bluuebunny/crossref_metadata_2025_split huggingface dataset:
Thermal Evaluation of Diesel/Hydrogen Peroxide Fuel Blend
Authors: Yusof Zainal Abidin Mohd , Ahmed Iqbal , Khan Muhammad Saad , Hussain S. Altaf , Hussain Ahmad , Mutalib Ibrahim bin Abdul , Balkhair Khaled S. , Albeirutty Muhammad H. 
Published: September 2015

AbstractThermal properties of fossil fuel are the key fundamental characteristics, which can distinguish any compound as a potential fuel. The performance of diesel fuel blend along with stability and solubility parameter designs are evaluated. The results from the experimental study indicate that the increase in hydrogen peroxide (H2O2) amount enhances the cetane number of diesel fuel blend significantly. However, the calorific value decreases as compared to pure diesel fuel. All values performed well according to the ASTM D‐975 diesel testing method. The thermodynamics of the prepared fuel blends also revealed that substantial solubility and diesel/H2O2 blend stability are provided even at lower temperatures. Such blends can be used as a feasible replacement of pure diesel fuel.
Simulation of Propane Dehydrogenation to Propylene in a Radial‐Flow Reactor over Pt‐Sn/Al2O3 as the Catalyst
Authors: Miraboutalebi Seyed M. , Vafajoo Leila , Kazemeini Mohammad , Fattahi Moslem 
Published: September 2015

AbstractCatalytic paraffin dehydrogenation for manufacturing olefins is considered to be one of the most significant production routes in the petrochemical industries. A reactor kinetic model for the dehydrogenation of propane to propylene in a radial‐flow reactor over Pt‐Sn/Al2O3 as the catalyst was investigated here. The model showed that the catalyst activity was highly time dependent. In addition, the component concentrations and the temperature varied along the reactor radius owing to the occurring endothermic reaction. Moreover, a similar trend was noticed for the propane conversion as for the propylene selectivity, with both of them decreasing over the time period studied. Furthermore, a reversal of this trend was also revealed when the feed temperature was enhanced or when argon was added into the feed as an inert gas.
Release of Nanoparticles when Handling Fumed Silica
Authors: Schmidt Eberhard 
Published: September 2015

AbstractThe handling of dispersed solids may lead to undesirable release of particles. Size and quantity of the particles transferred into the gas depend on powder properties and the kind of stress acting on the bulk. This has to be taken into account concerning the requirements and the choice of appropriate test methods for determining dustiness in industrial processes. Two commercially available testers technically enhanced by two specific particle analyzers were utilized. The ability of six different qualities of pyrogenic silica to release airborne nanoparticles was measured and compared to each other.
Vertically Ordered Silica Mesochannel Modified Bipolar Electrode for Electrochemiluminescence Imaging Analysis
Authors: Guo Weiliang , Lin Xingyu , Yan Fei , Su Bin 
Published: September 2015

AbstractThis paper describes a miniaturized bipolar electrode (BPE) sensor that is constructed with an indium tin oxide (ITO) microband and a slice of poly(dimethylsioxane) (PDMS). The ITO microband modified by vertically ordered silica mesochannels (SMCs) functions as the BPE. Owing to the uniform pore size of ≈2–3 nm in diameter and negatively charged surface, the SMCs can significantly accelerate the mass transport of positively charged species via strong electrostatic interactions. Thus, an increase of more than two orders of magnitude in sensitivity for tri‐n‐propylamine (TPrA) analysis was achieved for the electrochemluminescence (ECL) of tris(2,2′‐bipyridyl)ruthenium(II) (Ru(bpy)32+) at a relatively low concentration (10 μm). Moreover, the SMC film with ultrasmall channels can effectively serve as an antifouling layer of the underlying ITO electrode to prevent the access of undesired large molecules, allowing the electrochemical detection in real complex media, such as atropine and l‐proline in human blood serum.
Bimolecular Homolytic Substitutions at Nitrogen: An Experimental and Theoretical Study on the Gas‐Phase Reactions of Alkyl Radicals with NF3
Authors: Antoniotti Paola , Benzi Paola , Borocci Stefano , Demaria Chiara , Giordani Maria , Grandinetti Felice , Operti Lorenza , Rabezzana Roberto 
Published: September 2015

AbstractThe X‐ray irradiation of binary mixtures of alkyl iodides RI (R=CH3, C2H5, or i‐C3H7 radicals) and NF3 produces RNF2 and RF. Based on calculations performed at the CCSD(T), MRCI(SD+Q), G3B3, and G3 levels of theory, the former product arises from a bimolecular homolytic substitution reaction (SH2) by the alkyl radicals R, which attack the N atom of NF3. This mechanism is consistent with the suppression of RNF2 by addition of O2 (an efficient alkyl radical scavenger) to the reaction mixture. The RF product arises from the attack of R to the F atom of NF3, but additional contributing channels are conceivably involved. The F‐atom abstraction is, indeed, considerably more exothermic than the SH2 reaction, but the involved energy barriers are comparable, and the two processes are comparably fast.
Ligand Noninnocence in Coinage Metal Corroles: A Silver Knife‐Edge
Authors: Thomas Kolle E. , Vazquez‐Lima Hugo , Fang Yuanyuan , Song Yang , Gagnon Kevin J. , Beavers Christine M. , Kadish Karl M. , Ghosh Abhik 
Published: September 2015

AbstractA silver β‐octabromo‐meso‐triarylcorrole has been found to exhibit a strongly saddled geometry, providing the first instance of a strongly saddled corrole complex involving a metal other than copper. The Soret maxima of the Ag octabromocorroles also redshift markedly in response to increasingly electron‐donating para substituents on the meso‐aryl groups. In both these respects, the Ag octabromocorroles differ from simple Ag triarylcorrole derivatives, which exhibit only mild saddling and substituent‐insensitive Soret maxima. These results have been rationalized in terms of an innocent MIII‐corrole3− description for the simple Ag corroles and a noninnocent MII‐corrole.2− description for the Ag octabromocorroles. In contrast, all copper corroles are thought to be noninnocent, while all gold corroles are innocent. Uniquely among metallocorroles, silver corroles thus seem poised on a knife‐edge, so to speak, between innocent and noninnocent electronic structures and may tip either way, depending on the exact nature of the corrole ligand.
Phosphorus‐Doped Graphene Oxide Layer as a Highly Efficient Flame Retardant
Authors: Some Surajit , Shackery Iman , Kim Sun Jun , Jun Seong Chan 
Published: September 2015

AbstractA simple and easy process has been developed to efficiently dope phosphorus into a graphene oxide surface. Phosphorus‐doped graphene oxide (PGO) is prepared by the treatment of polyphosphoric acid with phosphoric acid followed by addition of a graphene oxide solution while maintaining a pH of around 5 by addition of NaOH solution. The resulting materials are characterized by X‐ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FT‐IR), X‐ray diffraction (XRD), Raman spectroscopy, thermogravimetric analysis (TGA), and scanning electron microscopy (SEM). The as‐made PGO solution‐coated cloth exhibits excellent flame retardation properties. The PGO‐coated cloth emits some smoke at the beginning without catching fire for more than 120 s and maintains its initial shape with little shrinkage. In contrast, the pristine cloth catches fire within 5 s and is completely burned within 25 s, leaving trace amounts of black residue. The simple technique of direct introduction of phosphorus into the graphene oxide surface to produce phosphorus‐doped oxidized carbon nanoplatelets may be a general approach towards the low‐cost mass production of PGO for many practical applications, including flame retardation.
Ring‐Closing and Cross‐Metathesis with Artificial Metalloenzymes Created by Covalent Active Site‐Directed Hybridization of a Lipase
Authors: Basauri‐Molina Manuel , Verhoeven Dide G. A. , van Schaik Arnoldus J. , Kleijn Henk , Klein Gebbink Robertus J. M. 
Published: September 2015

AbstractA series of Grubbs‐type catalysts that contain lipase‐inhibiting phosphoester functionalities have been synthesized and reacted with the lipase cutinase, which leads to artificial metalloenzymes for olefin metathesis. The resulting hybrids comprise the organometallic fragment that is covalently bound to the active amino acid residue of the enzyme host in an orthogonal orientation. Differences in reactivity as well as accessibility of the active site by the functionalized inhibitor became evident through variation of the anchoring motif and substituents on the N‐heterocyclic carbene ligand. Such observations led to the design of a hybrid that is active in the ring‐closing metathesis and the cross‐metathesis of N,N‐diallyl‐p‐toluenesulfonamide and allylbenzene, respectively, the latter being the first example of its kind in the field of artificial metalloenzymes.
Boron Clusters as a Platform for New Materials: Synthesis of Functionalized o‐Carborane (C2B10H12) Derivatives Incorporating DNA Fragments
Authors: Janczak Slawomir , Olejniczak Agnieszka , Balabańska Sandra , Chmielewski Marcin K. , Lupu Marius , Viñas Clara , Lesnikowski Zbigniew J. 
Published: September 2015

AbstractA synthetic strategy for functionalization of the three vertices of o‐carborane and the attachment of the obtained triped to the solid support was developed. Further functionalization of the triped with short DNA sequences by automated DNA synthesis was achieved. The proposed methodology is a first example of boron cluster chemistry on a solid support opening new perspectives in boron cluster functionalization.
Microsecond X‐ray Absorption Spectroscopy Identification of CoI Intermediates in Cobaloxime‐Catalyzed Hydrogen Evolution
Authors: Smolentsev Grigory , Cecconi Bianca , Guda Alexander , Chavarot‐Kerlidou Murielle , van Bokhoven Jeroen A. , Nachtegaal Maarten , Artero Vincent 
Published: September 2015

AbstractRational development of efficient photocatalytic systems for hydrogen production requires understanding the catalytic mechanism and detailed information about the structure of intermediates in the catalytic cycle. We demonstrate how time‐resolved X‐ray absorption spectroscopy in the microsecond time range can be used to identify such intermediates and to determine their local geometric structure. This method was used to obtain the solution structure of the CoI intermediate of cobaloxime, which is a non‐noble metal catalyst for solar hydrogen production from water. Distances between cobalt and the nearest ligands including two solvent molecules and displacement of the cobalt atom out of plane formed by the planar ligands have been determined. Combining in situ X‐ray absorption and UV/Vis data, we demonstrate how slight modification of the catalyst structure can lead to the formation of a catalytically inactive CoI state under similar conditions. Possible deactivation mechanisms are discussed.
Mixed‐Matrix Membrane Adsorbers for the Selective Binding of Metal Ions from Diluted Solutions
Authors: Niedergall Klaus , Kopp Denis , Besch Sandra , Schiestel Thomas 
Published: September 2015

AbstractIn the coming years more and more diluted and complex material streams will have to be recycled. Variable amounts of different metals have to be separated from these streams due to their value or their toxicity. Polymer hybrid membranes with embedded functional nanoadsorber particles have been developed to remove diverse metal ions from these solutions. The membrane adsorbers were tested and their performance was evaluated using various metals such as Cu, Ag and Pb. In addition, the desorption behavior of these membrane adsorbers was evaluated with regard to multiple use and recovery of the adsorbed metals.
Stability and electrochemical performance of Ni/YSZ pattern anodes in H2/H2O atmosphere
Authors: Yao Weifang , Croiset Eric 
Published: September 2015

AbstractThorough understanding of H2 electrochemical oxidation helps optimize SOFC anode design and improve its performance. However, controversies still exist regarding H2 electrochemical oxidation. Due to their well‐defined 2‐D structure, Ni/YSZ pattern anodes are ideally suited for reaction kinetic studies. In this study, a systematic study was performed to determine conditions for the stabilization of Ni/YSZ pattern anode performance. Moreover, a comprehensive and reliable dataset of H2 electrochemical oxidation was obtained under stable test conditions. We found that stabilization of Ni/YSZ pattern anode performance relies on temperature and Ni thickness. Polarization resistance (Rp) depends on temperature, overpotential, H2 partial pressure, and TPB length, and it increases with decreasing any of these parameters. Rp also depends on H2O content. When the pH2O is between 3000 Pa (3 % of the total gases) and 30 000–40 000 Pa (30–40 % of the total gases), Rp decreases with increasing H2O content. However, Rp is less affected with further increasing H2O content. Charge transfer reactions coupled with H2O‐related processes contribute to the rate‐limiting steps for H2 electro‐oxidation.
Impact of patient navigation in eliminating economic disparities in cancer care
Authors: Rodday Angie Mae , Parsons Susan K. , Snyder Frederick , Simon Melissa A. , Llanos Adana A. M. , Warren‐Mears Victoria , Dudley Donald , Lee Ji‐Hyun , Patierno Steven R. , Markossian Talar W. , Sanders Mechelle , Whitley Elizabeth M. , Freund Karen M. 
Published: September 2015

BACKGROUNDPatient navigation may reduce cancer disparities associated with socioeconomic status (SES) and household factors. This study examined whether these factors were associated with delays in diagnostic resolution among patients with cancer screening abnormalities and whether patient navigation ameliorated these delays.METHODSThis study analyzed data from 5 of 10 centers of the National Cancer Institute's Patient Navigation Research Program, which collected SES and household data on employment, income, education, housing, marital status, and household composition. The primary outcome was the time to diagnostic resolution after a cancer screening abnormality. Separate adjusted Cox proportional hazard models were fit for each SES and household factor, and an interaction between that factor and the intervention status was included.RESULTSAmong the 3777 participants (1968 in the control arm and 1809 in the navigation intervention arm), 91% were women, and the mean age was 44 years; 43% were Hispanic, 28% were white, and 27% were African American. Within the control arm, the unemployed experienced a longer time to resolution than those employed full‐time (hazard ratio [HR], 0.85; P = .02). Renters (HR, 0.81; P = .02) and those with other (ie, unstable) housing (HR, 0.60; P < .001) had delays in comparison with homeowners. Never married (HR, 0.70; P < .001) and previously married participants (HR, 0.85; P = .03) had a longer time to care than married participants. There were no differences in the time to diagnostic resolution with any of these variables within the navigation intervention arm.CONCLUSIONSDelays in diagnostic resolution exist by employment, housing type, and marital status. Patient navigation eliminated these disparities in the study sample. These findings demonstrate the value of providing patient navigation to patients at high risk for delays in cancer care. Cancer 2015;121:4025–4034. © 2015 American Cancer Society.
Pap smears with glandular cell abnormalities: Are they detected by rapid prescreening?
Authors: Kanber Yonca , Charbonneau Michele , Auger Manon 
Published: September 2015

BACKGROUNDRapid prescreening (RPS) is one of the quality assurance (QA) methods used in gynecologic cytology. The efficacy of RPS has been previously studied but mostly with respect to squamous lesions; in fact, there has been no study so far specifically looking at the sensitivity of RPS for detecting glandular cell abnormalities.METHODSA total of 80,565 Papanicolaou (Pap) smears underwent RPS during a 25‐month period. A sample was designated as “review for abnormality” (R) if any abnormal cells (at the threshold of atypical squamous cells of undetermined significance/atypical glandular cells [AGC]) were thought to be present or was designated as negative (N) if none were detected. Each sample then underwent full screening (FS) and was designated as either R or N and also given a cytologic interpretation.RESULTSThe final cytologic interpretation was a glandular cell abnormality (≥AGC) in 107 samples (0.13%); 39 of these (36.4%) were flagged as R on RPS. Twenty‐four patients (33.8%) out of 71 who had histologic follow‐up were found to harbor a high‐grade squamous intraepithelial lesion or carcinoma; 13 of those 24 Pap smears (54.2%) had been flagged as R on RPS. Notably, 11 AGC cases were picked up by RPS only and not by FS and represented false‐negative cases; 2 of these showed endometrial adenocarcinoma on histologic follow‐up.CONCLUSIONSPap smears with glandular cell abnormalities are often flagged as abnormal by RPS, and this results in a sensitivity of 36.4% (at the AGC threshold). Most importantly, some cases of AGC are detected on Pap smears by RPS only, and this demonstrates that RPS is a valuable QA method. Cancer (Cancer Cytopathol) 2015;123:739–744. © 2015 American Cancer Society.
Binding Selectivity of Macrocycle Ionophores in Ionic Liquids versus Aqueous Solution and Solvent‐free Conditions
Authors: Gámez Francisco , Hortal Ana R. , Hurtado Paola , Avilés‐Moreno Juan R. , Hamad Said , Martínez‐Haya Bruno 
Published: September 2015

AbstractThe understanding of supramolecular recognition in room‐temperature ionic liquids (RTILs) is key to develop the full potential of these materials. In this work, we provide insights into the selectivity of the binding of alkali metal cations by standard cyclodextrin and calixarene macrocycles in RTILs. A direct laser desorption/ionization mass spectrometry approach is employed to determine the relative abundances of the inclusion complexes formed through competitive binding in RTIL solutions. The results are compared with the binding selectivities measured under solvent‐free conditions and in water/methanol solutions. Cyclodextrins and calixarenes in which the peripheral OH groups are substituted by bulkier side groups preferentially bind to Cs+. Such specific ionophoric behavior is substantially enhanced by solvation effects in the RTIL. This finding is rationalized with the aid of quantum mechanical calculations, in terms of the conformational features and steric interactions that drive the solvation of the inclusion complexes by the bulky RTIL counterions.
Development of mathematical model for signal‐dependent linear adaptive level‐based sampling
Authors: Srivastava Abhinav , Srinivasan K. 
Published: September 2015

SummaryA mathematical model for linear adaptive level‐based sampling is developed in this paper. The proposed mathematical model provides a gradual change in quantization size and maintains time difference between two successive samples greater than or equal to loop delay of the system. This model is developed to minimize signal slope overload distortion as well as reduction in quantization noise. The proposed mathematical model is demonstrated in MATLAB simulation environment. Simulation results are compared with level‐based sampling and adaptive level‐based sampling based on bit‐level compression. Copyright © 2015 John Wiley & Sons, Ltd.
Text Filtering for Harmful Document Classification Using Three‐Word Co‐Occurrence and Large‐Scale Data Processing
Authors: OTSUKA TAKANOBU , DENG DEYUE , ITO TAKAYUKI 
Published: September 2015

SUMMARYYoung people are increasingly using the Internet. However, this creates the problem that the material they encounter may adversely affect them. Therefore we propose a method of automatically classifying harmful sentences. Research on information filtering has been improving the performance of filters by introducing co‐occurrence information. Extended from two words co‐occurrence information, which is commonly studied in such work, we have created training data using co‐occurrence information with three words. However, compared with two‐word co‐occurrence information, the processing time becomes a problem because of the increase in the amount of training data. In addition, we have found that noise caused by the increase in co‐occurrences exceeds the capacity of double‐precision floating‐point calculations. We improved processing speed by implementing a text filtering system with three‐word co‐occurrence using a Bayesian filter in order to parallelize a fast MyISAM database. In addition, by using BigDecimal to remove the noise caused by the increase in the number of co‐occurrences, we achieved a high F‐value.
High‐Speed Performance Evaluation of a Large‐Scale Shared‐Bus Digital System
Authors: KONDO MASAFUMI , YOKOGAWA TOMOYUKI , SATO YOICHIRO , ARIMOTO KAZUTAMI 
Published: September 2015

SUMMARYTo evaluate the performance of a large‐scale digital system, the system can be modeled by stochastic timed Petri nets (STPN) and a performance index can be estimated based on the number of iterations in a Petri net simulation. When the performance evaluation is carried out in a large distributed environment, parallel calculation with incidence matrices for the STPN can make the Petri net simulation more efficient. In this paper, we propose an ordering method for the incidence matrices to reduce the communication costs in the parallel calculation of matrix operations. For this purpose, we first propose a method of blocking the incidence matrices based on the structure of the system by taking into consideration synchronous and asynchronous buses as structural elements. We also propose a method for converting submatrices of the incidence matrices into band matrices. This method is based on breadth‐first search in the STPN as represented by the submatrices. Finally, we demonstrate the benefits of ordering on the time required for a performance evaluation by carrying out a performance evaluation using the incidence matrices generated under the proposed method. In addition, we show that the ordering method can reduce the communication costs in a large distributed environment by estimating the utilization rate of calculation nodes.