bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis and Mechanical Properties of Novel Ni/PU Hybrid Foams: A New Economic Composite Material for Energy Absorbers
Authors: Jung Anne , Diebels Stefan
Published: September 2015

Open‐cell Al foams electrocoated with nano‐Ni improve the energy absorption capacity in comparison to pure Al foams. Since Al foams are very expensive and as seen from micromechanical FE‐simulations that the most stress under loading is on the coating, in this contribution, polyurethane (PU) foams are electrocoated with nano‐Ni. The Ni/Al and the Ni/PU foams are compared regarding strength, energy absorption capacity, and costs using quasi‐static compression tests and digital image correlation. Compared to Ni/Al foams, the new Ni/PU foams provide only a third of the specific energy absorption capacity per density but they are largely superior in costs per absorbed amount of energy.
Engineering Cell‐Compatible Paper Chips for Cell Culturing, Drug Screening, and Mass Spectrometric Sensing
Authors: Chen Qiushui , He Ziyi , Liu Wu , Lin Xuexia , Wu Jing , Li Haifang , Lin Jin‐Ming
Published: September 2015

Paper‐supported cell culture is an unprecedented development for advanced bioassays. This study reports a strategy for in vitro engineering of cell‐compatible paper chips that allow for adherent cell culture, quantitative assessment of drug efficiency, and label‐free sensing of intracellular molecules via paper spray mass spectrometry. The polycarbonate paper is employed as an excellent alternative bioscaffold for cell distribution, adhesion, and growth, as well as allowing for fluorescence imaging without light scattering. The cell‐cultured paper chips are thus amenable to fabricate 3D tissue construction and cocultures by flexible deformation, stacks and assembly by layers of cells. As a result, the successful development of cell‐compatible paper chips subsequently offers a uniquely flexible approach for in situ sensing of live cell components by paper spray mass spectrometry, allowing profiling the cellular lipids and quantitative measurement of drug metabolism with minimum sample pretreatment. Consequently, the developed paper chips for adherent cell culture are inexpensive for one‐time use, compatible with high throughputs, and amenable to label‐free and rapid analysis.
CFD–DEM modeling of gas fluidization of fine ellipsoidal particles
Authors: Gan Jieqing , Zhou Zongyan , Yu Aibing
Published: September 2015

Particle characteristics are important factors affecting gas fluidization. In this work, the effects of both particle size and shape on fluidization in different flow regimes are studied using the combined computational fluid dynamic–discrete element method approach. The results are first analyzed in terms of flow patterns and fluidization parameters such as pressure drop, minimum fluidization, and bubbling velocities. The results show that with particle size decreasing, agglomerates can be formed for fine ellipsoidal particles. In particular, “chain phenomenon,” a special agglomerate phenomenon exists in expanded and fluidized beds for fine prolate particles, which is caused by the van der Waals force. The minimum fluidization velocity increases exponentially with the increase of particle size, and for a given size, it shows a “W” shape with aspect ratio. A correlation is established to describe the dependence of minimum fluidization velocity on particle size and shape. Ellipsoids have much higher minimum bubbling velocities and fluidization index than spheres. © 2015 American Institute of Chemical Engineers AIChE J, 62: 62–77, 2016
Quantitative assessment of fine‐grid kinetic‐theory‐based predictions of mean‐slip in unbounded fluidization
Authors: Fullmer William D. , Hrenya Christine M.
Published: September 2015

Significance

The quantitative ability of a kinetic‐theory‐based, two‐fluid model is demonstrated in a clustering (unstable) gas‐solid system via highly resolved simulations. Unlike previous works, this assessment is validated against ideal computational fluid dynamics‐discrete element method data to minimize sources of discrepancy. Overall, good agreement in mean‐slip velocities is observed with relative errors less than 20% over a mean solids concentration range of 0.02–0.25. Local concentration gradient distributions are also studied, showing a distinct shift toward higher gradients at higher mean solids concentrations which is proposed as the bottleneck in obtaining grid‐independence rather than the cluster length scale. © 2015 American Institute of Chemical Engineers AIChE J, 62: 11–17, 2016
A Four‐Component Domino Reaction: An Eco‐Compatible Access to Diversified Imidazo[2,1‐b][1,3]thiazin‐5‐ones
Authors: Kaur Tanpreet , Wadhwa Preeti , Sharma Anuj
Published: September 2015

A multicomponent domino reaction of thiourea, alkyl propiolates, aldehydes, and isocyanides has been established, providing direct access to 2‐aryl‐5 H‐imidazo[2,1‐b][1,3]thiazin‐5‐one scaffolds. The simplicity of execution, readily available substrates, cheap reagents, high yields, excellent functional group tolerance, scalability, and good scores of environmental parameters make this synthetic strategy more efficient and worthy of further attention.
A General Synthetic Approach for Designing Epitope Targeted Macrocyclic Peptide Ligands
Authors: Das Samir , Nag Arundhati , Liang JingXin , Bunck David N. , Umeda Aiko , Farrow Blake , Coppock Matthew B. , Sarkes Deborah A. , Finch Amethist S. , Agnew Heather D. , Pitram Suresh , Lai Bert , Yu Mary Beth , Museth A. Katrine , Deyle Kaycie M. , Lepe Bianca , Rodriguez‐Rivera Frances P. , McCarthy Amy , Alvarez‐Villalonga Belen , Chen Ann , Heath John , Stratis‐Cullum Dimitra N. , Heath James R.
Published: September 2015

We describe a general synthetic strategy for developing high‐affinity peptide binders against specific epitopes of challenging protein biomarkers. The epitope of interest is synthesized as a polypeptide, with a detection biotin tag and a strategically placed azide (or alkyne) presenting amino acid. This synthetic epitope (SynEp) is incubated with a library of complementary alkyne or azide presenting peptides. Library elements that bind the SynEp in the correct orientation undergo the Huisgen cycloaddition, and are covalently linked to the SynEp. Hit peptides are tested against the full‐length protein to identify the best binder. We describe development of epitope‐targeted linear or macrocycle peptide ligands against 12 different diagnostic or therapeutic analytes. The general epitope targeting capability for these low molecular weight synthetic ligands enables a range of therapeutic and diagnostic applications, similar to those of monoclonal antibodies.
The Fe–V Cofactor of Vanadium Nitrogenase Contains an Interstitial Carbon Atom
Authors: Rees Julian A. , Bjornsson Ragnar , Schlesier Julia , Sippel Daniel , Einsle Oliver , DeBeer Serena
Published: September 2015

The first direct evidence is provided for the presence of an interstitial carbide in the FeV cofactor of Azotobacter vinelandii vanadium nitrogenase. As for our identification of the central carbide in the FeMo cofactor, we employed Fe Kβ valence‐to‐core X‐ray emission spectroscopy and density functional theory calculations, and herein report the highly similar spectra of both variants of the cofactor‐containing protein. The identification of an analogous carbide, and thus an atomically homologous active site in vanadium nitrogenase, highlights the importance and influence of both the interstitial carbide and the identity of the heteroatom on the electronic structure and catalytic activity of the enzyme.
Thermal Dehydrogenation of Base‐Stabilized B2H5+ Complexes and Its Role in CH Borylation
Authors: Prokofjevs Aleksandrs
Published: September 2015

Thermally induced dehydrogenation of the H‐bridged cation L2B2H5+ (L=Lewis base) is proposed to be the key step in the intramolecular CH borylation of tertiary amine boranes activated with catalytic amounts of strong “hydridophiles”. Loss of H2 from L2B2H5+ generates the highly reactive cation L2B2H3+, which in its sp2‐sp3 diborane(4) form then undergoes either an intramolecular CH insertion with BB bond cleavage, or captures BH3 to produce L2B3H6+. The effect of the counterion stability on the outcome of the reaction is illustrated by formation of LBH2C6F5 complexes through disproportionation of L2B2H5+ HB(C6F5)3−.
Aromatic Esters of Bicyclic Amines as Antimicrobials against Streptococcus pneumoniae
Authors: de Gracia Retamosa María , Díez‐Martínez Roberto , Maestro Beatriz , García‐Fernández Esther , de Waal Bas , Meijer E. W. , García Pedro , Sanz Jesús M.
Published: September 2015

A double approach was followed in the search of novel inhibitors of the surface choline‐binding proteins (CBPs) of Streptococcus pneumoniae (pneumococcus) with antimicrobial properties. First, a library of 49 rationally‐designed esters of alkyl amines was screened for their specific binding to CBPs. The best binders, being esters of bicyclic amines (EBAs), were then tested for their in vitro effect on pneumococcal growth and morphology. Second, the efficiency of EBA‐induced CBP inhibition was enhanced about 45 000‐fold by multivalency effects upon synthesizing a poly(propylene imine) dendrimer containing eight copies of an atropine derivative. Both approaches led to compounds that arrest bacterial growth, dramatically decrease cell viability, and exhibit a protection effect in animal disease models, demonstrating that the pneumococcal CBPs are adequate targets for the discovery of novel antimicrobials that overcome the currently increasing antimicrobial resistance issues.
Enzymatically Shifting Nitroxides for EPR Spectroscopy and Overhauser‐Enhanced Magnetic Resonance Imaging
Authors: Audran Gérard , Bosco Lionel , Brémond Paul , Franconi Jean‐Michel , Koonjoo Neha , Marque Sylvain R. A. , Massot Philippe , Mellet Philippe , Parzy Elodie , Thiaudière Eric
Published: September 2015

In vivo investigations of enzymatic processes using non‐invasive approaches are a long‐lasting challenge. Recently, we showed that Overhauser‐enhanced MRI is suitable to such a purpose. A β‐phosphorylated nitroxide substrate prototype exhibiting keto–enol equilibrium upon enzymatic activity has been prepared. Upon enzymatic hydrolysis, a large variation of the phosphorus hyperfine coupling constant (ΔaP=4 G) was observed. The enzymatic activities of several enzymes were conveniently monitored by electronic paramagnetic resonance (EPR). Using a 0.2 T MRI machine, in vitro and in vivo OMRI experiments were successfully performed, affording a 1200 % enhanced MRI signal in vitro, and a 600 % enhanced signal in vivo. These results highlight the enhanced imaging potential of these nitroxides upon specific enzymatic substrate‐to‐product conversion.
Morphology‐Controlled Synthesis of Organometal Halide Perovskite Inverse Opals
Authors: Chen Kun , Tüysüz Harun
Published: September 2015

The booming development of organometal halide perovskites in recent years has prompted the exploration of morphology‐control strategies to improve their performance in photovoltaic, photonic, and optoelectronic applications. However, the preparation of organometal halide perovskites with high hierarchical architecture is still highly challenging and a general morphology‐control method for various organometal halide perovskites has not been achieved. A mild and scalable method to prepare organometal halide perovskites in inverse opal morphology is presented that uses a polystyrene‐based artificial opal as hard template. Our method is flexible and compatible with different halides and organic ammonium compositions. Thus, the perovskite inverse opal maintains the advantage of straightforward structure and band gap engineering. Furthermore, optoelectronic investigations reveal that morphology exerted influence on the conducting nature of organometal halide perovskites.
Single‐Nanoparticle Collision Events: Tunneling Electron Transfer on a Titanium Dioxide Passivated n‐Silicon Electrode
Authors: Ahn Hyun S. , Bard Allen J.
Published: September 2015

Single‐nanoparticle collisions were observed on an n‐type silicon electrode (600 μm diameter) passivated by a thin layer of amorphous TiO2, where the current steps occurred by tunneling electron transfer. The observed collision frequency was in reasonable agreement with that predicted from theory. The isolated electrode, after a collision experiment, with a Pt/TiO2/n‐Si architecture was shown to retain the photoelectrochemical properties of n‐Si without photocorrosion or current decay. The Pt/TiO2/n‐Si electrode produced 19 mA cm−2 of photocurrent density under 100 mW cm−2 irradiation from a xenon lamp during oxygen evolution without current fading for over 12 h.
A Bio‐inspired Approach for Chromophore Communication: Ligand‐to‐Ligand and Host‐to‐Guest Energy Transfer in Hybrid Crystalline Scaffolds
Authors: Dolgopolova Ekaterina A. , Williams Derek E. , Greytak Andrew B. , Rice Allison M. , Smith Mark D. , Krause Jeanette A. , Shustova Natalia B.
Published: September 2015

Efficient multiple‐chromophore coupling in a crystalline metal–organic scaffold was achieved by mimicking a protein system possessing 100 % energy‐transfer (ET) efficiency between a green fluorescent protein variant and cytochrome b562. The two approaches developed for ET relied on the construction of coordination assemblies and host–guest coupling. Based on time‐resolved photoluminescence measurements in combination with calculations of the spectral overlap function and Förster radius, we demonstrated that both approaches resulted in a very high ET efficiency. In particular, the observed ligand‐to‐ligand ET efficiency value was the highest reported so far for two distinct ligands in a metal–organic framework. These studies provide important insights for the rational design of crystalline hybrid scaffolds consisting of a large ensemble of chromophore molecules with the capability of directional ET.
Highly dispersed palladium nanoclusters incorporated in amino‐functionalized silica spheres for the selective hydrogenation of succinic acid to γ‐butyrolactone
Authors: You Chenjia , Zhang Chi , Chen Lifang , Qi Zhiwen
Published: September 2015

Highly dispersed palladium nanoclusters incorporated on amino‐functionalized silica sphere surfaces (Pd/SiO2‐NH2) were fabricated by a simple one‐pot synthesis utilizing 3‐(2‐aminoethylamino)propyltrimethoxysilane (AAPTS) as coordinating agent. Uniform palladium nanoclusters with an average size of 1.1 nm can be obtained during the co‐condensation of tetraethyl orthosilicate and AAPTS owing to the strong interaction between palladium species and amino groups in AAPTS. The palladium particle size can be controlled by addition of AAPTS and plays a significant role in the catalytic performance. The Pd/SiO2‐NH2 catalyst exhibits high catalytic activity for succinic acid hydrogenation with 100% conversion and 94% selectivity towards γ‐butyrolactone using 1,4‐dioxane as solvent at 240°C and 60 bar for 4 h. Moreover, the Pd/SiO2‐NH2 catalyst is robust and readily reusable without loss of its catalytic activity. Copyright © 2015 John Wiley & Sons, Ltd.
Effect of liquid sheet and gas streams characteristics on the instability of a hollow cone spray using an improved linear instability analysis
Authors: Hosseinalipour Seyed Mostafa , Ghorbani Ramin , Karimaei Hadiseh
Published: September 2015

The breakup of a liquid sheet or jet is led to atomization phenomenon. The liquid sheet surface instability controls spray formation and determines the spray characteristics. Therefore, the instability study of the liquid jet has attracted a lot of attentions so that a lot of works have been carried out on this subject. The instability study of a swirling annular liquid sheet exposed to inner and outer gas streams is represented in the paper. A three‐dimensional flow for the liquid sheet and a two‐dimensional flow for inner and outer gas streams have been considered. In previous studies, a cylindrical liquid sheet has been considered, but in this study, the instability theory is implemented on a conical liquid sheet for different cone angles. The effects of swirl velocity of the liquid sheet and axial velocity of the gas streams on the sheet instability and breakup length have been investigated. Results show that liquid swirl Weber number has a destabilizing effect on a conical liquid jet. Study of the effect of ambient pressure shows that disturbance growth rate increases with increasing gas‐to‐liquid density ratio. The effect of spray angle on the instability of the liquid sheet is a very important issue in combustion chamber design especially when the available space and/or weight is limited. Higher spray angle enhances the instability of the liquid sheet, and it leads to a shorter breakup length and larger ligaments. Sheet thickness is another parameter that has been considered. Increasing sheet thickness enhances the sheet instability. These behaviors are consistent with the experimental observations. © 2015 Curtin University of Technology and John Wiley & Sons, Ltd.
Design, Synthesis, and Molecular Docking of Novel Pyrrolooxazepinediol Derivatives with Anti‐Influenza Neuraminidase Activity
Authors: El‐Nezhawy Ahmed O. H. , Eweas Ahmad F. , Maghrabi Ibrahim A. , Edalo Ahmed S. , Abdelwahab Sayed F.
Published: September 2015

A series of novel pyrrolo[2,1‐b][1,3]oxazepine‐8,9‐diol derivatives 12–15 were synthesized starting from l‐tartaric acid, which was transformed into anhydride which then reacted with allylamine in xylene to afford the imide 2. The target molecules 12–15 were achieved via ring‐closing metathesis with the Grubbs catalyst, followed by reduction of the carbonyl group and deprotection of hydroxyl groups. Finally, catalytic hydrogenation of the double bond afforded the title compounds 12–15. Molecular docking study of the title compounds 12–15 was carried out against neuraminidase as the target enzyme, in an attempt to understand the mechanism of action of the tested compounds as potential neuraminidase inhibitors. Molecular docking of the target compounds showed that all tested compounds bind to the active site of neuraminidase, with moderate to high binding energy. Compounds 12–15 were examined for their antiviral activity against H5N1 virus (A/chicken/Egypt/1/2008). Oseltamivir phosphate was used as a control for antiviral activity. The results show that compound 12 (EC50 = 0.016 μg/mL) exhibited potent anti‐influenza (H5N1) activity, which approximately equals that of oseltamivir (EC50 = 0.012 μg/mL). Also, it had a therapeutic index similar to that of oseltamivir phosphate (∼20). The data also revealed that compounds 13, 14, and 15 had slightly lower antiviral activity and lower cytotoxicity than oseltamivir phosphate, with LD50 of 0.188, 0.162, and 0.176 μg/mL, respectively. However, 13, 14, and 15 had lower therapeutic indices than 12. In conclusion, we were able to synthesize cheap and potent anti‐H5N1 compounds.
Synthesis and Identification of Pregnenolone Derivatives as Inhibitors of Isozymes of 5α‐Reductase
Authors: Chávez‐Riveros Alejandra , Bratoeff Eugene , Heuze Yvonne , Soriano Juan , Moreno Isabel , Sánchez‐Márquez Araceli , Cabeza Marisa
Published: September 2015

Hyperplasia of the prostate gland and prostate cancer have been associated with high levels of serum 5α‐dihydrotestosterone. This steroid is formed from testosterone by the activity of the enzyme 5α‐reductase (5α‐R) present in the prostate. Thus, inhibition of this enzyme could be a goal for therapies to treat these diseases. This study reports the synthesis and effects of five different 21‐esters of pregnenolone derivatives as inhibitors of 5α‐R types 1 and 2. The activity of these steroidal compounds was determined using in vivo and in vitro experiments. The results indicate that of the five steroids studied, the 21(p‐fluoro)benzoyloxypregna‐4,16‐diene‐3,6,20‐trione derivative, whose structure has not yet been reported, has the best molecular conformation to inhibit the in vitro activity of both types of 5α‐R. In addition, this steroid also displayed activity in vivo. Apparently, its pharmacological effect was increased by the presence of a keto group at C‐6, because this group decreased the possibility that the steroid would be metabolized by hepatic enzymes. In addition, the double bond present at C‐4 of this compound also enhanced its inhibitory activity on 5α‐R, and the C‐21 ester moiety increased its liphophilicity. Therefore, its solubility in the cell membrane and its pharmacological activity were both increased.
Total Synthesis of (±)‐Englerin A Using An Intermolecular [3+2] Cycloaddition Reaction of Platinum‐Containing Carbonyl Ylide
Authors: Kusama Hiroyuki , Tazawa Aoi , Ishida Kento , Iwasawa Nobuharu
Published: September 2015

Total synthesis of (±)‐Englerin A has been achieved starting from γ,δ‐ynone 5 in 14 steps. The key feature of this synthesis is the highly efficient and stereoselective preparation of 8‐oxabicyclo[3.2.1]octane derivative 6, a core skeleton of Englerin A, based on an inverse electron‐demand [3+2] cycloaddition reaction of the platinum‐containing carbonyl ylide, which was developed in our laboratory.
A Remarkably Efficient MnFe2O4‐based Oxidase Nanozyme
Authors: Vernekar Amit A. , Das Tandrila , Ghosh Sourav , Mugesh Govindasamy
Published: September 2015

Nanomaterials‐based enzyme mimetics (nanozymes) have attracted considerable interest due to their applications in imaging, diagnostics, and therapeutic treatments. Particularly, metal‐oxide nanozymes have been shown to mimic the interesting redox properties and biological activities of metalloenzymes. Here we describe an efficient synthesis of MnFe2O4 nanomaterials and show how the morphology can be controlled by using a simple co‐precipitation method. The nanomaterials prepared by this method exhibit a remarkable oxidase‐like activity. Interestingly, the activity is morphology‐dependent, with nanooctahedra (NOh) exhibiting a catalytic efficiency of 2.21×109 m−1 s−1, the highest activity ever reported for a nanozyme.
Automatic calibration of fundamental diagram for first‐order macroscopic freeway traffic models
Authors: Zhong Renxin , Chen Changjia , Chow Andy H. F. , Pan Tianlu , Yuan Fangfang , He Zhaocheng
Published: September 2015

Despite its importance in macroscopic traffic flow modeling, comprehensive method for the calibration of fundamental diagram is very limited. Conventional empirical methods adopt a steady state analysis of the aggregate traffic data collected from measurement devices installed on a particular site without considering the traffic dynamics, which renders the simulation may not be adaptive to the variability of data. Nonetheless, determining the fundamental diagram for each detection site is often infeasible. To remedy these, this study presents an automatic calibration method to estimate the parameters of a fundamental diagram through a dynamic approach. Simulated flow from the cell transmission model is compared against the measured flow wherein an optimization merit is conducted to minimize the discrepancy between model‐generated data and real data. The empirical results prove that the proposed automatic calibration algorithm can significantly improve the accuracy of traffic state estimation by adapting to the variability of traffic data when compared with several existing methods under both recurrent and abnormal traffic conditions. Results also highlight the robustness of the proposed algorithm. The automatic calibration algorithm provides a powerful tool for model calibration when freeways are equipped with sparse detectors, new traffic surveillance systems lack of comprehensive traffic data, or the case that lots of detectors lose their effectiveness for aging systems. Furthermore, the proposed method is useful for off‐line model calibration under abnormal traffic conditions, for example, incident scenarios. Copyright © 2015 John Wiley & Sons, Ltd.
Simplifying sample preparation using fabric phase sorptive extraction technique for the determination of benzodiazepines in blood serum by high‐performance liquid chromatography
Authors: Samanidou Victoria , Kaltzi Ioanna , Kabir Abuzar , Furton Kenneth G.
Published: September 2015

Fabric phase sorptive extraction (FPSE), a recently introduced novel sample preparation technology, has been evaluated for the extraction of benzodiazepines from human blood serum. FPSE utilizes a flexible fabric surface as the substrate platform for creating sol‐gel hybrid organic‐inorganic sorbent coatings. FPSE media can be introduced directly into the sample containing the target analyte(s), requiring no need for prior sample pretreatment or clean‐up. Benzodiazepines were selected as model analytes because they represent one of the most widely used therapeutic drugs in psychiatry and are also amongst the most frequently encountered drugs in forensic toxicology. The chromatographic separation of target analytes was performed on a LiChroCART‐LiChrospher®100 RP‐18e (5 µm, 250 × 4 mm) analytical column, operated at room temperature. Ternary gradient elution was applied with a mobile phase that consisted of acetonitrile, methanol and ammonium acetate (0.05 M), which was delivered at a flow rate of 1.0 mL/min. Diode array detection was performed with monitoring at 240 nm. FPSE was performed using cellulose fabric extraction media coated with sol‐gel poly(ethylene glycol) (sol‐gel PEG). Absolute recovery values in the equilibrium state for the examined benzodiazepines were found to be 27% for bromazepam, 63% for lorazepam, 42 % for diazepam and 39% for alprazolam. Copyright © 2015 John Wiley & Sons, Ltd.
Development and validation of a liquid chromatography‐tandem mass spectrometry (LC‐MS/MS) method for the quantification of tigecycline in rat brain tissues
Authors: Munyeza Chiedza F. , Shobo Adeola , Baijnath Sooraj , Bratkowska Dominika , Naiker Suhashni , Bester Linda A. , Singh Sanil D. , Maguire Glenn E. M. , Kruger Hendrik G. , Naicker Tricia , Govender Thavendran
Published: September 2015

Tigecycline (TIG), a derivative of minocycline, is the first in the novel class of glycylcyclines and is currently indicated for the treatment of complicated skin structure and intra‐abdominal infections. A selective, accurate and reversed‐phase high‐performance liquid chromatography‐tandem mass spectrometry (HPLC‐MS/MS) method was developed for the determination of TIG in rat brain tissues. Sample preparation was based on protein precipitation and solid phase extraction using Supel‐Select HLB (30 mg/1 mL) cartridges. The samples were separated on a YMC Triart C18 column (150 mm x 3.0 mm. 3.0 µm) using gradient elution. Positive electrospray ionization (ESI+) was used for the detection mechanism with the multiple reaction monitoring (MRM) mode. The method was validated over the concentration range of 150–1200 ng/mL for rat brain tissue. The precision and accuracy for all brain analyses were within the acceptable limit. The mean extraction recovery in rat brain was 83.6%. This validated method was successfully applied to a pharmacokinetic study in female Sprague Dawley rats, which were given a dose of 25 mg/kg TIG intraperitoneally at various time‐points. Copyright © 2015 John Wiley & Sons, Ltd.
Development and validation of a UHPLC‐MS/MS bioanalytical method to quantify in plasma the analgesic candidate PT‐31 following a preliminary pharmacokinetic study in rats
Authors: Bessegato T. C. , Niehues M. , Buqui G. A. , Lopes N. P. , Pitta I. R. , Galdino S. L. , Dalla Costa T.
Published: September 2015

A selective and sensitive UHPLC‐MS/MS bioanalytical method to determine PT‐31, an analgesic drug candidate, in rat plasma was developed and validated. Analyses were performed using a UHPLC‐MS/MS system equipped with an electrospray ionization interface operating in the positive ionization mode using a C18 reversed‐phase column with a mobile phase of water:acetonitrile (68:31, v/v) containing 0.1% acetic acid eluting in a gradient mode with a flow rate of 0.3 mL/min. Plasma samples were deproteinized with cold acetonitrile containing 0.01% TFA (1:2, v/v) and 50 μL of the supernatant were injected into the system. PT‐31 and phenytoin (internal standard) retention times were roughly 1.0 and 1.5 min, respectively. Linear standard curves were plotted for the 0.01–10 µg/mL concentration range, with a coefficient of determination > 0.99. The method's precision was over 88%. Maximum intra‐ and inter‐day relative standard deviations were 14.6% and 11.6%, respectively. Interfering substances were not detected in the chromatogram, indicating that the method was specific. PT‐31 stability was assessed under different temperature and storage settings. The method was used to characterize PT‐31 plasma pharmacokinetics following administration of 5 mg/kg i.v. to Wistar rats. Therefore, the method described is sensitive, linear, precise and specific enough to determine PT‐31 in preclinical pharmacokinetic investigations. Copyright © 2015 John Wiley & Sons, Ltd.
Impact of drying and thiel embalming on mechanical properties of achilles tendons
Authors: Verstraete Matthias André , Van Der Straeten Catherine , De Lepeleere Bram , Opsomer Gert‐Jan , Van Hoof Tom , Victor Jan
Published: September 2015

Biomechanical research and orthopedic training is regularly carried out on human cadavers. Given the post‐mortem decay, these cadavers were usually frozen or embalmed. The embalming method according to Dr. Thiel was often praised for the preservation of natural texture. The main aim of this article was to quantitatively analyze the impact of this embalming technique on the biomechanical properties. To that extent, Achilles tendons (calcaneal tendons) of seven cadavers have been tested. For each cadaver, a first tendon was tested following a fresh‐frozen conservation, the other following the Thiel embalming process. The results indicated a significant difference in Young's modulus between both groups (P values = 0.046). The secondary aim of this article was to analyze the impact of exposure to room conditions and associated dehydration on the biomechanical properties of cadaver tissue. Therefore, each tendon was tested before and after 2 hr of exposure to room conditions. The resulting dehydration caused a significant increase of the Young's modulus for the thawed fresh‐frozen tendons. The properties of the Thiel embalmed tendons were not significantly altered. In conclusion, this research promoted the use of fresh‐frozen specimens for biomechanical testing. Effort should, however, be made to minimize dehydration of the tested specimens. Clin. Anat. 28:994–1001, 2015. © 2015 Wiley Periodicals, Inc.
Revisiting the surface anatomy of the sciatic nerve in the gluteal region in children using computed tomography
Authors: Selkirk Gregory D. , Mclaughlin Andrew C. , Mirjalili S. Ali
Published: September 2015

No anatomy text specifically describes the course of the sciatic nerve (SN) in the gluteal region in children. Anatomical information is largely derived from cadaveric studies of adults, so accurate anatomical information about the location of the SN in children is required. The aim of this study is to assess the surface anatomy of the SN in children using computed tomography (CT). After excluding studies with pelvic pathology, 75 CT scans were analyzed. Three groups were selected for analysis (0–2, 4–6, and 8–10 years). The position of the SN was measured between the posterior superior iliac spine (PSIS) and the ischial tuberosity (IT) and between the IT and the greater trochanter (GT) using 3‐dimensional images. In the 0–2 age group, the SN crossed the middle third of a line between the PSIS and the IT in 94% and the GT and the IT in 80% of cases. In the 4–6 age group, the SN crossed the middle third of a line between the PSIS and the IT in 96% and the GT and the IT in 87%. In the 8–10 age group, the SN crossed the middle third of a line between the PSIS and the IT in 100% and the GT and the IT in 71%. The findings indicate that the SN in children is most accurately located in the middle third along a line drawn from the PSIS to the IT and the GT to the IT. Our study is the first to provide anatomical CT data from living children to guide interventions in the gluteal region. Clin. Anat. 29:211–216, 2016. © 2015 Wiley Periodicals, Inc.
The anococcygeal ligaments: Cadaveric study with application to our understanding of incontinence in the elderly
Authors: Jin Zhe Wu , Hata Fumitake , Jin Yu , Murakami Gen , Kinugasa Yusuke , Abe Shin‐Ichi
Published: September 2015

The term “anococcygeal ligament (ACL)” has been used to refer to two distinct structures: a superficial fibrous band originating from the myosepta of the external anal sphincter (EAS) and running upwards to the coccyx (the superficial ACL); and a deep fibrous band originating from the periosteum of the coccyx, merging with the thick presacral fascia and attaching to the superior end of the EAS (the deep ACL). In the present work, elastic fiber histology and muscle immunohistochemistry of sagittal sections obtained from 15 donated elderly male cadavers showed that superficial ACL, corresponding to a superficial fascia or skin ligament, was composed of very tortuous elastic fibers, with a fine elastic fiber mesh at their coccygeal attachment; whereas the deep ACL was composed of almost straight collagen and elastic fibers, intermingled with the coccygeal periosteum. Due to the weak insertion into the coccyx and the wavy course, the superficial ACL is unlikely to provide, even in association with contraction of the longitudinal anal muscle, a stable mechanical support to maintain the configuration of the EAS. Being similar to the suspensory ligament of breast, tissue repair of the skin ligament would not have a mechanical role. In contrast, the deep ACL, in association with the thick presacral fascia, likely plays a role in maintaining a suitable positioning of the anorectum to the coccyx. However, their relative lack of smooth muscles compared with rich elastic fibers indicates that both ACLs may become permanently overextended under conditions of long‐term mechanical stress. Clin. Anat. 28:1039–1047, 2015. © 2015 Wiley Periodicals, Inc.
Metformin prevents DMH‐induced colorectal cancer in diabetic rats by reversing the warburg effect
Authors: Jia Yanglei , Ma Zengyi , Liu Xiaofei , Zhou Wenjing , He Shan , Xu Xia , Ren Guijie , Xu Gang , Tian Keli
Published: September 2015

Epidemiologic studies have shown that the treatment of diabetics with metformin reduced the risk of cancer‐related mortality. Here, we investigated the chemopreventive effects of metformin on dimethylhydrazine (DMH)‐induced colorectal carcinogenesis in diabetic SD rats following metformin treatment and the effect on Warburg effect involved in this process. Diabetic rat models were induced with high‐fat feeding in combination with a low dose of Streptozotocin (STZ) and then induce colorectal cancer with a low dose of DMH. The formation of colorectal Aberrant crypt foci (ACF) and the incidence, number and size of the tumor were measured. The proliferation indices of colonic tissues were determined through Proliferating cell nuclear antigen (PCNA) immunostaining. Then detect the expression of PK and IDH in colonic tissues using immunohistochemistry and Western blot. The enzyme activities of HK and PDH in colonic tissues were measured. The growth and expression of PK and IDH and activity of HK and PDH in cell lines LoVo and HT‐29 were measured after metformin treatment. The results showed that metformin treatment significantly inhibited the formation of ACF and tumors. The proliferation index of colonic tissues was significantly decreased following metformin treatment. In addition, metformin inhibited cell growth and decreased the imbalance in the expression of the enzymes involved in glycolysis and the TCA cycle. These findings suggested that metformin might produce a synergistic colon cancer‐preventative effect in diabetic patients through the regulation of the enzymes expression involved in glucose metabolism.
Potentially functional polymorphisms in PAK1 are associated with risk of lung cancer in a Chinese population
Authors: Zheng Mingfeng , Liu Jia , Zhu Meng , Yin Rong , Dai Juncheng , Sun Jie , Shen Wei , Ji Yong , Jin Guangfu , Ma Hongxia , Dong Jing , Xu Lin , Hu Zhibin , Shen Hongbing
Published: September 2015

P21‐activated kinase 1(PAK1) plays an important role in the regulation of cell morphogenesis, motility, mitosis, and angiogenesis and has been implicated with tumorigenesis and tumor progression. We hypothesized that functional polymorphisms in PAK1 gene may modify the risk of lung cancer. We screened four potentially functional polymorphisms (rs2154754, rs3015993, rs7109645, and rs2844337) in PAK1 gene and evaluated the association between the genetic variants and lung cancer risk in a case–control study including 1341 lung cancer cases and 1982 cancer‐free controls in a Chinese population. We found that variant allele of rs2154754 was significantly associated with a decreased risk of lung cancer (OR = 0.85, 95% CI: 0.77–0.95, P = 0.004), meanwhile the result of rs3015993 was marginal (OR = 0.90, 95%CI: 0.81–1.00, P = 0.044). After multiple comparisons, rs2154754 was still significantly associated with the lung cancer risk (P < 0.0125 for Bonferroni correction). We also detected a significant interaction between rs2154754 genotypes and smoking levels on lung cancer risk (P = 0.042). Combined analysis of these two polymorphisms showed a significant allele‐dosage association between the number of protective alleles and reduced risk of lung cancer (Ptrend = 0.008). These findings indicate that genetic variants in PAK1 gene may contribute to susceptibility to lung cancer in the Chinese population.
Using an informed consent in mammography screening: a randomized trial
Authors: Baena‐Cañada José M. , Rosado‐Varela Petra , Expósito‐Álvarez Inmaculada , González‐Guerrero Macarena , Nieto‐Vera Juan , Benítez‐Rodríguez Encarnación
Published: September 2015

Spanish women do not make an informed choice regarding breast cancer screening (BCS). Our aim was to evaluate the impact of receiving information regarding real BCS benefits and risks on knowledge, attitude, decision, feelings, and worries about cancer. Randomized controlled clinical trial of 355 women aged between 45 and 67 years, 177 and 178 assigned to the intervention group (IG) and control group (CG), respectively. After breast screening, women received either Nordic Cochrane Centre information on BCS or standard information. The primary outcome (knowledge) was determined from questionnaire administered at baseline and after a month. Answers were scored from 0 to 10 and scores of 5 or more indicated that women were well informed (had “good knowledge”). Questionnaires regarding attitudes, future screening intentions, and psychosocial impact were also administered. The Chi‐squared and Student's t‐tests were used to compare qualitative and quantitative variables, respectively. Good knowledge was acquired by 32 (18.10%) IG women and 15 (8.40%) CG women (P = 0.008). Mean scores from first to second interview increased from 2.97 (SD 1.16) to 3.43 (SD 1.39) in the CG and from and from 2.96 (SD 1.23) to 3.95 (SD 1.78) (P = 0.002) in the IG. No differences were found in the secondary endpoints. Women receiving information based on the Nordic Cochrane Centre document were better informed. This means of providing information is not very efficacious, nor does it modify attitude, decision, feelings, or worries about cancer.
Ethnic Identity in Emerging Adults in Sub‐Saharan Africa and the USA, and Its Associations with Psychological Well‐Being
Authors: Adams Byron G. , Abubakar Amina , Van de Vijver Fons J. R. , De Bruin Gideon P. , Arasa Josephine , Fomba Emmanuel , Gillath Omri , Hapunda Given , Looh La Joseph , Mazrui Lubna , Murugami Margaret
Published: September 2015

Ethnic identity as a social dimension of identity is argued to be developmentally important for psychological well‐being. However, the relationships between these constructs are mainly examined in Western contexts, amongst dominant–non‐dominant groups. We investigate ethnic identity across the mainstream group of a prototypical Western society (the USA) and several multi‐ethnic sub‐Saharan African countries (Cameroon, Kenya, South Africa, and Zambia), as well as how it relates to psychological well‐being. A total of 1255 university students (61.8% females, Mage = 20.94 years, SD = 2.97) completed a questionnaire with ethnic identity and psychological well‐being measures. Results indicated that ethnic identity was most salient in two different South African ethnocultural samples and least salient in a mainstream US sample. These results suggest that groups that are more exposed to ethnic strain in multicultural societies tend to have more salient ethnic identities. Furthermore, the underlying structure in the ethnic identity psychological well‐being relationship was similar across groups. Copyright © 2015 John Wiley & Sons, Ltd.
Inhibition of Gli/hedgehog signaling in prostate cancer cells by “cancer bush” Sutherlandia frutescens extract
Authors: Lin Hui , Jackson Glenn A. , Lu Yuan , Drenkhahn Sara K. , Brownstein Korey J. , Starkey Nicholas J. , Lamberson William R. , Fritsche Kevin L. , Mossine Valeri V. , Besch‐Williford Cynthia L. , Folk William R. , Zhang Yong , Lubahn Dennis B.
Published: September 2015

Sutherlandia frutescens is a medicinal plant, traditionally used to treat various types of human diseases, including cancer. Previous studies of several botanicals link suppression of prostate cancer growth with inhibition of the Gli/hedgehog (Gli/Hh) signaling pathway. Here we hypothesized the anti‐cancer effect of S. frutescens was linked to its inhibition of the Gli/Hh signaling in prostate cancer. We found a dose‐ and time‐dependent growth inhibition in human prostate cancer cells, PC3 and LNCaP, and mouse prostate cancer cell, TRAMP‐C2, treated with S. frutescens methanol extract (SLE). We also observed a dose‐dependent inhibition of the Gli‐reporter activity in Shh Light II and TRAMP‐C2QGli cells treated with SLE. In addition, SLE can inhibit Gli/Hh signaling by blocking Gli1 and Ptched1 gene expression in the presence of a Gli/Hh signaling agonist (SAG). A diet supplemented with S. frutescens suppressed the formation of poorly differentiated carcinoma in prostates of TRAMP mice. Finally, we found Sutherlandioside D was the most potent compound in the crude extract that could suppress Gli‐reporter in Shh Light II cells. Together, this suggests that the S. frutescens extract may exert anti‐cancer effect by targeting Gli/Hh signaling, and Sutherlandioside D is one of the active compounds.
Atomic Observations of Microporous Materials Highly Unstable under the Electron Beam: The Cases of Ti‐Doped AlPO4‐5 and Zn–MOF‐74
Authors: Mayoral Alvaro , Sanchez‐Sanchez Manuel , Alfayate Almudena , Perez‐Pariente Joaquín , Diaz Isabel
Published: September 2015

This work presents the highest resolution micrographs reported so far of two beam‐sensitive microporous materials: Ti‐doped AlPO4‐5 (TAPO‐5) and the metal–organic framework Zn–MOF‐74. They were registered by means of Cs‐corrected STEM. The high‐resolution images of the TAPO‐5 along the [0 0 1] orientation allows a clear observation of the aluminophosphate‐five (AFI) type framework, and illustrates the atomic distribution of the “T” atoms of the structure. However, no definitive conclusions about Ti substitution mechanism could be afforded because of the high symmetry of the AFI framework. In the case of Zn–MOF‐74, the images were also obtained at 300 kV proving that under certain conditions of beam current this technique can provide invaluable information of an ever‐increasing variety of molecular sieves.
Regioselective C−S Bond Formation between Flavones and Arylsulfonyl Chlorides through the Use of Ammonium Iodide
Authors: Zhao Wannian , Zhou Aihua
Published: September 2015

A novel and regioselective ammonium iodide mediated C−S bond formation protocol involving flavones and sulfonyl chlorides to generate different ArS‐substituted flavone derivatives in high yields was developed. Different from existing metal‐free C−S bond formation protocols with the use of PPh3 or I2 as the catalyst, this method provides an alternative way of constructing C−S bonds through the use of NH4I as a catalyst, which makes it highly valuable for the efficient synthesis of thioether compounds.
Bimetallic Catalysis: Asymmetric Transfer Hydrogenation of Sterically Hindered Ketones Catalyzed by Ruthenium and Potassium
Authors: Slagbrand Tove , Kivijärvi Tove , Adolfsson Hans
Published: September 2015

An efficient protocol for the asymmetric reduction of sterically hindered ketones under transfer‐hydrogenation conditions was developed. The corresponding chiral alcohols were obtained in good to excellent yields with enantiomeric excess values up to 99 %. The role of the cation associated with the base present in the reduction reaction was investigated. In contrast to previous studies on this catalyst system, potassium ions rather than lithium ions significantly enhanced the reaction outcome.
Highly Regioselective Isomerizing Hydroformylation of Long‐Chain Internal Olefins Catalyzed by a Rhodium Bis(Phosphite) Complex
Authors: Pandey Swechchha , Chikkali Samir H.
Published: September 2015

The single‐step synthesis, coordination behavior, and application of a bis(phosphite) ligand in the isomerizing hydroformylation of internal olefins was investigated. Interestingly, high‐pressure NMR spectroscopy investigations revealed unexpected inequivalency of the two phosphorus nuclei, which display bisequatorial coordination of the bis(phosphite) ligand in a trigonal bipyramidal rhodium complex. Upon employment in the isomerizing hydroformylation of the exceedingly challenging plant oil derived substrate methyl oleate, the bis(phosphite) rhodium complex revealed an unprecedented linear selectivity of 75 %.
Solvent‐Controlled C2/C5‐Regiodivergent Alkenylation of Pyrroles
Authors: Su Youla , Gao Shang , Huang Yue , Lin Aijun , Yao Hequan
Published: September 2015

A solvent‐controlled C2/C5‐selective alkenylation of 3,4‐disubstituted pyrroles has been developed. The C3 substituent of pyrroles proved crucial to the regioselectivity. Substrates bearing directing groups at the C3 position exhibited excellent C2‐selectivities in chelation‐assisted CH activation in toluene or 1,4‐dioxane. However, a DMSO/DMF solvent system could override the chelation effect of weak directing groups, such as carboxylate and carbonyl groups, favoring instead regioselectivity towards the more electron‐rich C5 position. A series of 3‐carboxylate and 3‐carbonyl pyrroles were tested and showed moderate to good yields with good regioselectivities for both C2‐ and C5‐alkenylation process.
Dimethylzinc‐Initiated Radical Coupling of β‐Bromostyrenes with Ethers and Amines
Authors: Sølvhøj Amanda , Ahlburg Andreas , Madsen Robert
Published: September 2015

A new coupling reaction has been developed in which β‐bromostyrenes react with ethers and tertiary amines to introduce the styryl group in the α‐position. The transformation is mediated by Me2Zn/O2 with 10 % MnCl2 and is believed to proceed by a radical addition–elimination mechanism. The ether and the amine are employed as solvent and the coupling takes place through the most stable α radical for unsymmetrical substrates. The products are obtained in moderate to good yields as the pure E isomers. The coupling can be achieved with a range of smaller cyclic and acyclic ethers/amines as well as various substituted β‐bromostyrenes.