bluuebunny/crossref_metadata_2025_split huggingface dataset:
Amide‐Directed C−H Sodiation by a Sodium Hydride/Iodide Composite
Authors: Huang Yinhua , Chan Guo Hao , Chiba Shunsuke 
Published: April 2017

AbstractA new protocol for amide‐directed ortho and lateral C−H sodiation is enabled by sodium hydride (NaH) in the presence of either sodium iodide (NaI) or lithium iodide (LiI). The transient organosodium intermediates could be transformed into functionalized aromatic compounds.
Analyzing Reaction Rates with the Distortion/Interaction‐Activation Strain Model
Authors: Bickelhaupt F. Matthias , Houk Kendall N. 
Published: April 2017

AbstractThe activation strain or distortion/interaction model is a tool to analyze activation barriers that determine reaction rates. For bimolecular reactions, the activation energies are the sum of the energies to distort the reactants into geometries they have in transition states plus the interaction energies between the two distorted molecules. The energy required to distort the molecules is called the activation strain or distortion energy. This energy is the principal contributor to the activation barrier. The transition state occurs when this activation strain is overcome by the stabilizing interaction energy. Following the changes in these energies along the reaction coordinate gives insights into the factors controlling reactivity. This model has been applied to reactions of all types in both organic and inorganic chemistry, including substitutions and eliminations, cycloadditions, and several types of organometallic reactions.
Thermal behavior of extruded and injection‐molded poly(lactic acid)–talc engineered biocomposites: Effects of material design, thermal history, and shear stresses during melt processing
Authors: Barletta M. , Pizzi E. , Puopolo M. , Vesco S. , Daneshvar‐Fatah F. 
Published: April 2017

ABSTRACTReinforced biocomposites were compounded by the reactive extrusion of poly(lactic acid) (PLA) and chemically modified microlamellar talcs. Talc was functionalized by the hydrolysis and condensation reaction of its surface hydroxyl groups with different kinds of organosilanes, namely, 3‐aminopropyl triethoxysilane and (3‐glycidoxypropyl)trimethoxysilane, and commercially available tri‐isocyanates, namely, Bayhydur 3100 and Desmodur 3900, which feature hydrophilic and hydrophobic behaviors, respectively. PLA–talc biocomposites were also compounded by the addition of two types of reactive biodegradable compatibilizing agents, namely, maleic anhydride and glycidyl methacrylate modified PLA. The resulting compounds were melt‐processed by injection molding to get flat substrates with different formulations. The thermal responses of the extruded compounds and injection‐molded items, specifically the first and second thermal transitions, were analyzed by differential scanning calorimetry. In particular, the influence of the different material formulations, their thermal history, and/or shear stress in single‐ or multiple‐stage heating and/or melt processing on the glass transition, crystallinity, and melting behavior of the biocomposites was investigated. The experimental findings revealed that the macroscopic thermal response of the compounds (i.e., extruded pellets) and substrates (i.e., injection‐molded flat slabs) manufactured by the melt processing of the available formulations was controlled and significantly improved by the fine‐tuning of the chemical (i.e., reaction mechanisms, chemical bonds) and physical interactions (i.e., steric hindrances, physical bonds) among the modified talc, PLA, and compatibilizing agents. These results are of great practical importance and open up broader scenarios for the industrial application of biopolymers and biocomposites, specifically in all of those consumer goods where thermal stability and the preservation of mechanical performance at moderate and high temperatures of the materials are pivotal. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45179.
Solution of six chemical engineering problems using the Chebyshev orthogonal collocation technique
Authors: Binous Housam , Kaddeche Slim , Bellagi Ahmed 
Published: April 2017

AbstractThe Chebyshev orthogonal collocation is a powerful and accurate numerical technique, which is also relatively easy to implement using modern mathematical software (e.g., MATHEMATICA
© and MATLAB
®). This technique allows the elucidation of engineering problems involving partial differentials equations or boundary value problems. Six chemical engineering problems concerning the transfer of momentum, heat, and mass, with varying degree of complexity, are elucidated. The results obtained using the subject numerical technique were systematically bench‐marked against the results derived from alternative approaches. Benchmarking indicates good agreement between the results, despite the simplicity of this technique. Thus, this technique has a great potential for the elucidation of problems, for which no known solutions exist.
Sex Hormones Function as Sex Attractant Pheromones in House Mice and Brown Rats
Authors: Takács Stephen , Gries Regine , Gries Gerhard 
Published: April 2017

AbstractSex hormones of mammals control the expression of sexual characteristics and bodily functions. The male hormone testosterone and the female hormones progesterone and estradiol are known to occur in urine markings of mice. Here, we show that all three hormones are also present in urine of brown rats, and that they are effective sexual communication signals (pheromones) that elicit attraction behavior of prospective mates in both brown rats and house mice. When added as lures to trap boxes in field experiments, synthetic testosterone, for example, increased captures of adult female mice 15‐fold, and a blend of progesterone and estradiol increased captures of male mice eightfold and male rats 13‐fold. Remarkably, these hormones increased captures even though the food‐ and pheromone‐based baits to which they were added had previously been shown to be superior to current commercial rodent attractants. We predict that these sex hormones will function as sex attractant pheromones in diverse taxa.
Rational Design of Nanobody80 Loop Peptidomimetics: Towards Biased β2 Adrenergic Receptor Ligands
Authors: Martin Charlotte , Moors Samuel L. C. , Danielsen Mia , Betti Cecilia , Fabris Cecilia , Sejer Pedersen Daniel , Pardon Els , Peyressatre Marion , Fehér Krisztina , Martins José C. , Mosolff Mathiesen Jesper , Morris May C. , Devoogdt Nick , Caveliers Vicky , De Proft Frank , Steyaert Jan , Ballet Steven 
Published: April 2017

AbstractG protein‐coupled receptors (GPCRs) play an important role in many cellular responses; as such, their mechanism of action is of utmost interest. To gain insight into the active conformation of GPCRs, the X‐ray crystal structures of nanobody (Nb)‐stabilized β2‐adrenergic receptor (β2AR) have been reported. Nb80, in particular, is able to bind the intracellular G protein binding site of β2AR and stabilize the receptor in an active conformation. Within Nb80, the complementarity‐determining region 3 (CDR3) is responsible for most of the binding interactions. Hence, we hypothesized that peptidomimetics of the CDR3 loop might be sufficient for binding to the receptor, inhibiting the interaction of β2AR with intracellular GPCR interacting proteins (e.g., G proteins). Based on previous crystallographic data, a set of peptidomimetics were synthesized that, similar to the Nb80 CDR3 loop, adopt a β‐hairpin conformation. Syntheses, conformational analysis, binding and functional in vitro assays, as well as internalization experiments, were performed. We demonstrate that peptidomimetics can structurally mimic the CDR3 loop of a nanobody and its function by inhibiting G protein coupling as measured by partial inhibition of cAMP production.
Metal‐Free Arene and Heteroarene Borylation Catalyzed by Strongly Electrophilic Bis‐boranes
Authors: Liu Yun‐Lin , Kehr Gerald , Daniliuc Constantin G. , Erker Gerhard 
Published: April 2017

AbstractThe geminal chelate bis‐borylalkanes 4 and 5 featuring strongly electrophilic B(C6F5)2 and B(C6F5) groups, respectively, serve as efficient catalysts for the borylation of arenes and heteroarenes. The borylation reactions proceed under mild conditions with liberation of dihydrogen.
Identifying outlier opinions in an online intelligent argumentation system
Authors: Arvapally Ravi S. , Liu Xiaoqing Frank , Nah Fiona Fui‐Hoon , Jiang Wei 
Published: April 2017

SummaryOnline argumentation systems enable stakeholders to post their problems under consideration and solution alternatives and to exchange arguments over the alternatives posted in an argumentation tree. In an argumentation process, stakeholders have their own opinions, which very often contrast and conflict with opinions of others. Some of these opinions may be outliers with respect to the mean group opinion. This paper presents a method for identifying stakeholders with outlier opinions in an argumentation process. It detects outlier opinions on the basis of individual stakeholder's opinions, as well as collective opinions on them from other stakeholders. Decision makers and other participants in an argumentation process therefore have an opportunity to explore the outlier opinions within their groups from both individual and group perspectives. In a large argumentation tree, it is often difficult to identify stakeholders with outlier opinions manually. The system presented in this paper identifies them automatically. Experiments are presented to evaluate the proposed method. Their results show that the method detects outlier opinions in an online argumentation process effectively.
Measuring lip force by oral screens. Part 1: Importance of screen size and individual variability
Authors: Wertsén Madeleine , Stenberg Manne 
Published: April 2017

AbstractTo reduce drooling and facilitate food transport in rehabilitation of patients with oral motor dysfunction, lip force can be trained using an oral screen. Longitudinal studies evaluating the effect of training require objective methods. The aim of this study was to evaluate a method for measuring lip strength, to investigate normal values and fluctuation of lip force in healthy adults on 1 occasion and over time, to study how the size of the screen affects the force, to evaluate the most appropriate measure of reliability, and to identify force performed in relation to gender. Three different sizes of oral screens were used to measure the lip force for 24 healthy adults on 3 different occasions, during a period of 6 months, using an apparatus based on strain gauge. The maximum lip force as evaluated with this method depends on the area of the screen size. By calculating the projected area of the screen, the lip force could be normalized to an oral screen pressure quantity expressed in kPa, which can be used for comparing measurements from screens with different sizes. Both the mean value and standard deviation were shown to vary between individuals. The study showed no differences regarding gender and only small variation with age. Normal variation over time (months) may be up to 3 times greater than the standard error of measurement at a certain occasion. The lip force increases in relation to the projected area of the screen. No general standard deviation can be assigned to the method and all measurements should be analyzed individually based on oral screen pressure to compensate for different screen sizes.
Two cases of adenocarcinoma in situ arising in lobular endocervical glandular hyperplasia indicating localization of mucin on the cluster surface as an early cytological finding of malignant transformation
Authors: Okuyama Rikiya , Hashimoto Hirotsugu , Miura Tamaki , Sugita Masatoshi , Arai Masakazu , Tsunoda Hajime , Sasajima Yuko , Horiuchi Hajime 
Published: April 2017

AbstractLobular endocervical glandular hyperplasia (LEGH) is an endocervical glandular hyperplastic lesion containing pyloric gland‐like mucin, and has recently been recognized as a precursor lesion of malignant glandular lesions of the endocervix. The pyloric gland‐like mucin contained in LEGH and gastric‐type adenocarcinoma is observed as golden‐yellowish by Papanicolaou staining. However, to our knowledge, the chronological course of the endocervical cytology of LEGH, eventually resulting in malignancy, has never been demonstrated to date. Here, we report two cases of gastric‐type adenocarcinoma in situ (AIS) arising in LEGH, together with an analysis of their cytological course. In both cases, localization of mucin on the surface of glandular cell clusters was observed prior to nuclear atypia in endocervical cytology. In addition, the diagnosis of gastric‐type AIS arising in LEGH was confirmed by pathological diagnosis of hysterectomy specimens in both cases. Histologically, all glandular cells of the LEGH without nuclear atypia contained a large amount of PAS‐positive mucin. On the other hand, in atypical glandular cells, localization of the mucin on the luminal surface was observed, although mucin was abundant throughout the cytoplasm in some areas. Our cases show the course of acquirement of cytological atypia of LEGH, and indicate the significance of localization of mucin on the surface of glandular cell clusters as an early finding of the malignant transformation of LEGH in endocervical cytology. Our results indicate that the distribution of mucin in glandular cells should be analyzed together with nuclear atypia in the endocervical cytology of suspected cases of LEGH.
Homogeneous Electrochemical Assay for Real‐time Monitoring of Exonuclease III Activity Based on a Graphene Monolayer
Authors: Lee Heon‐Kyu , Heo Jihye , Myung Sung , Shin Ik‐Soo , Kim Tae Hyun 
Published: April 2017

AbstractA homogeneous electrochemical assay based on a graphene monolayer electrode was developed for simple, sensitive, rapid and quantitative analysis of the exonuclease III (Exo III) activity. The method utilized a methylene blue (MB) tagged DNA substrate with hairpin structure, and a graphene monolayer attached on the working electrode. Before digestion, the hairpin structure prevents the adsorption of the DNA substrate to the graphene surface. Degradation of the substrate by the 3′–5′ Exo III, however, yields single‐stranded DNA (ssDNA), resulting in its subsequent binding to the graphene surface through π‐π stacking, which produces the voltammetric current from electrochemical reduction of the MB tag anchoring at the end of ssDNA. A direct quantification of the Exo III activity can be achieved by measuring the reductive peak current of the MB tag under easily attainable potential (∼ −0.1 V vs Ag/AgCl) range comparably sensitive to the conventional methods such as a gel‐based or fluorescence‐based assays. Our approach can be applied to measure various exonucleases activity by adjusting the structure of DNA substrate suggesting a new assay method in drug screening and basic research related to the enzymes.
An integrated analysis of non‐renewable energy use, GHG emissions, carbon efficiency of groundnut sole cropping and groundnut‐bean intercropping agro‐ecosystems
Authors: Firouzi Saeed , Nikkhah Amin , Rosentrater Kurt A. 
Published: April 2017

The aim of this study was to investigate the non‐renewable energy use efficiency, greenhouse gas (GHG) emissions, and carbon efficiency of groundnut sole cropping and groundnut‐bean intercropping agro‐ecosystems. Data were collected from 136 farmers using face‐to‐face questionnaires in the Kiashahr region of northern Iran. The results analysis suggested that the non‐renewable energy ratio of groundnut‐bean intercrop agro‐ecosystem (6.03) was greater than that of groundnut sole cropping system (4.59). The highest share of non‐renewable energy belonged to diesel fuel, which was followed by the nitrogen fertilizer for both systems. This demonstrates the importance of fossil fuel and N fertilizer use management in both agro‐ecosystems. The total GHG emissions from groundnut and groundnut‐bean intercrop agro‐ecosystems were computed as 636.14 and 657.36 kgCO2eq ha−1, respectively. The highest impact of GHG emissions was from diesel fuel within both farming systems, confirming the prominent role of the fossil fuel input again. The carbon efficiency for groundnut‐bean intercrop agro‐ecosystem (14.78) was greater than that of the groundnut sole cropping system (11.14). Therefore, groundnut‐bean agro‐ecosystem can be observed to be more effective for carbon sequestration. The use of greater amounts of biological resources helps to improve the efficiency of energy use and mitigation of GHG emissions in both agro‐ecosystems. © 2017 American Institute of Chemical Engineers Environ Prog, 36: 1832–1839, 2017
Adsorption on activated carbon derived from tannery fleshing waste: Adsorption isotherms, thermodynamics, and kinetics
Authors: Palani Yuvaraj , Rao Jonnalagadda Raghava , Fathima Nishter Nishad 
Published: April 2017

Fleshings, an abundant protein source are disposed in large quantity as a solid tannery wastes. Herein, an approach for complete utilization of pre‐treated fleshing waste has been developed to obtain functional rich activated carbon, which can be used as bio‐adsorbent for the removal of chromium(VI) from aqueous solution. In this study, Functional rich Fleshing Waste Activated Carbon (FWAC) was characterized by Thermogravimetric analysis (TGA), (Brunauer–Emmett–Teller) BET, Fourier Transform Infrared Spectroscopy (FT‐IR) and (Scanning Electron Microscope) SEM analysis. The thermal and FT‐IR studies showed innovative functionalities with superior physico‐chemical properties. The functional rich bio‐adsorbent provided greater opportunity to utilise this material as an adsorbent for trapping toxic metal ions. The maximum adsorption capacity of functional rich bio‐adsorbent was found to be 60.8 mg g−1. Effect of pH, temperature, adsorbent dose and metal ion concentration on adsorption of metal ions were thoroughly investigated also the kinetics and thermodynamic study were carried out. The maximum removal of chromium was obtained at pH 3 with ≥97% for about 0.5 g adsorption dose of 100 mg L−1 initial concentration. The fleshings dealt out as solid tannery wastes, now provides ample solution for ecological crisis of toxic chromium(VI). © 2017 American Institute of Chemical Engineers Environ Prog, 36: 1725–1733, 2017
What can we learn from the fifties?
Authors: Gouret Fabian 
Published: April 2017

AbstractEconomists have increasingly elicited probabilistic expectations from survey respondents. Subjective probabilistic expectations show great promise to improve the estimation of structural models of decision making under uncertainty. However, a robust finding in these surveys is an inappropriate heap of responses at “50%,” suggesting that some of these responses are uninformative. The way these 50s are treated in the subsequent analysis is of major importance. Taking the 50s at face value will bias any aggregate statistics. Conversely, deleting them is not appropriate if some of these answers do convey some information. Furthermore, the attention of researchers is so focused on this heap of 50s that they do not consider the possibility that other answers may be uninformative as well. This paper proposes to take a fresh look at these questions using a new method based on weak assumptions to identify the informativeness of an answer. Applying the method to probabilistic expectations of equity returns in three waves of the Survey of Economic Expectations in 1999–2001, I find that: (i) at least 65% of the 50s convey no information at all; (ii) it is the answer most often provided among the answers identified as uninformative; (iii) but even if the 50s are a major contributor to noise, they represent at best 70% of the identified uninformative answers. These findings have various implications for survey design.
A Development in Direct Borohydride/Hydrogen Peroxide Fuel Cell Using Nanostructured Ni‐Pt/C Anode
Authors: Abdolmaleki M. , Hosseini M. G. 
Published: April 2017

AbstractA direct borohydride fuel cell (DBFC) using H2O2 as oxidizer has been developed. The NaBH4/H2O2 fuel cell is assembled by using Ni‐Pt/C composite as anode catalyst, Pt/C as cathode catalyst, and Nafion® membrane as electrolyte. The compositions, morphology and particle sizes and of catalysts are evaluated by means of scanning electron microscopy (SEM), energy‐dispersive X‐ray spectroscopy (EDS), scanning electron microscopy and transmission electron microscopy (TEM), respectively. TEM images show that Ni‐Pt/C nanoparticles have an even size distribution with an average diameter of less than 20 nm. In this work, DBFC performance is studied under different operation conditions including operation temperature, borohydride concentration, and oxidant concentration. The experimental results show that the power density increased by increasing the temperature and increasing the concentration of oxidant. Experiments also show that electrochemical performance is not considerably affected by NaBH4 concentration. So that, it is found that 1.5M NaBH4 concentration is optimum for DBFC operation. A maximum power density of 140 mW cm−2 or 0.11 mW µg−1Pt total has been achieved at a cell voltage of 1.011 V at 55 °C. The cell is operated for about 72 h and its performance stability is recorded.
Triode Solid Oxide Fuel Cell Operation Under Sulfur‐Poisoning Conditions
Authors: Caliandro P. , Diethelm S. , Van herle J. 
Published: April 2017

AbstractThe triode solid oxide fuel cell (SOFC) is a three electrodes configuration. The third electrode, so‐called auxiliary, is connected in a way to run in electrolysis mode, while cathode and anode operate in normal fuel cell mode. This mixed operation allows to reach anode–cathode potential differences which are not accessible in normal operation. In this work, the benefits of triode operation under sulfur‐poisoning conditions are shown. In particular, the difference between conventional and triode operation mode under 2ppm of H2S in H2 are analyzed. The partial reversibility of sulfur poisoning is investigated and the observed regeneration processes are discussed for both the conventional and triode operation. After each sequence of exposure and regeneration, IV and EIS characteristics are taken. The electrochemical impedance spectra are further processed by computing the distribution of relaxation times (DRT). During triode operation, less degradation during exposure and faster stabilization after exposure and regeneration with respect to conventional operation mode are observed.
Utilizing a Segmented Fuel Cell to Study the Effects of Electrode Coating Irregularities on PEM Fuel Cell Initial Performance
Authors: Phillips A. , Ulsh M. , Porter J. , Bender G. 
Published: April 2017

AbstractAn understanding of the impact of coating irregularities on beginning of life polymer electrolyte fuel cell (PEMFC) performance is essential to develop and establish manufacturing tolerances for its components. Coating irregularities occurring in the fuel cell electrode can either possess acceptable process variations or potentially harmful defects. A segmented fuel cell (SFC) is employed to understand how 100% catalyst reduction irregularities ranging from 0.125 to 1 cm2 in the cathode electrode of a 50 cm2 sized cell impact spatial and total cell performance at dry and wet humidification conditions. By analyzing the data in a differential format the local performance effects of irregularity sizes down to 0.25 cm2 were detected in the current distribution of the cell. Slight total cell performance impacts, due to irregularity sizes of 0.5 and 1 cm2, were observed under dry operation and high current densities.