bluuebunny/crossref_metadata_2025 huggingface dataset:
Toward a continuous synthesis of porous carbon xerogel beads
Authors: Eskenazi David , Kreit Patrick , Pirard Jean‐Paul , Job Nathalie , Compère Philippe
Published: December 2017

A continuous process for producing porous carbon xerogel beads has been developed. It consists in injecting a pre‐cured aqueous solution of resorcinol and formaldehyde on top of a column filled with hot oleic acid. The latter is pumped on the top of the column and fed at the bottom, generating an upward flow that can be adjusted to match the terminal velocity of the settling beads. Thus, the bead residence time in the column can be adjusted to match the gelation time, allowing the beads to solidify before reaching the bottom of the vessel. The obtained beads are subsequently dried and pyrolyzed. The developed experimental setup proved the continuous synthesis of porous carbon beads is possible. Nevertheless, the shaping process caused various texture changes of the porous carbon, which mainly yields macropores instead of micro and mesopores. This process also leads to the build‐up of a denser skin around the beads. © 2018 American Institute of Chemical Engineers AIChE J, 64: 1049–1058, 2018
Surface nonuniformities in latex paints due to evaporative mechanisms
Authors: Sutton Kaylee B. , Clemons Curtis B. , Kreider Kevin L. , Wilber John P. , Young Gerrald W.
Published: December 2017

A model is developed for predicting long‐wavelength nonuniformities in the thickness of drying latex paint films. The model includes the effects of temperature, latex particle volume fraction, surface surfactant density, bulk surfactant density, and several material and environmental factors. After the model is simplified by applying the lubrication approximation, equations for spatially independent base state solutions are derived. The base state solutions describe a drying latex paint film of uniform thickness. The equations for the base states are solved numerically and a linear stability analysis is conducted. This analysis indicates that evaporation, slow surfactant kinetics, low initial surface tension, substrate permeability, and high initial latex particle volume fractions destabilize the uniform film, while fast surfactant kinetics, high initial surface tension, and high viscosity are stabilizing. © 2017 American Institute of Chemical Engineers AIChE J, 64: 1841–1858, 2018
A test of the preauricular sulcus as an indicator of sex
Authors: Karsten Jordan K.
Published: December 2017

Objectives

Although the presence of a preauricular sulcus is often cited as an indicator of female sex, very little research has been conducted to substantiate this claim. This article examines both the relationship between the incidence and morphology of the preauricular sulcus and sex.

Materials and methods

A total of 500 left ossa coxae from the Hamann‐Todd Human Osteological Collection belonging to 261 males and 239 females were examined to investigate the relationship between the preauricular sulcus and sex. The sample includes both American Blacks and Whites. Each individual was scored based on groove presence and morphology. Differences between the sexes in terms of overall prevalence and morphology were investigated using chi‐squared tests. Additionally, possible relationships between ancestry and the manifestation of the preauricular sulcus were investigated using multiple regression analysis.

Results

Overall, the presence or absence of the preauricular sulcus resulted in correct sex assessment in 75.8% of ossa coxae. However, the accuracy differed between the sexes, with 62.84% of males and 89.96% of females being assessed correctly. Males were significantly more likely to display a short, narrow sulcus (score 4) than females, whereas females were observed to be significantly more likely to have a wide, long sulcus. Ancestry was not related to sulcus manifestation.

Discussion

The results presented here suggest that the presence of a preauricular sulcus should not be considered positive proof of female sex. However, the complete lack of a sulcus could be considered suggestive of male sex.
The Terracol and Ardouin developmental model of frontal sinus drainage pathway and surrounding spaces: a radiologic validation
Authors: Ferrari Marco , Schreiber Alberto , Mattavelli Davide , Rampinelli Vittorio , Buffoli Barbara , Ravanelli Marco , Bettinsoli Matteo , Rodella Luigi F. , Nicolai Piero
Published: December 2017

Background

The complexity of the frontal sinus drainage pathway (FSDP) can be challenging even for expert surgeons. Several classifications have been proposed to simplify the understanding of FSDP, whose anatomical variability can be simplified based on the knowledge of its developmental mechanisms.

Methods

Cone‐beam computed tomography studies performed at the Unit of Radiology of the University of Brescia between March and November 2012 were retrospectively analyzed. FSDP was classified as medial or lateral to the vertical portion of the uncinate process and the following anatomical variants were studied: agger nasi cell, Kuhn's cells, suprabullar cell, supraorbital ethmoid cell, suprabullar frontal cell, and frontal septal cell. The developmental model of the FSDP proposed by Terracol and Ardouin was analyzed and expected associations between the position of the drainage pathway and anatomical variants were formulated. Statistical associations between anatomical variants and the position of FSDP were calculated and compared with expected associations to validate the developmental model.

Results

The anatomical variants of FSDP statistically validated the developmental model of Terracol and Ardouin.

Conclusion

Knowledge of the possible developmental patterns of FSDP helps the surgeon in the understanding of the complexity of the frontoethmoidal region.
Correlation between sinus and lung cultures in lung transplant patients with cystic fibrosis
Authors: Choi Kevin J. , Cheng Tracy Z. , Honeybrook Adam L. , Gray Alice L. , Snyder Laurie D. , Palmer Scott M. , Abi Hachem Ralph , Jang David W.
Published: December 2017

Background

Lung transplantation has revolutionized the treatment of end‐stage pulmonary disease due to cystic fibrosis. However, infection of the transplanted lungs can lead to serious complications, including graft failure and death. Although many of these patients have concurrent sinusitis, it is unclear whether bacteria from the sinuses can infect the allograft.

Methods

This is a single‐institution retrospective study of all patients who underwent lung transplantation for cystic fibrosis from 2005 to 2015 at Duke University Hospital. Pre‐ and posttransplant nasal and pulmonary cultures obtained via nasal endoscopy and bronchoalveolar lavage (BAL), respectively, were analyzed.

Results

A total of 141 patients underwent 144 lung transplants. Sinus cultures were available for 76 patients (12 pretransplant, 42 posttransplant, 22 both pre‐ and posttransplant). Pretransplant BAL cultures were available for 139 patients, and posttransplant BAL cultures were available for all patients. Pseudomonas aeruginosa (PsA) and methicillin‐resistant Staphylococcus aureus (MRSA) were the most common organisms cultured. There was a significant correlation between pretransplant sinus and posttransplant BAL cultures for PsA (p = 0.003), MRSA (p = 0.013), and Burkholderia cepacia (p = 0.001).

Conclusion

There was a high correlation between pretransplant sinus cultures and posttransplant BAL cultures for PsA, MRSA, and Burkholderia sp. This suggests that the paranasal sinuses may act as a reservoir for allograft colonization in patients with cystic fibrosis. Further studies are needed to determine whether treatment of sinusitis affects allograft colonization and transplant outcomes.
Bimetallic Ag‐Pt Sub‐nanometer Supported Clusters as Highly Efficient and Robust Oxidation Catalysts
Authors: Negreiros Fabio R. , Halder Avik , Yin Chunrong , Singh Akansha , Barcaro Giovanni , Sementa Luca , Tyo Eric C. , Pellin Michael J. , Bartling Stephan , Meiwes‐Broer Karl‐Heinz , Seifert Sönke , Sen Prasenjit , Nigam Sandeep , Majumder Chiranjib , Fukui Nobuyuki , Yasumatsu Hisato , Vajda Stefan , Fortunelli Alessandro
Published: December 2017

A combined experimental and theoretical investigation of Ag‐Pt sub‐nanometer clusters as heterogeneous catalysts in the CO→CO2 reaction (COox) is presented. Ag9Pt2 and Ag9Pt3 clusters are size‐selected in the gas phase, deposited on an ultrathin amorphous alumina support, and tested as catalysts experimentally under realistic conditions and by first‐principles simulations at realistic coverage. In situ GISAXS/TPRx demonstrates that the clusters do not sinter or deactivate even after prolonged exposure to reactants at high temperature, and present comparable, extremely high COox catalytic efficiency. Such high activity and stability are ascribed to a synergic role of Ag and Pt in ultranano‐aggregates, in which Pt anchors the clusters to the support and binds and activates two CO molecules, while Ag binds and activates O2, and Ag/Pt surface proximity disfavors poisoning by CO or oxidized species.
A Breathing Atom‐Transfer Radical Polymerization: Fully Oxygen‐Tolerant Polymerization Inspired by Aerobic Respiration of Cells
Authors: Enciso Alan E. , Fu Liye , Russell Alan J. , Matyjaszewski Krzysztof
Published: December 2017

The first well‐controlled aqueous atom‐transfer radical polymerization (ATRP) conducted in the open air is reported. This air‐tolerant ATRP was enabled by the continuous conversion of oxygen to carbon dioxide catalyzed by glucose oxidase (GOx), in the presence of glucose and sodium pyruvate as sequential sacrificial substrates. Controlled polymerization using initiators for continuous activator regeneration (ICAR) ATRP of oligo(ethylene oxide) methyl ether methacrylate (OEOMA, Mn=500) yielded polymers with low dispersity (1.09≤Đ≤1.29) and molecular weights (MWs) close to theoretical values in the presence of pyruvate. Without added pyruvates, lower MWs were observed due to generation of new chains by H2O2 formed by reaction of O2 with GOx. Successful chain extension of POEOMA500 macroinitiator with OEOMA300 (Đ≤1.3) and Bovine Serum Albumin bioconjugates (Đ≤1.22) confirmed a well‐controlled polymerization. The reactions in the open air in larger scale (25 mL) were also successful.
The Molecular Structure of gauche‐1,3‐Butadiene: Experimental Establishment of Non‐planarity
Authors: Baraban Joshua H. , Martin‐Drumel Marie‐Aline , Changala P. Bryan , Eibenberger Sandra , Nava Matthew , Patterson David , Stanton John F. , Ellison G. Barney , McCarthy Michael C.
Published: December 2017

The planarity of the second stable conformer of 1,3‐butadiene, the archetypal diene for the Diels–Alder reaction in which a planar conjugated diene and a dienophile combine to form a ring, is not established. The most recent high level calculations predicted the species to adopt a twisted, gauche structure owing to steric interactions between the inner terminal hydrogens rather than a planar, cis structure favored by the conjugation of the double bonds. The structure cis‐1,3‐butadiene is unambiguously confirmed experimentally to indeed be gauche with a substantial dihedral angle of 34°, in excellent agreement with theory. Observation of two tunneling components indicates that the molecule undergoes facile interconversion between two equivalent enantiomeric forms. Comparison of experimentally determined structures for gauche‐ and trans‐butadiene provides an opportunity to examine the effects of conjugation and steric interactions.
Bioorthogonal Cycloadditions with Sub‐Millisecond Intermediates
Authors: Qing Yujia , Pulcu Gökçe Su , Bell Nicholas A. W. , Bayley Hagan
Published: December 2017

Tetrazine‐ and sydnone‐based click reactions have emerged as important bioconjugation strategies with fast kinetics and N2 or CO2 as the only byproduct. Mechanistic studies of these reactions have focused on the initial rate‐determining cycloaddition steps. The subsequent N2 or CO2 release from the bicyclic intermediates has been approached mainly through computational studies, which have predicted lifetimes of femtoseconds. In the present study, bioorthogonal cycloadditions involving N2 or CO2 extrusion have been examined experimentally at the single‐molecule level by using a protein nanoreactor. At the resolution of this approach, the reactions appeared to occur in a single step, which places an upper limit on the lifetimes of the intermediates of about 80 μs, which is consistent with the computational work.
Controlling the Polymer Microstructure in Anionic Polymerization by Compartmentalization
Authors: Rieger Elisabeth , Blankenburg Jan , Grune Eduard , Wagner Manfred , Landfester Katharina , Wurm Frederik R.
Published: December 2017

An ideal random anionic copolymerization is forced to produce gradient structures by physical separation of two monomers in emulsion compartments. One monomer (M) is preferably soluble in the droplets, while the other one (D) prefers the continuous phase of a DMSO‐in‐cyclohexane emulsion. The living anionic copolymerization of two activated aziridines is thus confined to the DMSO compartments as polymerization occurs selectively in the droplets. Dilution of the continuous phase adjusts the local concentration of monomer D in the droplets and thus the gradient of the resulting copolymer. The copolymerizations in emulsion are monitored by real‐time 1H NMR kinetics, proving a change of the reactivity ratios of the two monomers upon dilution of the continuous phase from ideal random to adjustable gradients by simple dilution.
Reductive Amination by Photoredox Catalysis and Polarity‐Matched Hydrogen Atom Transfer
Authors: Guo Xingwei , Wenger Oliver S.
Published: December 2017

The excitation of a RuII photosensitizer in the presence of ascorbic acid leads to the reduction of iminium ions to electron‐rich α‐aminoalkyl radical intermediates, which are rapidly converted into reductive amination products by thiol‐mediated hydrogen atom transfer (HAT). As a result, the reductive amination of carbonyl compounds with amines by photoredox catalysis proceeds in good to excellent yields and with broad substrate scope and good functional group tolerance. The three key features of this work are 1) the rapid interception of electron‐rich α‐aminoalkyl radical intermediates by polarity‐matched HAT in a photoredox reaction, 2) the method of reductive amination by photoredox catalysis itself, and 3) the application of this new method for temporally and spatially controlled reactions on a solid support, as demonstrated by the attachment of a fluorescent dye on an activated cellulose support by photoredox‐catalyzed reductive amination.
Dynamic Covalent Chemistry within Biphenyl Scaffolds: Reversible Covalent Bonding, Control of Selectivity, and Chirality Sensing with a Single System
Authors: Ni Cailing , Zha Daijun , Ye Hebo , Hai Yu , Zhou Yuntao , Anslyn Eric V. , You Lei
Published: December 2017

Axial chirality is a prevalent and important phenomenon in chemistry. Herein we report a combination of dynamic covalent chemistry and axial chirality for the development of a versatile platform for the binding and chirality sensing of multiple classes of mononucleophiles. An equilibrium between an open aldehyde and its cyclic hemiaminal within biphenyl derivatives enabled the dynamic incorporation of a broad range of alcohols, thiols, primary amines, and secondary amines with high efficiency. Selectivity toward different classes of nucleophiles was also achieved by regulating the distinct reactivity of the system with external stimuli. Through induced helicity as a result of central‐to‐axial chirality transfer, the handedness and ee values of chiral monoalcohol and monoamine analytes were reported by circular dichroism. The strategies introduced herein should find application in many contexts, including assembly, sensing, and labeling.
A Keggin Polyoxometalate Shows Water Oxidation Activity at Neutral pH: POM@ZIF‐8, an Efficient and Robust Electrocatalyst
Authors: Mukhopadhyay Subhabrata , Debgupta Joyashish , Singh Chandani , Kar Aranya , Das Samar K.
Published: December 2017

Keggin‐type polyoxometalate anions [XM12O40]n− are versatile, as their applications in interdisciplinary areas show. The Keggin anion [CoW12O40]6− turns into an efficient and robust electrocatalyst upon its confinement in the well‐defined void space of ZIF‐8, a metal–organic framework (MOF). [H6CoW12O40]@ZIF‐8 is so stable to water oxidation that it retains its initial activity even after 1000 catalytic cycles. The catalyst has a turnover frequency (TOF) of 10.8 mol O2(mol Co)−1 s−1, one of the highest TOFs for electrocatalytic oxygen evolution at neutral pH. Controlled experiments rule out the chances of formation and participation of CoOx in this electrocatalyic water oxidation.
Comparing laser diffraction and optical microscopy for characterizing superabsorbent polymer particle morphology, size, and swelling capacity
Authors: Davis Cole R. , Kelly Stacey L. , Erk Kendra A.
Published: December 2017

In this study, we determined the accuracy and practicality of using optical microscopy (OM) and laser diffraction (LD) to characterize hydrogel particle morphology, size, and swelling capacity (Q). Inverse‐suspension‐polymerized polyacrylamide particles were used as a model system. OM and LD showed that the average particle diameter varied with the mixing speed during synthesis for the dry (10–120 μm) and hydrated (34–240 μm) particles. The LD volume and number mean diameters showed that a few large particles were responsible for the majority of the water absorption. Excess water present in the gravimetric swelling measurements led to larger Qs (8.2 ± 0.37 g/g), whereas the volumetric measurements with OM and LD resulted in reduced capacities (6.5 ± 3.8 and 5.7 ± 3.9 g/g, respectively). Results from the individual particle swelling measurements with OM (5.2 ± 0.66 g/g) statistically confirmed that the volumetric methods resulted in a reduced and more accurate measurement of the Q than the gravimetric method. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46055.
Improving bonding strength between a hydrophilic coating layer and poly(ethylene terephthalate) braid for preparing mechanically stable braid‐reinforced hollow fiber membranes
Authors: Zhou Zhuang , Fang Li‐Feng , Wang Sheng‐Yao , Matsuyama Hideto
Published: December 2017

A braid‐reinforced hollow fiber membrane with mechanically stable coating layer was prepared by coating a blended polymer dope solution on an alkaline‐treated poly(ethylene terephthalate) (PET) braid. The alkaline treatment was carried out to endow the PET braid surface with more polar groups and better hydrophilicity. The results showed that the bonding strength between the hydrophilic coating layer and modified PET braid was about two times as great as that between the coating layer and original PET braid, while the pure water permeability (PWP) of the membrane remained unchanged when the PET braid was simply treated in 3 wt % potassium hydroxide (KOH) solution at 90 °C for 1 h or 1 wt % KOH solution for 6 h. The proposed modification approach proved to be a facile, low‐cost, and effective method to improve bonding strength between the coating layer and the braid, while other properties, such as PWP and morphology of the coating layer, of the braid‐reinforced hollow fiber membranes were not altered, indicating promising potential in membrane engineering. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46104
Design, synthesis, and biological evaluation of 1‐ethyl‐3‐(thiazol‐2‐yl)urea derivatives as Escherichia coli DNA gyrase inhibitors
Authors: Tomašič Tihomir , Barančoková Michaela , Zidar Nace , Ilaš Janez , Tammela Päivi , Kikelj Danijel
Published: December 2017

Discovery of novel DNA gyrase B inhibitors remains an attractive field in the search for new antibacterial drugs to overcome the known bacterial resistance mechanisms. In the present study, we designed and synthesized novel ethylurea derivatives of 4,5,6,7‐tetrahydrobenzo[1,2‐d]thiazole‐2,6‐diamine, 2‐(2‐aminothiazol‐4‐yl)acetic acid, and benzo[1,2‐d]thiazole‐2,6‐diamine and evaluated their Escherichia coli DNA gyrase inhibition. The most potent DNA gyrase inhibitors in the prepared library of compounds were benzo[1,2‐d]thiazoles 32–34, 36, and 37 with IC50 values in the low micromolar range. The most promising inhibitors identified were evaluated against selected Gram‐positive and Gram‐negative bacterial strains. Compound 33 showed a MIC of 50 μM against an E. coli efflux pump‐defective strain, which suggests that efflux decreases the on‐target concentrations of these compounds.
Thermoactivation of a cellobiohydrolase
Authors: Westh Peter , Borch Kim , Sørensen Trine , Tokin Radina , Kari Jeppe , Badino Silke , Cavaleiro Mafalda A. , Røjel Nanna , Christensen Stefan , Vesterager Cynthia S. , Schiano‐di‐Cola Corinna
Published: December 2017

We have measured activity and substrate affinity of the thermostable cellobiohydrolase, Cel7A, from Rasamsonia emersonii over a broad range of temperatures. For the wild type enzyme, which does not have a Carbohydrate Binding Module (CBM), higher temperature only led to moderately increased activity against cellulose, and we ascribed this to a pronounced, temperature induced desorption of enzyme from the substrate surface. We also tested a “high affinity” variant of R. emersonii Cel7A with a linker and CBM from a related enzyme. At room temperature, the activity of the variant was similar to the wild type, but the variant was more accelerated by temperature and about two‐fold faster around 70 °C. This better thermoactivation of the high‐affinity variant could not be linked to differences in stability or the catalytic process, but coincided with less desorption as temperature increased. Based on these observations and earlier reports on moderate thermoactivation of cellulases, we suggest that better cellulolytic activity at industrially relevant temperatures may be attained by engineering improved substrate affinity into enzymes that already possess good thermostability.
Engineering and cytosolic delivery of a native regulatory protein and its variants for modulation of ERK2 signaling pathway
Authors: Ryou Jeong‐Hyun , Sohn Yoo‐Kyoung , Kim Dong‐Gun , Kyeong Hyun‐Ho , Kim Hak‐Sung
Published: December 2017

The modulation of a cell signaling process using a molecular binder followed by an analysis of the cellular response is crucial for understanding its role in the cellular function and developing pharmaceuticals. Herein, we present the modulation of the ERK2‐mediated signaling pathway through the cytosolic delivery of a native regulatory protein for ERK2, that is, PEA‐15 (phosphoprotein enriched in astrocytes, 15 kDa), and its engineered variants using a bacterial toxin‐based delivery system. Based on biochemical and structural analyses, PEA‐15 variants with different phosphorylation sites and a high affinity for ERK2 were designed. Semi‐rational approach led to about an 830‐fold increase in the binding affinity of PEA‐15, resulting in more effective modulation of the ERK2‐mediated signaling. Our approach enabled an understanding of the cellular function of the ERK2‐mediated signaling process and the effect of PEA‐15 phosphorylation on its action as an ERK2 blocker. We demonstrated the utility and potential of our approach by showing an efficient cytosolic delivery of these PEA‐15 variants and the effective suppression of cell proliferation through the inhibition of the ERK2 function. The present approach can be used broadly for modulating the cell signaling processes and understanding their roles in cellular function, as well as for the development of therapeutics.
Simplicity at the cost of predictive accuracy in diffuse large B‐cell lymphoma: a critical assessment of the R‐IPI,IPI, andNCCN‐IPI
Authors: Biccler Jorne , Eloranta Sandra , de Nully Brown Peter , Frederiksen Henrik , Jerkeman Mats , Smedby Karin E. , Bøgsted Martin , El‐Galaly Tarec C.
Published: December 2017

The international prognostic index (IPI) and similar models form the cornerstone of clinical assessment in newly diagnosed diffuse large B‐cell lymphoma (DLBCL). While being simple and convenient to use, their inadequate use of the available clinical data is a major weakness. In this study, we compared performance of the International Prognostic Index (IPI) and its variations (R‐IPIandNCCN‐IPI) to a Cox proportional hazards (CPH) model using the same covariates in nondichotomized form. All models were tested in 4863 newly diagnosedDLBCLpatients from population‐based Nordic registers. TheCPHmodel led to a substantial increase in predictive accuracy as compared to conventional prognostic scores when evaluated by the area under the curve and other relevant tests. Furthermore, the generation of patient‐specific survival curves rather than assigning patients to one of few predefined risk groups is a relevant step toward personalized management and treatment. A test‐version is available on lymphomapredictor.org.
Development and Validation of 2D Difference Intensity Analysis for Chemical Library Screening by Protein‐Detected NMR Spectroscopy
Authors: Egner John M. , Jensen Davin R. , Olp Michael D. , Kennedy Nolan W. , Volkman Brian F. , Peterson Francis C. , Smith Brian C. , Hill R. Blake
Published: December 2017

An academic chemical screening approach was developed by using 2D protein‐detected NMR, and a 352‐chemical fragment library was screened against three different protein targets. The approach was optimized against two protein targets with known ligands: CXCL12 and BRD4. Principal component analysis reliably identified compounds that induced nonspecific NMR crosspeak broadening but did not unambiguously identify ligands with specific affinity (hits). For improved hit detection, a novel scoring metric—difference intensity analysis (DIA)—was devised that sums all positive and negative intensities from 2D difference spectra. Applying DIA quickly discriminated potential ligands from compounds inducing nonspecific NMR crosspeak broadening and other nonspecific effects. Subsequent NMR titrations validated chemotypes important for binding to CXCL12 and BRD4. A novel target, mitochondrial fission protein Fis1, was screened, and six hits were identified by using DIA. Screening these diverse protein targets identified quinones and catechols that induced nonspecific NMR crosspeak broadening, hampering NMR analyses, but are currently not computationally identified as pan‐assay interference compounds. The results established a streamlined screening workflow that can easily be scaled and adapted as part of a larger screening pipeline to identify fragment hits and assess relative binding affinities in the range of 0.3–1.6 mm. DIA could prove useful in library screening and other applications in which NMR chemical shift perturbations are measured.
NMR Study of Rcf2 Reveals an Unusual Dimeric Topology in Detergent Micelles
Authors: Zhou Shu , Pettersson Pontus , Brzezinski Peter , Ädelroth Pia , Mäler Lena
Published: December 2017

The Saccharomyces cerevisiae mitochondrial respiratory supercomplex factor 2 (Rcf2) plays a role in assembly of supercomplexes composed of cytochrome bc1 (complex III) and cytochrome c oxidase (complex IV). We expressed the Rcf2 protein in Escherichia coli, refolded it, and reconstituted it into dodecylphosphocholine (DPC) micelles. The structural properties of Rcf2 were studied by solution NMR, and near complete backbone assignment of Rcf2 was achieved. The secondary structure of Rcf2 contains seven helices, of which five are putative transmembrane (TM) helices, including, unexpectedly, a region formed by a charged 20‐residue helix at the C terminus. Further studies demonstrated that Rcf2 forms a dimer, and the charged TM helix is involved in this dimer formation. Our results provide a basis for understanding the role of this assembly/regulatory factor in supercomplex formation and function.
Können Blinde sehen, was sie fühlen?
Authors: Neidlinger Andreas
Published: December 2017

Sie kennen sicher das Spiel für kleine Kinder, bei dem es darum geht, einen Würfel, eine Pyramide und eine Kugel durch passend geformte Löcher zu stecken. Ganz zu Beginn mag dies für die Kleinen schwierig sein, doch schon bald fällt es ihnen leicht und das Spiel wird langweilig. Nun ist dies ziemlich einfach für die meisten Menschen, jedoch, wie schwer ist diese Aufgabe für Blinde? Können Menschen, die ihr ganzes Leben lang blind waren und mit verschiedenen geometrischen Formen durch ihren Tastsinn vertraut sind, die Formen wiedererkennen, wenn sie die Fähigkeit zu Sehen erwerben?
A study on Fuzzy C‐means application in Austronesian language cultural and creative product colors
Authors: Wang Ming‐Feng
Published: December 2017

As culture has brought unlimited possibility and business opportunities, the countries propose the cultural and creative industry to strengthen the distinctive feature of their own, to distinguish the cultural differences of every country, and to avoid assimilation of powerful countries and neighbor countries, thereby revitalize the economy of that country. In countries affected by Austronesian culture, such as Taiwan and New Zealand, the rules by the Western colonial powers caused impact of different cultural uniqueness, which led to cultural differences. It is important to figure out the way to integrate exclusive cultures into diverse cultures in order to identify the cultural features of the country, promote the country's culture to others and realize the goal of the cultural and creative industry. Therefore, the purpose of the study is to provide the application of Fuzzy C‐means on cultural and creative products for designers. Finally, through the result of the design of case, cultural and creative products developed from Taiwan and New Zealand, fulfilled the purpose that the theory has been realized in practice, and the products successfully entered the markets.
Toward improved aesthetics and data discrimination for treemaps via color schemes
Authors: Xie Yingtao , Lin Tao , Chen Rui , Chen Zhi
Published: December 2017

In this article, we present a novel treemap coloring method which can help users to analyze visual data more easily. Our method overcomes two major limitations of existing treemaps in that they are either aesthetically unpleasing or unable to readily discriminate data blocks with close sizes. Our study indicates that the use of proper color schemes can surprisingly address these two seemingly uncorrelated limitations simultaneously. To improve the aesthetic value of a treemap, we apply the color aesthetic model to treemap generation. To better the degree of data discrimination of similar data, based on the principle of expansive and contractive colors, we propose a novel quantitative color‐visually perceived area (C‐VPA) model via experimental methods. Furthermore, we combine these two models to derive a genetic algorithm‐based treemap coloring method. Our experimental results confirm the superiority of our method in terms of improved data discrimination and aesthetics of the treemaps.
Digitally reconstructing Van Gogh's Field with Irises near Arles part 3: Determining the original colors
Authors: Kirchner Eric , van der Lans Ivo , Ligterink Frank , Geldof Muriel , Megens Luc , Meedendorp Teio , Pilz Kathrin , Hendriks Ella
Published: December 2017

In earlier articles, we determined the spatial distributions and concentrations of all pigments used by Van Gogh in his painting Field with Irises near Arles. The colors of some pigments are expected to have changed over time, especially those of chrome yellow, cochineal, and eosin lake. For all pigments in this painting, we made physical paint reconstructions by following historical sources on raw materials and production processes, and we determined their optical properties. We combined this with pigment concentration maps to reconstruct the original colors of the painting digitally. When substituting the reconstruction paints into the calculations, we found that technical‐scientific data was not sufficient to resolve several issues. In those cases, discussions within the broad interdisciplinary team allowed us to make informed decisions. These issues refer to the representation of the sky area, and the original contributions of the red lake pigments to local colors. The digitally reconstructed colors of the painting show that due to discoloring of red lake pigments, the irises in the field have changed from a warm purple to purplish blue, and many pink spots in the field have turned to white. The range of yellows in the field has decreased and partly turned to dark brown. The digital reconstruction gives a better understanding of the color scheme used by Van Gogh when compared to remarks the artist made in letters when describing this painting. Also, the original color composition is seen to be aligned with color theories on which Van Gogh based his work.
Predicting the availability of users' devices in decentralized online social networks
Authors: De Salve Andrea , Guidi Barbara , Mori Paolo
Published: December 2017

The understanding of the user temporal behavior is a crucial aspect for all those systems that rely on user resources for daily operations, such as decentralized online social networks (DOSNs). Indeed, DOSNs exploit the devices of their users to take on and share the tasks needed to provide services such as storing the published data. In the last years, the increasing popularity of DOSN services has changed the way of how people interact with each other by enabling users to connect to these services at any time by using their personal devices (such as notebooks or smartphones). As a result, the availability of data in these systems is strongly affected (or reflected) by the temporal behavior of their users in terms of connections to DOSNs. In this paper, we propose the use of linear predictors to address the problem of the availability of user devices and, hence, data in DOSNs. To validate the proposed approaches, we evaluated their performance conducting a set of simulations exploiting a dataset of temporal information concerning the connections to Facebook collected from a set of users.
Remote‐sensing‐derived fractures and shrub patterns to identify groundwater dependence
Authors: Guirado E. , Alcaraz‐Segura D. , Rigol‐Sánchez J.P. , Gisbert J. , Martínez‐Moreno F.J. , Galindo‐Zaldívar J. , González‐Castillo L. , Cabello J.
Published: December 2017

The identification and location of groundwater‐dependent ecosystems are the first steps in protecting and managing them. Such identifications are challenging where the surface expressions of groundwater are not obvious. This work presents a remote‐sensing‐based approach to infer the groundwater dependence of semiarid shrubs from their association with fractures that facilitate root access to groundwater. As a case study, we used the Ziziphus lotus matorral in south‐east Spain, a priority conservation habitat in the European Union (Habitat 5220*, Directive 92/43/EEC) that is highly threatened by agricultural and urban sprawl. The approach combines object‐based image analysis of high‐resolution orthoimages to map Ziziphus individuals, geomorphometric analysis of a lidar‐derived terrain model to map bedrock fractures, and spatial statistics to assess the association between Ziziphus and fractures. Electrical resistivity tomography was used to validate the identified fractures, and the seasonal dynamics of the normalized difference vegetation index was used to prove that Z. lotus maintained higher greenness during the summer drought and was less coupled with precipitation than the nearby nonphreatophytic vegetation. A majority (61%) of the Ziziphus patches, particularly the smallest ones, occurred within 50 m of faults. This spatial association between phreatophyte shrubs and fractures contributes to the identification of groundwater‐dependent ecosystems. This approach offers several advantages because it is simple, low cost, and non‐destructive. In addition, the differentiation of shrubs into size classes provided insights into the long‐term environmental controls underlying the establishment of Ziziphus individuals. The evidence of groundwater dependence by Z. lotus in Habitat 5220* indicates the need for its urgent protection under the Water Framework Directive.
Rationale and design of TRANSITION: a randomized trial of pre‐discharge vs. post‐discharge initiation of sacubitril/valsartan
Authors: Pascual‐Figal Domingo , Wachter Rolf , Senni Michele , Belohlavek Jan , Noè Adele , Carr David , Butylin Dmytro
Published: December 2017

Aims

The prognosis after hospitalization for acute decompensated heart failure (ADHF) remains poor, especially <30 days post‐discharge. Evidence‐based medications with prognostic impact administered at discharge improve survival and hospital readmission, but robust studies comparing pre‐discharge with post‐discharge initiation are rare. The PARADIGM‐HF trial established sacubitril/valsartan as a new evidence‐based therapy in patients with heart failure (HF) and reduced left ventricular ejection fraction (<40%) (rEF). In common with other landmark studies, it enrolled patients who were ambulatory at the time of inclusion. In addition, there is also still limited knowledge of initiation and up‐titration of sacubitril/valsartan in ACEi/ARB‐ naïve patients and in de novo HF with rEF patients.

Methods and results

TRANSITION is a multicentre, open‐label study in which ~1000 adults hospitalized for ADHF with rEF are randomized to start sacubitril/valsartan in a pre‐discharge arm (initiated ≥24 h after haemodynamic stabilization) or a post‐discharge arm (initiated within Days 1–14 after discharge). The protocol allows investigators to select the appropriate starting dose and dose adjustments according to clinical circumstances. Over a 10 week treatment period, the primary and secondary objectives assess the feasibility and safety of starting sacubitril/valsartan in‐hospital, early after haemodynamic stabilization. Exploratory objectives also include assessment of HF signs and symptoms, readmissions, N‐terminal pro‐B‐type natriuretic peptide and high‐sensitivity troponin T levels, and health resource utilization parameters.

Conclusions

TRANSITION will provide new evidence about initiating sacubitril/valsartan following hospitalization for ADHF, occurring either as de novo ADHF or as deterioration of chronic HF, and in patients with or without prior ACEI/ARB therapy. The results of TRANSITION will thus be highly relevant to the management of patients hospitalized for ADHF with rEF.
Synthesis, Coordination Chemistry and Anion Binding by a Cyanophenyl‐Substituted 2‐Pyridinylurea
Authors: Moyaert Tristen , Schroeder Zachary W. , Dawe Louise N.
Published: December 2017

The design and synthesis of urea‐based systems suitable for selective anion recognition has demonstrated potential for environmental remediation. These systems act as a double hydrogen‐bond donor to anion acceptors, however, the availability of the carbonyl group to also act as a hydrogen‐bond acceptor has posed as an optimization challenge. One approach to address this obstacle is to design preorganized coordination complexes that decrease the accessibility of the carbonyl group, yet are still capable of anionic hydrogen bonding by secondary coordination. Herein, a new 2‐pyridinylurea ligand, N‐(3‐cyanophenyl)‐N′‐pyridin‐2‐ylurea (L1), and its transition metal complexes, [(L1)2Ni(CH3OH)2](NO3)2, [(L1)2Co(CH3OH)2](NO3)2, [(L1)2Ni(H2O)2](NO3)2 and [(L1)2Cu(ClO4)2]n are reported. Subtle changes in metal‐to‐ligand ratio and solvent conditions yielded dramatically different anion‐binding motifs for two Ni2+ complexes, while bis‐metal coordination of a perchlorate anion in the Cu2+ complex resulted in hydrogen bonding with the weakest available ligand acceptor.
The Potential of Waxes to Alter the Microstructural Properties of Emulsion‐Templated Oleogels
Authors: Tavernier Iris , Doan Chi D. , Van der Meeren Paul , Heyman Bart , Dewettinck Koen
Published: December 2017

In this research two oleogelation methods, in casu wax‐based oleogelation and emulsion‐templated oleogelation, were combined. Emulsion‐templated oleogels are known to have a high elastic modulus. However, they also exhibit limited structure recovery after applying shear. Oil partially leaking out of the oleogels greatly limits their application potential in food products. Wax‐based oleogelation on the other hand, requires high wax concentrations to attain the required level of structuring, causing a waxy mouthfeel upon consumption. Still, contrary to emulsion‐templated oleogels, wax‐based oleogels do demonstrate high levels of structure recovery after shear. The goal of this research is to enhance the structure recovery of the emulsion‐templated oleogels by gelling the oil within the structured protein network with low concentrations of candelilla wax, preventing a waxy mouthfeel. The microstructure of the emulsions and corresponding oleogels is elucidated with polarized light microscopy and cryo‐SEM. The newly developed oleogels are characterized rheologically using oscillatory and shear recovery measurements and by performing temperature sweeps. The addition of waxes in the emulsion‐templated oleogels did not significantly influence the gel strength, but did strongly reduce the shear sensitivity of the oleogels, as was determined with shear recovery measurements and confirmed with oil binding tests.

Practical Application: To assess the true potential of these newly developed oleogels, a shortcrust pastry is developed using the emulsion‐templated oleogels as an alternative for a vegetable oil‐based margarine. Creep‐recovery tests on the doughs revealed that the emulsion‐templated oleogels had a better structuring capacity compared to the doughs prepared with wax‐based oleogels. However, neither of the two oleogel types were capable of attaining a similar level of dough structuring compared to the vegetable oil‐based reference margarine. In conclusion, combining several oleogelation methods can increases their application potential by exploiting some of the advantages while attenuating some of the disadvantages of both alternative oil structuring techniques.

This research article investigates the combination of emulsion‐templated liquid oil structuring with proteins (top, left) with wax‐based oleogels (top, right). The waxes are allowed to crystallize within the oil cells of the emulsion‐templated oleogel. These oleogels were subsequently used to prepare shortcrust pastries.
Fast and Simultaneous Determination of Antioxidant Activity, Total Phenols and Bitterness of Red Wines by a Multichannel Amperometric Electronic Tongue
Authors: Merkyte Vakare , Morozova Ksenia , Boselli Emanuele , Scampicchio Matteo
Published: December 2017

An electronic tongue based on a flow injection system equipped with a multichannel amperometric detector was used to determine the antioxidant activity, total phenols and bitter taste of red wines. The detector composed of four glassy carbon electrodes, arranged in a square configuration, where two parallel electrodes (poised at E1=+400 and E2=+800 mV) were followed by other two electrodes (poised at E3=+800 and E4=−400 mV). This configuration allowed to gain information on the content of the antioxidants activity (E1) and total phenols (E2 and E3). E1/E2 was used to express the proportion of strong vs. weak antioxidants. E3/E4 was used to express an index of reversibility. Finally, the ratio E2/E3 was used to control the system. Overall, the four electrodes led to seven variables, which provided a characteristic pattern profile. The eleven variables in total were analyzed by principal component analysis (PCA) to determine, the antioxidant activity, total phenol content and bitterness value of red wine samples. The results of antioxidant activity were correlated with the Folin Ciocalteu index (R2=0.94). Bitterness was correlated with the descriptors of the e‐tongue (R2=0.81). Overall, the analysis with the proposed electronic tongue is simple (only a dilution is required), fast (the analysis takes less than 20 seconds per sample), objective (precision within 5 %, expressed as RSD%) and cheap compared to classical sensory analysis.
Simulation of mineral dust aerosols in southwestern iran through numerical prediction models
Authors: Broomandi Parya , Dabir Bahram , Bonakdarpour Babak , Rashidi Yousf , Akherati Ali
Published: December 2017

Using the Numerical Prediction Models in mineral dust cycle is of prime importance in investigation of aerosol contribution in climatic changes. In this paper, a modelling system is developed to study a local characterization of Shalamceh dust intrusions in PM10 levels in Ahvaz city. The model chain consists of three different modules: the meteorological model (WRF), the dust emission model (COMSALT) and transport/deposition model (CAMx). Applying a physically based parameterization of the vertical dust fluxes emitted from the eroding soil could reduce the need for empirical source functions in dust emission models. For the selected case study, 6/1/2010 and 6/10/2010, the numerical simulations were performed to evaluate the effectiveness of modeling system. The comparison between observation and modeled results shows a good agreement. Different scenarios used to investigate the role of desertification and weak structure soils in air quality. Results show an increase in PM10 levels in Ahvaz due to the growth of wind erodible lands and the reduction of soil cohesive forces. In addition, the dry deposition fluxes of some detected heavy metals in different situations were estimated. Also, dust emission potential was inspected with the absorbing aerosol index data from Ozone Measurement Instrument (OMI) in the studied area. © 2017 American Institute of Chemical Engineers Environ Prog, 37: 1380–1393, 2018
Synthesis of microsize Fe/Cu bimetallic particles using in situ acid‐mediated coating: Application on decolorization of azo dye acid orange 7
Authors: Jung Kyung‐Won , Choi Brian Hyun , Lee Young Jae , Jeong Tae‐Un , Ahn Kyu‐Hong , Lee Sang‐Hyup
Published: December 2017

Iron‐based bimetallic particle has become an attractive material in environmental remediation, particularly for wastewater treatment. However, it is yet to be applied in large scale processes, mainly due to the requirement of multistep syntheses for the desired materials, as well as the rigorous control of the conditions for its synthesis. This study introduces a facile methodology to synthesize micro‐size iron/copper bimetallic particles (mFe/Cu‐BPs) by in situ coating of Cu on the surface of Fe in an acidic media for the removal of azo dye Acid Orange 7 (AO7) in aqueous media. Morphological analyses showed that Cu planted on the surface of the particles exhibit a dense leaf‐like structure with great connectivity and electron movement between Fe0 core and Cu shell. In addition, the effects on the decolorization of AO7 via key parameters such as theoretical Cu mass loading (TMLCu), initial pH, dosage, and initial AO7 concentration were assessed. Experimental results revealed that the decolorization efficiency of AO7 was highly dependent on the operational conditions. Under optimal conditions (TMLCu of 0.6 g Cu/g Fe, initial pH of 3.0, mFe/Cu‐BP dosage of 45 g/L, and initial AO7 concentration of 1000 mg/L), decolorization of AO7 as a function of reaction time was investigated via UV‐vis spectrometry, which confirmed that the azo bond of AO7 successfully cleaved by mFe/Cu‐BPs. The maximum decolorization, COD, and TOC removal efficiencies were found to be 99.55, 83.91, and 73.81% after 30 min of reaction time, respectively. Lastly, the potential mechanism for the decolorization of AO7 is proposed. © 2017 American Institute of Chemical Engineers Environ Prog, 37: 1901–1907, 2018