bluuebunny/crossref_metadata_2025_split huggingface dataset:
Implementing fuzzy logic to simulate a process of inference on sensory stimuli of deaf people in an e‐learning environment
Authors: dos Santos Guimarães Rubens , Strafacci Válter , Tasinaffo Paulo Marcelo 
Published: November 2015

ABSTRACTA novel approach to education aimed at deaf students, based on computing that performs individualized instruction on the domain of programming languages is presented. This approach is fully implemented and evaluated in an educational application model, called model of Mental Architecture Digitized—AMD. In particular, performs user modeling by dynamically identifying and updating a student's knowledge level of all the concepts of the domain knowledge. The concept of AMD is based on fuzzy cognitive maps (FCMs) that are used to represent the dependences among the domain concepts. AMD uses fuzzy sets to represent a student's knowledge level as a subset of the domain knowledge. Thus, it combines fuzzy theory with the overlay model. Moreover, it employs a novel inference mechanism that dynamically updates user stereotypes using fuzzy sets. It should be noted that the overlay model and stereotypes constitute two widely used methods for user modeling. The gain from this novel combination is significant as a student level of knowledge is represented in a more realistic way by automatically modeling the learning or forgetting process of a student with respect to the FCMs and thus, the system can provide individualized adaptive advice. The transmission and retention of knowledge rests on the cognitive faculty of the concepts linked to it. The repeatability of your applications builds a solid foundation for Education, according to behavioral standards set. This cognitive ability to infer on what we observe and perceive, regarded as intrinsic human beings, does not depend of their physical capacity. © 2015 Wiley Periodicals, Inc. Comput Appl Eng Educ 24:320–330, 2016; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21707
The Role of Steric Effects and Acidity in the Direct Synthesis of iso‐Paraffins from Syngas on Cobalt Zeolite Catalysts
Authors: Subramanian Vijayanand , Zholobenko Vladimir L. , Cheng Kang , Lancelot Christine , Heyte Svetlana , Thuriot Joelle , Paul Sébastien , Ordomsky Vitaly V. , Khodakov Andrei Y. 
Published: November 2015

AbstractThis study focuses on the effects of the localization of Co species, zeolite structure, and acidity on the performance of Co bifunctional catalysts promoted with Pt for the direct synthesis of iso‐paraffins from syngas. ZSM‐5, MOR, and BEA were chosen as zeolites with different structures and pore diameters. The catalysts were prepared either by incipient wetness impregnation or by the mechanical mixing of the zeolite with a conventional silica‐supported Co catalyst. The increase in the pore size and open character of the zeolite structure from ZSM‐5 to BEA resulted in a higher fraction of Co located inside the pores of the catalysts prepared by impregnation. The catalytic performance was affected strongly by the zeolite acidity, pore structure, and Co distribution between the pores and the external surface. The selectivity to short‐chain iso‐paraffins is affected principally by the zeolite acidity, whereas the selectivity to long‐chain branched hydrocarbons mostly depends on steric effects.
One‐Pot Synthesis of Iron‐Containing Nanoreactors with Controllable Catalytic Activity Based on Multichannel Mesoporous Silica
Authors: Wang Haiqing , Li Xiaoming , Xiong Cuirong , Gao Shuying , Wang Jun , Kong Yan 
Published: November 2015

AbstractWe have constructed Fe‐substituted silicate nanotube reactors (Fe–NTRs) through a newly developed one‐step solubilization (OSS) method in which cetyltrimethylammonium bromide and P123 are used as structure‐directing and shape‐controlling agents, respectively, and ferrocene is utilized as iron source by solubilizing inside the hydrophobic inner core of the surfactant micelles. The Fe–NTRs showed regular morphology, highly ordered multichannel mesopores, controllable sizes with lengths changing from 150 nm to 1.2 μm, diameters of approximately 130 nm and pore sizes of approximately 2.7 nm, and iron contents in a range from 0.66 to 1.59 wt %. The OSS strategy is also applicable for other metal‐functioned silicate nanoreactors. The catalytic activity of Fe–NTRs in the direct hydroxylation of phenol can be essentially manipulated by the controllable sizes. The release behavior of reactants reveals that the diffusion control derived from the lengths of Fe–NTR should be responsible for the resultant reactivity.
Propane Dehydrogenation over In2O3–Ga2O3–Al2O3 Mixed Oxides
Authors: Tan Shuai , Kim Seok‐Jhin , Moore Jason S. , Liu Yujun , Dixit Ravindra S. , Pendergast John G. , Sholl David S. , Nair Sankar , Jones Christopher W. 
Published: November 2015

AbstractA series of ternary mixed metal oxides containing Group III A elements (In, Ga, Al) is prepared by means of an alcoholic co‐precipitation method. Specifically, oxide catalysts with a molar composition of In/Ga/Al=5:15:80, 10:10:80, and 15:5:80 are reported. The chemical composition, redox properties, and catalyst structures are fully characterized, with the results suggesting that the indium, gallium, and aluminum moieties are well‐dispersed in the catalysts. The catalysts are evaluated for propane dehydrogenation (PDH) at 570 and 600 °C under 1 atm total pressure. The most effective catalyst with a composition of In/Ga/Al=5:15:80 provides 17 % conversion and approximately 86 % C3H6 selectivity with an initial activity of 4.6 mmol h−1 gcat−1 and 24.1 μmol h−1 m−2. The intrinsic activity on an active metal (i.e. indium and gallium) basis is approximately 3 times that of the In2O3–Ga2O3 family and approximately 3–9 times that of the In2O3–Al2O3 family. The catalyst deactivates with time on stream, and regeneration tests show that removal of surface coke and recovery of an In2O3 state helps to regain the initial activity, whereas reducing In2O3 domains into In0 does not allow for recovery of the performance. Raman analysis of the carbonaceous species deposited on the catalyst indicates catalysts with higher gallium content give more graphitic carbon, which correlates with higher C3H6 selectivity, whereas catalysts with more disordered coke are associated with lower selectivity. However, higher gallium content causes more coke formation, which leads to faster deactivation. This initial study of this family of mixed oxides suggests that an ideal In/Ga ratio may exist whereby catalyst properties may be optimized.
MOF‐Derived Porous NixFe3‐xO4 Nanotubes with Excellent Performance in Lithium‐Ion Batteries
Authors: Xia Yuan , Wang Beibei , Wang Gang , Liu Xiaojie , Wang Hui 
Published: November 2015

AbstractNi–Fe bimetallic oxide nanotubes with a hollow and porous structure were synthesized by using metal‐organic framework (MOF) annealing processes. The Ni/Fe molar ratios in the binary metal oxide were rationally designed. Typically, Ni0.62Fe2.38O4 (called NFO‐0.25) nanotubes with a tube shell of around 10 nm possess a specific surface area of 134.3 m2 g−1 and are composed of nanosized primary particles. The lithium‐ion battery performance of the nanotube anode was evaluated by galvanostatic and rate cycling. In the half‐cell, a high capacity of 1184 mA h g−1 for the NFO‐0.25 anode was maintained at a current density of 0.25 A g−1 after 200 cycles. In addition, the NFO‐0.25/LiCoO2 full‐cell has a reversible charge capacity of about 94 mAh g−1 with a high coulombic efficiency at the same current density. The feature of hollow and porous structures remarkably buffers the volume variation, and provides more active sites for lithiation–delithiation reactions, resulting in excellent lithium‐storage performance.
Supramolecular Protein Immobilization on Lipid Bilayers
Authors: Bosmans Ralph P. G. , Hendriksen Wouter E. , Verheijden Mark , Eelkema Rienk , Jonkheijm Pascal , van Esch Jan H. , Brunsveld Luc 
Published: November 2015

AbstractProtein immobilization on surfaces, and on lipid bilayers specifically, has great potential in biomolecular and biotechnological research. Of current special interest is the immobilization of proteins using supramolecular noncovalent interactions. This allows for a reversible immobilization and obviates the use of harsh ligation conditions that could denature fragile proteins. In the work presented here, reversible supramolecular immobilization of proteins on lipid bilayer surfaces was achieved by using the host–guest interaction of the macrocyclic molecule cucurbit[8]uril. A fluorescent protein was successfully immobilized on the lipid bilayer by making use of the property of cucurbit[8]uril to host together a methylviologen and the indole of a tryptophan positioned on the N‐terminal of the protein. The supramolecular complex was anchored to the bilayer through a cholesterol moiety that was attached to the methylviologen tethered with a small polyethylene glycol spacer. Protein immobilization studies using a quartz crystal microbalance (QCM) showed the assembly of the supramolecular complexes on the bilayer. Specific immobilization through the protein N‐terminus is more efficient than through protein side‐chain events. Reversible surface release of the proteins could be achieved by washing with cucurbit[8]uril or buffer alone. The described system shows the potential of supramolecular assembly of proteins and provides a method for site‐specific protein immobilization under mild conditions in a reversible manner.
Ab Initio Molecular Dynamics with Explicit Solvent Reveals a Two‐Step Pathway in the Frustrated Lewis Pair Reaction
Authors: Pu Maoping , Privalov Timofei 
Published: November 2015

AbstractThe role solvent plays in reactions involving frustrated Lewis pairs (FLPs)—for example, the stoichiometric mixture of a bulky Lewis acid and a bulky Lewis base—still remains largely unexplored at the molecular level. For a reaction of the phosphorus/boron FLP and dissolved CO2 gas, first principles (Born–Oppenheimer) molecular dynamics with explicit solvent reveals a hitherto unknown two‐step reaction pathway—one that complements the concerted (one‐step) mechanism known from the minimum‐energy‐path calculations. The rationalization of the discovered reaction pathway—that is, the stepwise formation of PC and OB bonds—is that the environment (typical organic solvents) stabilizes an intermediate which results from nucleophilic attack of the phosphorus Lewis base on CO2. This finding is significant because presently the concerted reaction‐path paradigm predominates in the rationalization of FLP reactivity. Herein we point out how to attain experimental proof of our results.
Deciphering a 20‐Year‐Old Conundrum: The Mechanisms of Reduction by the Water/Amine/SmI2 Mixture
Authors: Maity Sandeepan , Hoz Shmaryahu 
Published: November 2015

AbstractThe reaction of SmI2 with the substrates 3‐methyl‐2‐butanone, benzyl chloride, p‐cyanobenzyl chloride, and anthracene were studied in the presence of water and an amine. In all cases, the water content versus rate profile shows a maximum at around 0.2 M H2O. The rate versus amine content profile shows in all cases, except for benzyl chloride, saturation behavior, which is typical of a change in the identity of the rate‐determining step. The mechanism that is in agreement with the observed data is that electron transfer occurs in the first step. With substrates that are not very electrophilic, the intermediate radical anions lose the added electron back to samarium(III) relatively quickly and the reaction cannot progress efficiently. However, in a mixture of water/amine, the amine deprotonates a molecule of water coordinated to samarium(III). The negatively charged hydroxide, which is coordinated to samarium(III), reduces its electrophilicity, and therefore, lowers the rate of back electron transfer, which allows the reaction to progress. In the case of benzyl chloride, in which electron transfer is rate determining, deprotonation by the amine is coupled to the electron‐transfer step.
INES – An Interface Between Experiments and Simulation to Support the Development of Robust Process Designs
Authors: Asprion Norbert , Benfer Regina , Blagov Sergej , Böttcher Roger , Bortz Michael , Berezhnyi Maksym , Burger Jakob , Harbou Erik von , Küfer Karl‐Heinz , Hasse Hans 
Published: November 2015

AbstractThe development of chemical processes is based on both experiments and process simulations. Data evaluation and reconciliation, model development and validation, and design of experiments are essential steps in this procedure. The different tools and approaches available are usually not supported in an integrated way in the process developer's workflow. Therefore, a framework for process design was created and integrated in a tool box which supports process design comprehensively. It contains methods for data selection and reconciliation, sensitivity analysis, model validation and model adjustment.
Cu2S/ZnS Heterostructured Nanorods: Cation Exchange vs. Solution–Liquid–Solid‐like Growth
Authors: Zhai You , Shim Moonsub 
Published: November 2015

AbstractCu2S/ZnS heterostructured nanorods (HNRs) with uncommon morphologies are achieved through single‐pot and multi‐batch synthetic strategies. In both cases, Cu2S NRs form first, which then undergo partial cation exchange and solution–liquid–solid (SLS)‐like growth catalyzed by the remaining Cu2S parts of the NRs. The location and the volume of ZnS achieved through partial cation exchange control the size of the Cu2S catalysts, which in turn determine whether tapered rod–rod, body/tail, or barbell‐like structure results from subsequent SLS‐like growth. Concurrent cation exchange can sometimes cause Cu2S catalysts to be lost during SLS‐like growth, leading to further diversity in achievable morphologies of Cu2S/ZnS HNRs. Additional insights are gained on how parameters such as Zn precursor, ligand choice, and concentration alter cation exchange and SLS‐like growth steps.
Immunoproteasomes edit tumors, which then escapes immune recognition
Authors: Joyce Sebastian 
Published: November 2015

In 1985, John Monaco—the discoverer of LMP‐2 and ‐7, the inducible components of the immunoproteasome—asked his advanced immunology class as to why the MHC region contained not only structural genes, but several others as well, whose functions were then unknown. As we drew a blank, he quipped: perchance because many of the MHC genes are induced by IFN‐γ! The ensuing three decades have witnessed the unveiling of the profound fundamental and clinical implications of that classroom tête–à–tête. Amongst its multitudinous effects, IFN‐γ induces genes enhancing antigen processing and presentation to T cells; such as those encoding cellular proteases and activators of proteases. In this issue, Keller et al. [Eur. J. Immunol. 2015. 45: 3257–3268] demonstrate that the limited success of MART‐1/Melan‐A‐targeted immunotherapy in melanoma patients could be due to inefficient MART‐126—35 presentation, owing to the proteolytic activities of IFN‐γ‐inducible β2i/MECL‐1, proteasome activator 28 (PA28), and endoplasmic reticulum‐associated aminopeptidase‐associated with antigen processing (ERAP). Specifically, whilst β2i and PA28 impede MART‐126—35 liberation from its precursor protein, ERAP‐1 degrades this epitope. Hence, critical to effective cancer immunotherapy is deep knowledge of T‐cell‐targeted tumor antigens and how cellular proteases generate protective epitope(s) from them, or destroy them.
Synthesis, Structure, and Magnetic Properties of Phosphinate‐Bridged Hexanuclear FeIII Complexes Containing Two Butterfly‐Shaped Fe3O Cores
Authors: Goura Joydeb , Oyarzabal Itziar , Colacio Enrique , Chandrasekhar Vadapalli 
Published: November 2015

AbstractThe reaction of FeIII salts with 1,1,2,3,3‐pentamethyltrimethylenephosphinic acid [cycPO2H] or dicyclohexylphosphinic acid [(C6H11)2PO2H] along with pivalic acid in the presence of triethylamine leads to the formation of two hexanuclear iron(III) clusters: [FeIII6(μ3‐O)2(μ‐OH)2(μ‐cycPO2)6(μ‐tBuCO2)6(η1‐tBuCO2H)2]·4CH3CN·3CH2Cl2 (1) and [FeIII6(μ3‐O)2(μ‐OH)2{μ‐(C6H11)2PO2}6(μ‐tBuCO2)6(η1‐OH2)2]·2CH3CN·CH2Cl2 (2). These complexes are made up of two butterfly‐shaped {FeIII3O} subunits that are joined to each other by two bridging phosphinate ligands. In addition, the formation of 1 and 2 is assisted by μ3‐O, μ‐OH, and pivalate ligands. Variable‐temperature magnetic susceptibility measurements of complexes 1 and 2 reveal medium to strong antiferromagnetic interactions between the FeIII ions inside the Fe3O subunits and weak inter‐trinuclear antiferromagnetic interactions through the bridging phosphinate ligands. The triangular topology of the Fe3O subunits gives rise to competing antiferromagnetic interactions and spin frustration. The different relative magnitudes of the competing interactions leads to S = 5/2 and S = 1/2 ground spin states for the Fe3O subunits in 1 and 2, respectively.
Exploring the Solid‐Phase Synthesis of ­Sulfotyrosine Peptides
Authors: Vale Nuno , Carvalho Veloso Rita , Gomes Paula 
Published: November 2015

AbstractTyrosine sulfation is a common post‐translational modification operative in many biological processes, including hemostasis and intracellular trafficking. However, the precise structural and functional role of sulfotyrosine residues is not fully understood, so there is a demand for further detailed studies on the role of tyrosine sulfation in biochemical processes. Unfortunately, studies on the biological roles of tyrosine sulfation are hampered by difficulties in gaining access to large quantities of high‐purity and homogeneous sulfoproteins and sulfopeptides. This, however, may be addressed by appropriate solid‐phase peptide synthesis strategies, and these constitute the core subject of this review. An overview of efficient approaches to the synthesis of sulfopeptides and their associated pros and cons is presented.
Pd/C‐Catalyzed Alkylation of Heterocyclic Nucleophiles with Alcohols through the “Borrowing Hydrogen” Process
Authors: Putra Anggi Eka , Oe Yohei , Ohta Tetsuo 
Published: November 2015

AbstractThe alkylation of heterocyclic compounds is important for the synthesis of various biologically active compounds. In this paper, we present the development of a Pd/C‐catalyzed alkylation of heterocyclic compounds using alcohols as the alkylating agents. This method gives the corresponding alkylated heterocyclic compounds in high yields (up to 99 %). The commercially available catalyst can be recovered and reused five times without significant loss of catalytic efficiency, and the turnover number (TON) was as high as 900. Moreover, the reaction could be scaled up.
Breaking and Making of Rings: A Method for the Preparation of 4‐Quinolone‐3‐carb­oxylic Acid Amides and the Expensive Drug Ivacaftor
Authors: Vasudevan N. , Jachak Gorakhnath R. , Reddy D. Srinivasa 
Published: November 2015

AbstractA simple and convenient method to access 4‐quinolone‐3‐carboxylic acid amides from indole‐3‐acetic acid amides through one‐pot oxidative cleavage of the indole ring followed by condensation (Witkop–Winterfeldt type oxidation) was explored. The scope of the method was confirmed with more than 20 examples and was successfully applied to the synthesis of the drug Ivacaftor, the most expensive drug on the market.
Copper‐Catalysed Cascade Synthesis of Imidazolidine–Benzothiazole and Imid­azolidine–Tetrazole Hybrid Heterocycles from Bis‐thioureas by a Desulfurisation Strategy
Authors: Ganesh Majji , Sahoo Santosh K. , Khatun Nilufa , Patel Bhisma K. 
Published: November 2015

AbstractThe in situ generated bis‐thioureas obtained by treating aryl/alkyl isothiocyanates with aliphatic 1,2‐diamines, upon treatment with CuI or CuII salts, depending on their quantity and the reaction conditions, furnished either imidazolidinecarbothioamide (ImCAT) or imidazolidine–benzothiazole (ImBT) hybrid molecules. The same reactions in the presence of sodium azide yielded imidazolidine–tetrazoles (ImTets). The products were obtained in good yields at room temperature with all these processes taking place in a single pot. This is a perfect illustration of Cu salts serving as both desulfurising as well as C–H activating agents at ambient temperature.
Rapid Access to Polyfunctionalized 3,4‐Dihydroquinazolinones through a Sequential N‐Acyliminium Ion Mannich Reaction Cascade
Authors: Sawant Rajiv T. , Stevens Marc Y. , Odell Luke R. 
Published: November 2015

AbstractA microwave‐promoted one‐pot, three‐component sequential cyclization‐Mannich reaction of unactivated ketones, o‐formyl carbamates and primary amines has been developed. Cyclic N‐acyliminium ions are generated in situ from the carbamate and amine starting materials. This metal‐free cascade protocol provides rapid access to structurally diverse 3,4‐dihydroquinazolinones in good to excellent yields with high regioselectivity for the terminal methyl group, in the case of unsymmetrical methyl alkyl ketones. Key features of the developed protocol include its operational simplicity, ease of product purification, and wide functional group tolerance.
Frequency of full, partial and no recovery from subsyndromal deliriumin older hospital inpatients
Authors: Cole Martin G. , Bailey Robert , Bonnycastle Michael , McCusker Jane , Fung Shek , Ciampi Antonio , Belzile Eric 
Published: November 2015

ObjectivesTo determine the frequencies of full, partial and no recovery from subsyndromal delirium (SSD) in older hospital inpatients. A secondary objective was to compare the recovery status of patients with SSD or delirium.MethodsSSD was defined as acute onset of one or more Confusion Assessment Method core symptoms of delirium (fluctuation, inattention, disorganized thinking and altered level of consciousness) not meeting criteria for delirium and not progressing to delirium. The recovery status of medical or surgical inpatients aged 65 and older with SSD was assessed approximately 1 and 3 months after enrolment. Primary outcome categories were full recovery (no core symptoms of delirium), partial recovery (presence of one or more core symptoms but fewer symptoms than at enrolment), no recovery (same number of core symptoms as at enrolment) or death. Nominal logistic regression was used to compare the recovery status of patients with SSD or delirium.ResultsTwenty‐eight patients with SSD were enrolled. At the first follow‐up, the frequencies of full, partial and no recovery and death were 40%, 12%, 32% and 16%, respectively; at the second follow‐up, the frequencies were 54%, 8%, 21% and 17%, respectively. The frequency of full recovery was much higher in patients with SSD than delirium.ConclusionSmall study sample size notwithstanding, the majority (54%) of patients with SSD recovered fully, but a substantial proportion (29%) had a protracted course. It may be important to monitor the longer‐term course of SSD and develop strategies to ensure full recovery in all patients. Copyright © 2015 John Wiley & Sons, Ltd.