril this leads to the highly efficient formation of a covalently bound chain of 48 atoms. This phenomenon is possible because all cucurbiturils are built up of dynamic covalent acylaminal linkers. Moreover, the reversibility of acylaminal linkages makes the formation of macrocycles susceptible to external stimuli. Influence of the chain‐growth and chain‐cycle equilibrium and the effect of different templates in CB chemistry is discussed. As anions have a pronounced effect on formation of hemicucurbiturils, a comprehensive overview on their role in modifying the solid‐state structures of hemicucurbiturils is given.