bluuebunny/crossref_metadata_2025 huggingface dataset:
Noun Incorporation
Authors: Johns Alana
Published: February 2017

This chapter provides an overview of noun incorporation in broad terms, examining nominals found either within or strictly adjacent to predicates from numerous languages. Syntactic issues have shifted from an earlier debate about whether noun incorporation was an operation in the lexicon or syntax to more recent discussion about whether noun incorporation is a narrow syntax or PF operation. Other issues concern whether phrases or just heads can incorporate. If phrases incorporate, are they phrasal at the point of incorporation? AGREE analyses examine the trigger for incorporation. A number of analyses posit that there is no movement of the nominal at all (pseudo noun incorporation), and utilize an adjacency relation between the verb and incorporated nominal. It remains clear that languages show similar cross‐linguistic properties in noun incorporation, even to the extent that language‐internal differences are often similar, often relating to verb class. The expansion of the set of empirical data from semantic analyses and other work continues to lead toward refinements.
Regio‐ and Stereospecific O‐Glycosylation of Phenolic Compounds Catalyzed by a Fungal Glycosyltransferase from Mucor hiemalis
Authors: Feng Jin , Zhang Peng , Cui Yinglu , Li Kai , Qiao Xue , Zhang Ying‐Tao , Li Shu‐Ming , Cox Russell J. , Wu Bian , Ye Min , Yin Wen‐Bing
Published: February 2017

Glycosylated small molecules are often bioactive and obtained mainly via microbial biotransformation especially by fungi. However, no responsible glycosylation gene/enzyme has yet been uncovered in a filamentous fungus. We report here the first identification of a phenolic glycosyltransferase MhGT1 from Mucor hiemalis. The substrate promiscuity of the new phenolic O‐glycosyltransferase was explored by using phenols from Traditional Chinese Medicinal herbs as substrates. MhGT1 exhibited robust capabilities for the regio‐ and stereospecific O‐glycosylation of 72 structurally diverse drug‐like scaffolds and sterols with uridine diphosphate (UDP) glucose as a sugar donor. Unprecedentedly, MhGT1 showed higher regiospecificities and activities for prenylated phenols than for their non‐prenylated analogues. Computational modelling of MhGT1 uncovered a truncated N‐terminal domain of the enzyme consisting of hydrophobic and charged amino acid residues which contributed to the broad substrate scope and regiospecificity towards prenylated compounds. Our findings expand the ways to obtain new glycosyltransferases and also effectively apply the enzymatic approach to obtain glycosylated compounds in drug discovery.

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Ferrocenylindium Reagents in Palladium‐Catalyzed Cross‐Coupling Reactions: Asymmetric Synthesis of Planar Chiral 2‐Aryl Oxazolyl and Sulfinyl Ferrocenes
Authors: Mato Mauro , Pérez‐Caaveiro Cristina , Sarandeses Luis A. , Pérez Sestelo José
Published: February 2017

The preparation of ferrocenylindium species and palladium‐catalyzed cross‐coupling reactions for the synthesis of monosubstituted and planar chiral 1,2‐disubstituted ferrocenes is described. Triferrocenylindium reagents (Fc3In) are efficiently prepared in a one‐pot procedure from ferrocenes by lithiation and transmetallation to indium using InCl3. The palladium‐catalyzed cross‐coupling reactions of Fc3In (40 mol%) with a variety of organic electrophiles (aryl, heteroaryl, benzyl, alkenyl and acyl halides) in THF at 80 °C overnight provided a wide variety of monosubstituted ferrocenes in good to excellent yields. This methodology allowed the stereoselective synthesis of planar chiral 2‐aryl‐1‐oxazolylferrocenes and 2‐aryl‐1‐sulfinylferrocenes, which are of interest in asymmetric catalysis.

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Advanced Micro/Nanostructures for Lithium Metal Anodes
Authors: Zhang Rui , Li Nian‐Wu , Cheng Xin‐Bing , Yin Ya‐Xia , Zhang Qiang , Guo Yu‐Guo
Published: February 2017

Owning to their very high theoretical capacity, lithium metal anodes are expected to fuel the extensive practical applications in portable electronics and electric vehicles. However, unstable solid electrolyte interphase and lithium dendrite growth during lithium plating/stripping induce poor safety, low Coulombic efficiency, and short span life of lithium metal batteries. Lately, varies of micro/nanostructured lithium metal anodes are proposed to address these issues in lithium metal batteries. With the unique surface, pore, and connecting structures of different nanomaterials, lithium plating/stripping processes have been regulated. Thus the electrochemical properties and lithium morphologies have been significantly improved. These micro/nanostructured lithium metal anodes shed new light on the future applications for lithium metal batteries.
Controlled surface topography of nanostructured particles prepared by spray‐drying process
Authors: Balgis Ratna , Ernawati Lusi , Ogi Takashi , Okuyama Kikuo , Gradon Leon
Published: February 2017

Nanostructured particles (clusters) with complex and periodic topography at the microscopic scale show unique structural patterns. Hence, good properties should be obtained when the surface topography of such clusters, especially those containing nanoparticles (NPs) of different sizes, can be carefully tuned. The coffee‐ring structure is one of the most interesting structures for catalyst and photonic crystal applications or porous particle molds. Here, well‐defined clusters with a coffee‐ring structure were prepared by spray drying. The complexity of the NP distribution in the resulting two‐ and three‐component systems is discussed. A better understanding of how finite groups of different NPs self‐organize in a moving droplet to form a confined geometry may aid in controlling the structure of matter at multiple length scales. Interestingly, the configuration of the large microsphere clusters was found to be influenced by the presence of the small particles, which formed a ring‐like structure. © 2016 American Institute of Chemical Engineers AIChE J, 63: 1503–1511, 2017
In situ characterization of mixing and sedimentation dynamics in an impinging jet ballast tank via acoustic backscatter
Authors: Bux Jaiyana , Paul Neepa , Hunter Timothy N. , Peakall Jeffrey , Dodds Jonathan M. , Biggs Simon
Published: February 2017

Impinging jets are utilized in numerous applications, including nuclear waste treatment, for both the erosion of sediment beds and maintaining particulates in suspension. Pulse‐echo ultrasonic methods offer great potential for the in situ monitoring of critical mixing and settling dynamics, in concentrated dispersions. A non‐active scaled version of a Highly Active Storage Tank at Sellafield, UK, was profiled with an acoustic backscatter system under various jet firing conditions. An advanced analysis technique enabled the direct quantification of dispersion concentration changes from the converted backscatter attenuation. Hence, the erosion and mixing capability of the jets, and settling kinetics were characterized. It was found that jet operation alone provided inadequate localized mixing of eroded sediment. An additional air‐lift process operation was required to hinder the rapid re‐settling of dispersed particulates. © 2017 American Institute of Chemical Engineers AIChE J, 63: 2618–2629, 2017
A spatially‐averaged two‐fluid model for dense large‐scale gas‐solid flows
Authors: Schneiderbauer Simon
Published: February 2017

We present a spatially‐averaged two‐fluid model (SA‐TFM), which is derived from ensemble averaging the kinetic‐theory based TFM equations. The residual correlation for the gas‐solid drag, which appears due to averaging, is derived by employing a series expansion to the microscopic drag coefficient, while the Reynolds‐stress‐like contributions are closed similar to the Boussinesq‐approximation. The subsequent averaging of the linearized drag force reveals that averaged interphase momentum exchange is a function of the turbulent kinetic energies of both, the gas and solid phase, and the variance of the solids volume fraction. Closure models for these quantities are derived from first principles. The results show that these new constitutive relations show fairly good agreement with the fine grid data obtained for a wide range of particle properties. Finally, the SA‐TFM model is applied to the coarse grid simulation of a bubbling fluidized bed revealing excellent agreement with the reference fine grid solution. © 2017 American Institute of Chemical Engineers AIChE J, 63: 3544–3562, 2017
Heteroring‐Annulated Pyrrolino‐Tetrahydroberberine Analogues
Authors: Mari Giacomo , Crescentini Lucia De , Favi Gianfranco , Lombardi Paolo , Fiorillo Gaetano , Giorgi Gianluca , Mantellini Fabio
Published: February 2017

A facile method for the synthesis of pyrrolino‐tetrahydroberberine derivatives starting from 1,2‐diaza‐1,3‐dienes and dihydroberberines is reported. The synthesis is a cascade reaction involving a Michael‐type addition of the enamine moiety of dihydroberberine to an azo‐ene system, followed by nitrogen cyclization on the resulting iminium ion.
Template‐Assisted meta‐C−H Alkylation and Alkenylation of Arenes
Authors: Bag Sukdev , Jayarajan Ramasamy , Mondal Rahul , Maiti Debabrata
Published: February 2017

To expand the scope of meta‐functionalization, a pyrimidine‐based template effective for the formation of β‐aryl aldehydes and ketones, using allyl alcohols, by meta‐C−H activation of benzylsulfonyl esters is described. In addition, α,β‐unsaturated aldehydes were generated by in situ olefination and deprotection of allyl benzyl ethers. These new functionalizations at the meta‐position of an arene have also been successfully implemented in benzylphosphonate, phenethyl carbonyl, and phenethylsulfonyl ester scaffolds. Key to these successful new functionalizations is the creation of an electropositive palladium center by accepting the electron cloud from the metal to the energetically low‐lying π‐orbitals of pyrimidine ring, and it favors coordination of allyl alcohol to the metal center.
Determining the Origin of Rate‐Independent Chemoselectivity in CuAAC Reactions: An Alkyne‐Specific Shift in Rate‐Determining Step
Authors: Seath Ciaran P. , Burley Glenn A. , Watson Allan J. B.
Published: February 2017

We report a kinetic and spectroscopic analysis of alkyne‐dependent chemoselectivity in the copper‐catalyzed azide–alkyne click (CuAAC) reaction. Studies of six alkyne subtypes reveal that the rate‐determining step (RDS) of an aromatic ynamine class is shifted from acetylide formation to the azide ligation/migratory insertion event allowing chemoselectivity independent of overall rate.
Polyurethane adhesives containing Diels–Alder‐based thermoreversible bonds
Authors: Turkenburg Daniël Hendrik , van Bracht Henk , Funke Björn , Schmider Martin , Janke Doreen , Fischer Hartmut Rudolf
Published: February 2017

A facile two‐step process is developed to obtain polyester urethanes that contain various concentrations of thermoreversible Diels–Alder adduct–based bonds for the development of adhesives. Besides linear systems thermoreversible networks have been included in the study. The reactions are verified using IR‐spectroscopy and gel permeation chromatography analysis. The material properties are characterized with solvent exposure tests, dynamic scanning calorimetry, microindentation and rheology and the potential for application as adhesives is tested with an elcometer. Material properties have been found highly tunable for the system, and high adhesive strengths (off‐scale) are found for polyester urethanes that are doped with an intermediate level Diels–Alder functional groups. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44972.
Localization patterns of dopamine active transporter synthesizing cells during development of brine shrimp
Authors: Kim Bo Yong , Shin Gyeong Hee , Lee In Soo , Kim Suhng Wook , Kim Ho Seung , Kim Jin Kwan , Lee Seung Gwan
Published: February 2017

There have been many studies on dopamine active transporter (DAT) in humans and laboratory animals; however, there is a lack of information on DAT in brine shrimp. In this study, we demonstrated the neuronal and nonneuronal characteristics of DAT‐synthesizing (DAT+ cells) during development of brine shrimp. In neuronal cells, the DAT+ neurons in the central body and lobes of a protocerebrum (PC) controlled the deutocerebrum. The sensory cells of nauplius eyes projected their decussated axons to the PC, and the DAT+ cells at the posterior region were associated with migration and control of the 10 posterior neurons during the early nauplius stage. In nonneuronal cells, the five types of glands, that is, the salt, antennal, mandible, and accessory glands and posterior gland1 and gland2 synthesized DAT protein. In addition, the gut and rectum dilator muscles and renal cells expressed DAT protein. Thus, DAT protein acts in the development of several types of cells during development of brine shrimp.
Tetrabutylammonium Salts of Aluminum(III) and Gallium(III) Phthalocyanine Radical Anions Bonded with Fluoren‐9‐olato− Anions and Indium(III) Phthalocyanine Bromide Radical Anions
Authors: Konarev Dmitri V. , Khasanov Salavat S. , Ishikawa Manabu , Nakano Yoshiaki , Otsuka Akihiro , Yamochi Hideki , Saito Gunzi , Lyubovskaya Rimma N.
Published: February 2017

Reduction of aluminum(III), gallium(III), and indium(III) phthalocyanine chlorides by sodium fluorenone ketyl in the presence of tetrabutylammonium cations yielded crystalline salts of the type (Bu4N+)2[MIII(HFl−O−)(Pc.3−)].−(Br−)⋅1.5 C6H4Cl2 [M=Al (1), Ga (2); HFl−O−=fluoren‐9‐olato− anion; Pc=phthalocyanine] and (Bu4N+) [InIIIBr(Pc.3−)].−⋅0.875 C6H4Cl2⋅0.125 C6H14 (3). The salts were found to contain Pc.3− radical anions with negatively charged phthalocyanine macrocycles, as evidenced by the presence of intense bands of Pc.3− in the near‐IR region and a noticeable blueshift in both the Q and Soret bands of phthalocyanine. The metal(III) atoms coordinate HFl−O− anions in 1 and 2 with short Al−O and Ga−O bond lengths of 1.749(2) and 1.836(6) Å, respectively. The C−O bonds [1.402(3) and 1.391(11) Å in 1 and 2, respectively] in the HFl−O− anions are longer than the same bond in the fluorenone ketyl (1.27–1.31 Å). Salts 1–3 show effective magnetic moments of 1.72, 1.66, and 1.79 μB at 300 K, respectively, owing to the presence of unpaired S=1/2 spins on Pc.3−. These spins are coupled antiferromagnetically with Weiss temperatures of −22, −14, and −30 K for 1–3, respectively. Coupling can occur in the corrugated two‐dimensional phthalocyanine layers of 1 and 2 with an exchange interaction of J/kB=−0.9 and −1.1 K, respectively, and in the π‐stacking {[InIIIBr(Pc.3−)].−}2 dimers of 3 with an exchange interaction of J/kB=−10.8 K. The salts show intense electron paramagnetic resonance (EPR) signals attributed to Pc.3−. It was found that increasing the size of the central metal atom strongly broadened these EPR signals.
Pharmacokinetic interactions in mice between irinotecan and MBL‐II‐141, an ABCG2 inhibitor
Authors: Hénin Emilie , Honorat Mylène , Guitton Jérôme , Di Pietro Attilio , Payen Léa , Tod Michel
Published: February 2017

Purpose. The chromone derivative MBL‐II‐141, specifically designed to inhibit ABCG2, was previously demonstrated to combine strong inhibition potency, low toxicity and good efficiency in reversing resistance to irinotecan in a xenografted mouse model. Here, the pharmacokinetic interactions in mice between irinotecan, its active metabolite SN‐38 and MBL‐II‐141 were characterized quantitatively in the blood and in the brain. Methods. Compartmental models were used to fit the data. Goodness‐of‐fit was assessed by simulation‐based diagnostic tools. Results. Irinotecan increased the MBL‐II‐141 apparent clearance and Vss 1.5‐fold, probably by increasing the MBL‐II‐141 unbound fraction. MBL‐II‐141 decreased the total apparent clearance of irinotecan by 23%, by decreasing its biliary clearance. MBL‐II‐141 increased 3‐fold the brain accumulation of irinotecan, as a result of the rise of systemic exposure combined with the inhibition of ABCG2‐mediated efflux at the blood–brain barrier. Finally, SN‐38 exposure was increased by 1.16‐fold under treatment with MBL‐II‐141, owing to the higher irinotecan exposure with increased metabolism towards the formation of SN‐38. Conclusions. These results may help to anticipate the pharmacokinetic interactions between MBL‐II‐141 and other ABCG2 substrates. The irinotecan‐MBL‐II‐141 interaction is also expected to occur in humans. Copyright © 2017 John Wiley & Sons, Ltd.
Optimization of intestinal microsomal preparation in the rat: A systematic approach to assess the influence of various methodologies on metabolic activity and scaling factors
Authors: Hatley Oliver J.D. , Jones Christopher R. , Galetin Aleksandra , Rostami‐Hodjegan Amin
Published: February 2017

The metabolic capacity of the intestine and its importance as the initial barrier to systemic exposure can lead to underestimation of first‐pass, and thus overestimation of oral bioavailability. However, the in vitro tools informing estimates of in vivo intestinal metabolism are limited by the complexity of the in vitro matrix preparation and uncertainty with the scaling factors for in vitro to in vivo extrapolation. A number of methods currently exist in the literature for the preparation of intestinal microsomes; however, the impact of key steps in the preparation procedure has not been critically assessed. In the current study, changes in enterocyte isolation, the impact of buffer constituents heparin and glycerol, as well as sonication as a direct method of homogenization were assessed systematically. Furthermore, fresh vs. frozen tissue samples and the impact of microsome freeze thawing was assessed. The rat intestinal microsomes were characterized for CYP content as well as metabolic activity using testosterone and 4‐nitropheonol as probes for CYP and UGT activity, respectively. Comparisons in metabolic activity and scaled unbound intestinal intrinsic clearance (CLintu,gut) were made to commercially available microsomes using 25 drugs with a diverse range of metabolic pathways and intestinal metabolic stabilities. An optimal, robust and reproducible microsomal preparation method for investigation of intestinal metabolism is proposed. The importance of characterization of the in vitro matrix and the potential impact of intestinal scaling factors on the in vitro–in vivo extrapolation of FG needs to be investigated further. © 2017 The Authors Biopharmaceutics & Drug Disposition Published by John Wiley & Sons Ltd.
Stability studies of potent opioid analgesic, morphine‐6‐O‐sulfate in various buffers and biological matrices by HPLC‐DAD analysis
Authors: Yadlapalli Jai Shankar K. , Albayati Zaineb A.F. , Penthala Narasimha R. , Hendrickson Howard P. , Crooks Peter A.
Published: February 2017

The 6‐O‐sulfate ester of morphine (M6S) has previously been shown to be an analgesic with greater potency and fewer side effects than morphine. However, being a sulfate ester derivative of morphine, the question exists as to whether this compound is stable in biological fluids and tissues with regard to pH‐ and esterase‐mediated degradation. To date, no studies have focused on the stability profile of M6S across the physiologically relevant pH range of 1.2–7.4. In addition, the stability of M6S is not known in rat plasma and rat brain homogenate, or in simulated rat gastric and intestinal fluids. This study determines the stability profile of M6S (utilized as the sodium salt) and demonstrates that M6S is highly stable and resilient to either enzymatic‐ or pH‐dependent hydrolysis in vitro.
Development and qualification of an LC–MS/MS method for investigating the biological implications of micelle entrapped paclitaxel in cell culture and rats
Authors: Kaddoumi Amal , Gill Kanwaldeep K. , Elfakhri Khaled , Nazzal Sami
Published: February 2017

Paclitaxel is a front‐line antineoplastic drug used in chemotherapeutic modalities for treatment of various types of malignancies. However, its efficacy is limited by dose‐related toxicities. In this study, we have explored two important biological aspects of entrapping paclitaxel in PEG2000‐DSPE micelles. First, we evaluated the impact of this micellar delivery system on P‐glycoprotein (P‐gp)–paclitaxel interaction, and we investigated differences in plasma pharmacokinetics of free and micelle‐entrapped paclitaxel. For quantification of paclitaxel, an LC–MS/MS method was developed. Paclitaxel was extracted from samples using a simple one‐step protein precipitation. Chromatographic conditions included a C18 column with a mobile phase consisting of 0.1% formic acid in acetonitrile–water (60:40, v/v) pumped at 1 mL/min. The lower limit of quantitation in both plasma and cell lysate was 1.0 ng/mL. The quantitative linear range was 1–1000 ng/mL. In addition, P‐gp efflux studies on free and micellar paclitaxel showed the proficiency of PEG2000‐DSPE micelles in evading P‐gp‐mediated efflux, thus increasing paclitaxel uptake. Furthermore, the micellar paclitaxel levels were maintained in the body for longer time as compared with taxol, which is desirable for increasing the efficacy of paclitaxel in cancer treatment.
Simultaneous determination of the bioactive components in rat plasma by UPLC‐MS/MS and application in pharmacokinetic studies after oral administration of radix Scutellariae extract
Authors: Tao Jin‐Hua , Xu Jun , Jiang Shu , Ling Yong , Wang Dong‐Geng
Published: February 2017

A highly sensitive and rapid ultraperformance liquid chromatography–tandem mass spectrometry (UPLC‐MS/MS) method has been developed and validated for simultaneous quantification of the four main bioactive compounds, i.e. baicalin, baicalein, wogonoside and wogonin, in rat plasma after oral administration of Radix Scutellariae extract. Clarithromycin was used as an internal standard (IS). Plasma samples were processed by protein precipitation with methanol. The separation was performed on an Acquity BEH C18 column (100 × 2.1 mm, 1.7 μm) at a flow rate of 0.4 mL/min, using 0.1% formic acid–acetonitrile as mobile phase. The MS/MS ion transit ions monitored were 447.5 → 270.1 for baicalin, 270.1 → 168.1 for baicalein, 461.2 → 284.0 for wogonoside, 284.2 → 168.1 for wogonin and 748.5 → 158.1 for IS. Method validation was performed according to US Food and Drug Administration guidelines and the results met the acceptance criteria. The lower limit of quantification (LLOQ) achieved was 1.13 ng/mL for baicalin, 1.23 ng/mL for baicalein, 0.82 ng/mL for wogonoside and 0.36 ng/mL for wogonin. The calibration curves obtained were linear (r > 0.99) over the concentration range ~ 1–1000 ng/mL. The intra‐ and inter‐day precision was <15% and the accuracy was within ±14.7%. After validation, this method was successfully applied to a pharmacokinetic study of Radix Scutellariae extract.
A method for independent component graph analysis of resting‐state fMRI
Authors: Ribeiro de Paula Demetrius , Ziegler Erik , Abeyasinghe Pubuditha M. , Das Tushar K. , Cavaliere Carlo , Aiello Marco , Heine Lizette , di Perri Carol , Demertzi Athena , Noirhomme Quentin , Charland‐Verville Vanessa , Vanhaudenhuyse Audrey , Stender Johan , Gomez Francisco , Tshibanda Jean‐Flory L. , Laureys Steven , Owen Adrian M. , Soddu Andrea
Published: February 2017

Introduction

Independent component analysis (ICA) has been extensively used for reducing task‐free BOLD fMRI recordings into spatial maps and their associated time‐courses. The spatially identified independent components can be considered as intrinsic connectivity networks (ICNs) of non‐contiguous regions. To date, the spatial patterns of the networks have been analyzed with techniques developed for volumetric data.

Objective

Here, we detail a graph building technique that allows these ICNs to be analyzed with graph theory.

Methods

First, ICA was performed at the single‐subject level in 15 healthy volunteers using a 3T MRI scanner. The identification of nine networks was performed by a multiple‐template matching procedure and a subsequent component classification based on the network “neuronal” properties. Second, for each of the identified networks, the nodes were defined as 1,015 anatomically parcellated regions. Third, between‐node functional connectivity was established by building edge weights for each networks. Group‐level graph analysis was finally performed for each network and compared to the classical network.

Results

Network graph comparison between the classically constructed network and the nine networks showed significant differences in the auditory and visual medial networks with regard to the average degree and the number of edges, while the visual lateral network showed a significant difference in the small‐worldness.

Conclusions

This novel approach permits us to take advantage of the well‐recognized power of ICA in BOLD signal decomposition and, at the same time, to make use of well‐established graph measures to evaluate connectivity differences. Moreover, by providing a graph for each separate network, it can offer the possibility to extract graph measures in a specific way for each network. This increased specificity could be relevant for studying pathological brain activity or altered states of consciousness as induced by anesthesia or sleep, where specific networks are known to be altered in different strength.
Motor unit potentials of the erector spinae muscle by concentric needle electromyography
Authors: Posa Andreas , Niśkiewicz Izabela , Emmer Alexander , Kluge Yorck , Kornhuber Malte E.
Published: February 2017

Introduction

The needle electromyography (EMG) serves to supply additional information in patients with suspected neuromuscular disorders. We aimed to provide motor unit potential (MUP) data by concentric needle EMG in the erector spinae (ES) in comparison with biceps brachii (BB) and lateral vastus (LV).

Methods

Electromyography MUP data (n) were obtained in ES (517), BB (539), and LV (627) in 32 healthy volunteers (16f).

Results

Motor unit potential data: amplitude (μV) 393 ± 174 (ES), 375 ± 162 (BB), and 577 ± 304 (LV); duration (ms) 10.4 ± 2.4 (ES), 10.1 ± 2.1 (BB), and 11.1 ± 2.3 (LV), area (μV × ms) 585 ± 327 (ES), 538 ± 267 (BB), and 881 ± 492 (LV); phase number 3.23 ± 0.94 (ES), 2.98 ± 0.76 (BB), and 3.19 ± 0.81 (LV); size index 0.60 ± 0.56 (ES), 0.51 ± 0.53 (BB), and 0.96 ± 0.55 (LV). LV displayed higher values (p at least <.001) for MUP amplitude, duration, area, and size index as compared to both, BB and ES.

Conclusion

Concentric needle EMG investigations in healthy adult human subjects revealed similar MUP parameters in the ES and BB muscles, while in the LV muscle MUP amplitude, duration, area, and size index were significantly larger. Different neuromuscular disorders display a predominant involvement of proximally located muscles such as truncal muscles. The present results given here may facilitate the diagnosis of neuromuscular disorders.
The Lababidi Procedure
Authors: Hagler Donald J.
Published: February 2017

Key Points

Long‐term risk of mortality, aortic insufficiency, and aortic valve replacement (AVR) reintervention are the objectives of the report.

They discuss how this may impact our congenital interventional practice questioning which risk factors may be modifiable.

Should the interventionalist be satisfied with a residual gradient of 30–35mm Hg and mild AR in the neonate?
Xylitol Hydrogenolysis over Ruthenium‐Based Catalysts: Effect of Alkaline Promoters and Basic Oxide‐Modified Catalysts
Authors: Rivière Maxime , Perret Noémie , Cabiac Amandine , Delcroix Damien , Pinel Catherine , Besson Michèle
Published: February 2017

The aqueous‐phase hydrogenolysis of xylitol into glycols over Ru/C was performed in the presence and absence of a wide range of concentrations of Ca(OH)2 to investigate the reaction pathway. Without base, epimerization and cascade decarbonylation were the predominant reactions with high selectivities to C5 and C4 alditols and light alkanes at full conversion. Glycol production was obtained by the addition of Ca(OH)2 to promote the retro‐aldol reaction. It competed with reactions without base and became the main reaction for a OH−/ xylitol molar ratio Rmol(OH/xylitol) of 0.13, and high selectivities to glycols (56 %) and glycerol (16 %) were observed. However, lactate was a byproduct at up to 27 % with a high base amount (Rmol(OH/xylitol)=0.68). Bifunctional Ru/metal oxide/C catalysts (metal: Zn, Sn, Mn, Sr, W) were synthesized and were able to cleave the C−C bond into glycols without a base promoter. The 3.1 wt %Ru/MnO(4.5 %)/C catalyst was the most active (220 h−1) with reasonable selectivity to glycols (22 %) and glycerol (10 %) and a low production of lactate (<1 %). Nevertheless, metal oxide leaching of the catalyst was observed likely because of the production of traces of lactate.
Sol‐Gel Synthesis of Carbon‐Coated LaCoO3 for Effective Electrocatalytic Oxidation of Salicylic Acid
Authors: Sivakumar Mani , Sakthivel Mani , Chen Shen‐Ming , Veerakumar Pitchaimani , Liu Shang‐Bin
Published: February 2017

The electrooxidative activity of a carbon‐coated LaCoO3 (C@LaCoO3) composite material, prepared by using a facile sol‐gel method with citric acid as the carbon precursor, was investigated. The as‐prepared C@LaCoO3 material was characterized by using a variety of different physicochemical techniques, including XRD, SEM, EDX, EIS, and FTIR spectroscopy, which revealed effective coating of carbon on the surfaces of the metal oxide with a well‐defined structure, high crystallinity, and low‐transfer resistance. Based on the results obtained from cyclic voltammetry and amperometric techniques, the C@LaCoO3‐modified electrode was found to exhibit extraordinary electrocatalytic activity for oxidation of salicylic acid with a desirable linear range, sensitivity, and detection limit of 0.0005–2.44 mM, 250.59 μA μM− cm−2, and 0.05 μM, respectively, rendering practical applications for real samples analysis.
Divergent Reactivity of In Situ Generated Metal Azides: Reaction with N,N‐Bis(oxy)enamines as a Case Study
Authors: Zhmurov Petr A. , Khoroshutina Yulia A. , Novikov Roman A. , Golovanov Ivan S. , Sukhorukov Alexey Yu. , Ioffe Sema L.
Published: February 2017

Invited for the cover of this issue is the group of Alexey Sukhorukov at the N. D. Zelinsky Institute of Organic Chemistry. The image depicts the reaction pathways taken by metal azides as a “chemical billiard” game. Read the full text of the article at 10.1002/chem.201605390.
Effect of the Metal Ion on the Enantioselectivity and Linkage Isomerization of Thiosemicarbazone Helicates
Authors: Romero María J. , Suárez Vanesa , Fernández‐Fariña Sandra , Maneiro Marcelino , Martínez‐Núñez Emilio , Zaragoza Guillermo , González‐Noya Ana M. , Pedrido Rosa
Published: February 2017

The effect of the metal ion and ligand design on the enantioselectivity and linkage isomerization of neutral cobalt and zinc bisthiosemicarbazone metallohelicates has been investigated in this work. The electrochemical synthesis has afforded the enantioselective formation of chirally pure cobalt helicates, and the ΛΛ isomer of a single enantiomer has been crystallized as only product for the cobalt methyl‐substituted thiosemicarbazone helicate. Interestingly linkage isomers have been formed from zinc ethyl‐substituted thiosemicarbazone helicate enantiomers for the first time. The co‐existence of these isomers has been evaluated from the point of view of both experimental results and computational calculations.
Dinickel–Salphen Complexes as Binders of Human Telomeric Dimeric G‐Quadruplexes
Authors: Zhou Chun‐Qiong , Liao Ting‐Cong , Li Zi‐Qi , Gonzalez‐Garcia Jorge , Reynolds Matthew , Zou Min , Vilar Ramon
Published: February 2017

Three new polyether‐tethered dinickel–salphen complexes (2 a–c) have been synthesized and fully characterized by NMR spectroscopy, mass spectrometry, and elemental analyses. The binding affinity and selectivity of these complexes and of the parent mono‐nickel complex (1) towards dimeric quadruplex DNA have been determined by UV/Vis titrations, fluorescence spectroscopy, CD spectroscopy, and electrophoresis. These studies have shown that the dinickel–salphen complex with the longest polyether linker (2 c) has higher binding affinity and selectivity towards dimeric quadruplexes (over monomeric quadruplexes) than the dinickel–salphen complexes with the shorter polyether linkers (2 a and 2 b). Complex 2 c also has higher selectivity towards human telomeric dimeric quadruplexes with one TTA linker than the monometallic complex 1. Based on the spectroscopic data, a possible binding mode between complex 2 c and the dimeric G‐quadruplex DNA under study is proposed.
Ring‐Opening Polymerization of Lactide Catalyzed by Bimetallic Salen‐Type Titanium Complexes
Authors: Duan Ranlong , Qu Zhi , Pang Xuan , Zhang Yu , Sun Zhiqiang , Zhang Han , Bian Xinchao , Chen Xuesi
Published: February 2017

Three kinds of bimetallic Schiff base titanium complexes with different substituent moieties on organic ligands were synthesized. Ring‐opening polymerizations (ROP) of lactides were carried out by using these titanium complexes as catalysts. The polymerization data and kinetic studies showed that complex 1a had the highest activity and complex 2a had the lowest activity for ROP of lactides. Moreover, all these three newly synthesized bimetallic titanium complexes showed higher polymerization activity and better molecular weight control than their monometallic counterparts reported in our previous work.
Tannic Acid as a Polyphenol Material‐Assisted Synthesis of Cyclic Carbonates Using CO2 as a Feedstock: Kinetic Characteristic and Mechanism Studies
Authors: Luo Rongchang , Zhang Wuying , Zhou Xiantai , Ji Hongbing
Published: February 2017

Tannic acid (TA)/KI as a cheap, green, highly‐efficient, biocompatible, and recyclable catalytic system represents the excellent synergistic effect in the cycloaddition reactions of CO2 and epoxides under solvent‐free conditions, which is originated from hydrogen bonding between the hydrogen atoms of phenolic hydroxyl groups within TA and the oxygen atom of the epoxide. Therefore, it is considerable to be a sustainable methodology for the utilization of bio‐resources.
Design and rationale of the EBBINGHAUS trial: A phase 3, double‐blind, placebo‐controlled, multicenter study to assess the effect of evolocumab on cognitive function in patients with clinically evident cardiovascular disease and receiving statin background lipid‐lowering therapy—A cognitive study of patients enrolled in the FOURIER trial
Authors: Giugliano Robert P. , Mach Francois , Zavitz Kenton , Kurtz Christopher , Schneider Jingjing , Wang Huei , Keech Anthony , Pedersen Terje R. , Sabatine Marc S. , Sever Peter S. , Honarpour Narimon , Wasserman Scott M. , Ott Brian R. ,   on behalf of the EBBINGHAUS Investigators
Published: February 2017

Some observational studies raised concern that statins may cause memory impairment, leading to a US Food and Drug Administration warning. Similar questions were raised regarding proprotein convertase subtilisin/kexin‐type 9 inhibitors (PCSK9i) and neurocognitive function. No prospectively designed study has evaluated the relationship between long‐term PCSK9i use and cognition changes. Patients with prior cardiovascular disease treated with maximally tolerated statin enrolled in FOURIER (the randomized, double‐blind, placebo‐controlled cardiovascular outcome study of the PCSK9i evolocumab) could participate in this prospective assessment of cognitive function (EBBINGHAUS). Key additional exclusion criteria for EBBINGHAUS were dementia, cognitive impairment, or other significant mental or neurological disorder. Cognitive testing was performed using the Cambridge Neuropsychological Test Automated Battery, a tablet‐based tool assessing executive function, working memory, memory function, and psychomotor speed at baseline, weeks 24 and 48, every 48 weeks thereafter, and study end. The primary endpoint was spatial working memory strategy index of executive function (SWMSI). The primary hypothesis was that evolocumab would be noninferior to placebo in the mean change from baseline over time in SWMSI. Fifteen hundred cognitively normal patients completing the assessments provided approximately 97% power to demonstrate that the upper 95% confidence interval for the treatment difference in mean change from baseline in SWMSI over time is <20% of the SD of the mean change in the placebo group. An exploratory analysis will compare neurocognitive function in patients with post‐baseline low‐density lipoprotein cholesterol <25 mg/dL. EBBINGHAUS will evaluate whether the addition of evolocumab to statin therapy affects cognitive function over time in patients with stable cardiovascular disease.
An investigation of dimensional scaling using cervical spine motion segment finite element models
Authors: Singh Dilaver , Cronin Duane S.
Published: February 2017

The paucity of experimental data for validating computational models of different statures underscores the need for appropriate scaling methods so that models can be verified and validated using experimental data. Scaling was investigated using 50th percentile male (M50) and 5th percentile female (F05) cervical spine motion segment (C4‐C5) finite element models subject to tension, flexion, and extension loading. Two approaches were undertaken: geometric scaling of the models to investigate size effects (volumetric scaling) and scaling of the force‐displacement or moment‐angle model results (data scaling). Three sets of scale factors were considered: global (body mass), regional (neck dimensions), and local (segment tissue dimensions).

Volumetric scaling of the segment models from M50 to F05, and vice versa, produced correlations that were good or excellent in both tension and flexion (0.825‐0.991); however, less agreement was found in extension (0.550‐0.569). The reduced correlation in extension was attributed to variations in shape between the models leading to nonlinear effects such as different time to contact for the facet joints and posterior processes. Data scaling of the responses between the M50 and F05 models produced similar trends to volumetric scaling, with marginally greater correlations.

Overall, the local tissue level and neck region level scale factors produced better correlations than the traditional global scaling. The scaling methods work well for a given subject, but are limited in applicability between subjects with different morphology, where nonlinear effects may dominate the response.
Planarizable Push–Pull Probes: Overtwisted Flipper Mechanophores
Authors: Macchione Mariano , Chuard Nicolas , Sakai Naomi , Matile Stefan
Published: February 2017

Planarizable push–pull fluorescent probes, also referred to as flipper probes, have been introduced as conceptually innovative mechanophores that report on forces in their local environment in lipid bilayer membranes. The best flipper probes respond to a change from liquid disordered to solid ordered membranes with a red shift in excitation of 50–90 nm. A simultaneous increase in fluorescence lifetime and negligible background fluorescence from the aqueous phase qualifies these fluorescent probes for meaningful imaging in live cells. Here, we report that the replacement of methyl with isobutyl substituents along the scaffold of a dithienothiophene dimer strongly reduces fluorescence intensity but increases solvatochromism slightly. These trends imply that the large substituents in “leucine flippers” hinder the planarization in the first excited state to result in twisted intramolecular charge transfer (TICT). As a result of this overtwisting, the leucine flippers form interesting fluorescent micelles in water but fail to respond to changes in membrane order. These dramatic changes in function provide one of the most impressive illustrations for the hypersensitivity of fluorescent membrane probes toward small changes in their structure.
Utility of BRCA1‐associated protein 1 immunoperoxidase stain to differentiate benign versus malignant mesothelial proliferations in cytologic specimens
Authors: McCroskey Zulfia , Staerkel Gregg , Roy‐Chowdhuri Sinchita
Published: February 2017

Background

Loss of BAP1 has recently been described as a highly specific marker for distinguishing malignant mesotheliomas (MM) from benign mesothelial proliferations (BMP). The aim of this study was to evaluate the utility of BAP1 in cytospin and cell block (CB) preparations.

Methods

We searched the database at our institution for cases of MM (n = 21) and BMP (n = 11). A Papanicolaou stained cytospin preparation and CB section from each case were selected for BAP1 staining. The results were scored as nuclear BAP1 staining, absent or present. Positive staining in non‐neoplastic cells was noted as internal control.

Results

In the study group, MM cells showed a loss of BAP1 staining in 18/21(86%) cytospin and 19/21(90%) CB preparations. All cytospins showed appropriate positive nuclear staining in the “internal control” inflammatory cells. However, only 17/21(81%) of CB sections showed good internal control with positive nuclear staining in inflammatory cells. The intensity of BAP1 nuclear staining varied across cases. Overall, the intensity of staining was higher in cytospins, providing sharper contrast between the malignant cells with loss of stain and the benign inflammatory cells with retained stain in cases of MM. Sensitivity/specificity for cytospins when compared with CB was 86/100 and 88/100%, respectively.

Conclusions

Cytospin preparations have comparable sensitivity and specificity to CB with greater intensity and better contrast between negative and positive nuclei making the interpretation easier. We advise to interpret BAP1 IPOX stain results with caution with careful attention to staining of background nonmalignant “internal control” cells. Diagn. Cytopathol. 2017;45:312–319. © 2016 Wiley Periodicals, Inc.
Complex variation in habitat selection strategies among individuals driven by extrinsic factors
Authors: Raynor Edward J. , Beyer Hawthorne L. , Briggs John M. , Joern Anthony
Published: February 2017

Understanding behavioral strategies employed by animals to maximize fitness in the face of environmental heterogeneity, variability, and uncertainty is a central aim of animal ecology. Flexibility in behavior may be key to how animals respond to climate and environmental change. Using a mechanistic modeling framework for simultaneously quantifying the effects of habitat preference and intrinsic movement on space use at the landscape scale, we investigate how movement and habitat selection vary among individuals and years in response to forage quality–quantity tradeoffs, environmental conditions, and variable annual climate. We evaluated the association of dynamic, biotic forage resources and static, abiotic landscape features with large grazer movement decisions in an experimental landscape, where forage resources vary in response to prescribed burning, grazing by a native herbivore, the plains bison (Bison bison bison), and a continental climate. Our goal was to determine how biotic and abiotic factors mediate bison movement decisions in a nutritionally heterogeneous grassland. We integrated spatially explicit relocations ofGPS‐collared bison and extensive vegetation surveys to relate movement paths to grassland attributes over a time period spanning a regionwide drought and average weather conditions. Movement decisions were affected by foliar crude content and low stature forage biomass across years with substantial interannual variation in the magnitude of selection for forage quality and quantity. These differences were associated with interannual differences in climate and growing conditions from the previous year. Our results provide experimental evidence for understanding how the forage quality–quantity tradeoff and fine‐scale topography drives fine‐scale movement decisions under varying environmental conditions.
Immigration ensures population survival in the Siberian flying squirrel
Authors: Brommer Jon E. , Wistbacka Ralf , Selonen Vesa
Published: February 2017

Linking dispersal to population growth remains a challenging task and is a major knowledge gap, for example, for conservation management. We studied relative roles of different demographic rates behind population growth in Siberian flying squirrels in two nest‐box breeding populations in western Finland. Adults and offspring were captured and individually identifiable. We constructed an integrated population model, which estimated all relevant annual demographic rates (birth, local [apparent] survival, and immigration) as well as population growth rates. One population (studied 2002–2014) fluctuated around a steady‐state equilibrium, whereas the other (studied 1995–2014) showed a numerical decline. Immigration was the demographic rate which showed clear correlations to annual population growth rates in both populations. Population growth rate was density dependent in both populations. None of the demographic rates nor the population growth rate correlated across the two study populations, despite their proximity suggesting that factors regulating the dynamics are determined locally. We conclude that flying squirrels may persist in a network of uncoupled subpopulations, where movement between subpopulations is of critical importance. Our study supports the view that dispersal has the key role in population survival of a small forest rodent.
Crystal Structure and Magnetic Characterization of Three‐Coordinate [M{N(SiMe3)2}2(PCyp3)] Complexes with M = MnII, FeII, and CoII (Cyp = Cyclopentyl)
Authors: Werncke C. Gunnar , Vendier Laure , Sabo‐Etienne Sylviane , Sutter Jean‐Pascal , Pichon Céline , Bontemps Sébastien
Published: February 2017

Syntheses and magnetic behavior of bis(trimethylsilyl)amido tricyclopentylphosphane complexes [M{N(SiMe3)2}2(PCyp3)] of manganese(II), iron(II), and cobalt(II) are described. Crystal structures for this series of rare phosphane adducts of homoleptic bis(trimethylsilyl)amide complexes have been solved. The Fe and Co derivatives have been found to possess large magnetic anisotropy, with zero‐field splitting (ZFS) parameters, D, of –38 and –57 cm–1, respectively. Both compounds exhibit slow relaxation of their magnetization in an applied field.
A Triarylated 1,2,3‐Triazol‐5‐ylidene Ligand with a Redox‐Active Ferrocenyl Substituent for Rhodium(I)‐Catalyzed Hydroformylation of 1‐Octene
Authors: Aucamp Danielle , Witteler Tim , Dielmann Fabian , Siangwata Shepherd , Liles David C. , Smith Gregory S. , Bezuidenhout Daniela I.
Published: February 2017

A series of rhodium(I)–1,2,3‐triazol‐5‐ylidene (trz) complexes are described, containing either a novel triarylated trz ligand A′ (N1, N3‐arylated, C4‐ferrocenyl) {complexes 1, [Rh(A′)Cl(cod)]; 4, [Rh(A′)Cl(CO)2]}, or N3‐alkylated triazolylidenes with a C4‐ferrocenyl {2, [Rh(B′)Cl(cod)]; 5, [Rh(B′)Cl(CO)2]} or C4‐phenyl substituent {3, [Rh(C′)Cl(cod)]; 6, [Rh(C′)Cl(CO)2]}. The free mesoionic carbene (MIC) A′ is structurally characterized and its electronic properties evaluated by employing the complex [Pd(Br)2(iPr2‐bimy)(A′)] (7) in an NMR spectroscopic analysis method. The redox activity of A′ is exploited, and the chemically oxidized precursor Aox and complex 4ox are isolated. The mesoionic carbene complexes 1–3, as well as in situ oxidized 1ox, are used as homogeneous catalysts for the hydroformylation of 1‐octene for the first time, and the influence of chemical oxidation of the catalyst on the activity and chemo‐ and regioselectivity of the catalyst precursor 1 is evaluated.