bluuebunny/crossref_metadata_2025 huggingface dataset:
Effects of the inhibition of intestinal P‐glycoprotein on aliskiren pharmacokinetics in cynomolgus monkeys
Authors: Tsukimoto Mikiko , Ohashi Rikiya , Torimoto Nao , Togo Yoko , Suzuki Takashi , Maeda Toshio , Kagawa Yoshiyuki
Published: September 2014

Aliskiren is a substrate for P‐glycoprotein (P‐gp) and is metabolized via cytochrome P450 3A4 (CYP3A4). The aim of the present study was to assess whether P‐gp influenced the pharmacokinetics of aliskiren and also if drug–drug interactions (DDIs) mediated through P‐gp could be reproduced in cynomolgus monkeys. The study investigated the pharmacokinetics of aliskiren in mdr1a/1b gene‐deficient (P‐gp KO) and wild‐type (WT) mice. The area under the plasma concentration–time curve (AUC) following the oral administration of aliskiren was 6.9‐fold higher in P‐gp KO mice than in WT mice, while no significant differences were observed in the AUC or total plasma clearance following the intravenous administration of aliskiren to P‐gp KO mice. Then the pharmacokinetics of aliskiren were evaluated and DDIs between aliskiren and P‐gp inhibitors, such as cyclosporin A (CsA) and zosuquidar, examined in cynomolgus monkeys. The AUC for aliskiren were 8.3‐ and 42.1‐fold higher after the oral administration of aliskiren with the concomitant oral administration of zosuquidar and CsA at doses of 10 and 30 mg/kg, respectively. In contrast, the AUC after the intravenous and oral administration of aliskiren was not significantly affected by the oral administration of zosuquidar or intravenous administration of CsA, respectively. These results indicated that P‐gp strictly limited the intestinal absorption of aliskiren in mice and monkeys, and also that the effects of intestinal P‐gp inhibition by CsA or zosuquidar on the pharmacokinetics of aliskiren were sensitively reproduced in monkeys. In conclusion, aliskiren can be used as a sensitive substrate to evaluate intestinal P‐gp inhibition in monkeys. Copyright © 2014 John Wiley & Sons, Ltd.
Development and validation of a high‐performance liquid chromatography–tandem mass spectrometric method for simultaneous determination of bupropion, quetiapine and escitalopram in human plasma
Authors: Park Semin , Park Chul‐Soo , Lee Sung Joong , Cha Boseok , Cho Young Ah , Song Yi , Yu Eun Ae , Kim Gon‐Sup , Jin Jong Sung , Abd El‐Aty A. M. , El‐Banna H. A. , Hacımüftüoğlu Ahmet , Shim Jae‐Han , Shin Sung Chul
Published: September 2014

In the present study, an effective high performance liquid chromatography–tandem mass spectrometric (HPLC/MS/MS) method was developed and validated to simultaneously determine bupropion (BUP), quetiapine (QUE) and escitalopram (ESC) in human plasma using carbidopa as the internal standard. Chromatographic separation was achieved on a Waters Sun Fire C18 column using reversed‐phase chromatography. The MS/MS experiment was performed in positive ion multiple reaction monitoring mode to produce product ions of m/z 240.3 → 184.2 for BUP, 384.2 → 253.1 for QUE, 325.3 → 109.3 for ESC and 227.2 → 181.2 for the internal standard. The method showed good linearity (R2 ≥ 0.997), precision (relative standard deviation ≤7.5%), satisfactory intra‐ and interday accuracy (88.4–113.0%) and acceptable extraction recovery (87.2–115.0%), matrix effect (84.5.5−108.7%) and stability (92.3−103.5%). The method was successfully applied to determine the concentrations of BUP, QUE and ESC in human plasma samples. Copyright © 2014 John Wiley & Sons, Ltd.
Highly Enantioselective Reactions of Cyclohexanone and β,γ‐Unsaturated α‐Keto Ester: The Tuning of Chemo‐selectivities by Secondary and Primary Amine Catalysts
Authors: Wei Jianwei , Guo Wengang , Zhou Xin , Du Xin , Liu Yan , Li Can
Published: September 2014

A series of of amphiphilic imidazole based secondary and primary amine catalysts were synthesized and shown to be very effective with an acid cocatalyst for the asymmetric reaction of cyclohexanone to β,γ‐unsaturated α‐keto ester. Interestingly, primary and secondary amine catalysts show different regio‐selectivities in this reaction. Under the catalysis of secondary amine 1, excellent enantioselectivities were observed for the products from direct 3+3 reactions of cyclohexanone with β,γ‐unsaturated α‐keto esters using water as the solvent. Moreover, the same reactants catalyzed by the primary amines 2 lead to the aldol reactions, affording the corresponding products with high diastereoselectivities and up to 97% ee. Theoretical studies on the transition states by using a model in gas phase revealed that steric effect plays an important role on different chemo‐selective induction between the secondary amine 1 and primary amine 2.
Recent Research Developments of Perovskite Solar Cells
Authors: Ma Yingzhuang , Wang Shufeng , Zheng Lingling , Lu Zelin , Zhang Danfei , Bian Zuqiang , Huang Chunhui , Xiao Lixin
Published: September 2014

For the first time in 2009, the inorganic‐organic hybrid perovskite materials were applied in liquid dye‐sensitized solar cells. In 2013, the power conversion efficiency successfully reached 15%, followed by great amount of research papers bursting out. Till August 2014, the highest efficiency is certified to 17.9%, and the reported efficiency is even up to 19.3%. They quickly go beyond dye‐sensitized solar cells and organic solar cells. It is expected the perovskite has its efficiency same to the single‐crystal silicon cells. The "game changer" of solar cells is coming. The perovskite solar cells are cheap and easily to be made, which will benefit both science and industry. This review summarized recent development of both perovskite materials and solar cell devices, not only including new material developments of perovskite compositions, structures, and fabrication methods, but also focusing on device structures, charge transfer mechanism and stability properties of perovskite solar cells. Their perspective is also estimated.
A Highly Enantioselective Mannich‐Type Reaction of Glycine Schiff Base Catalyzed by a Cinchoninium Salt
Authors: Tao Zhonglin , Adele Arafate , Wu Xiang , Gong Liuzhu
Published: September 2014

A chiral phase‐transfer catalyst, derived from the combination of cinchona alkaloid backbone and BINOL skeleton, enabled a Mannich reaction of glycine Schiff base with N‐Boc‐imines to generate α,β‐diamino acid derivatives in excellent yields (up to 99%) and with high diastereo‐ and enantioselectivities (up to>20:1 dr, 96% ee).
Extraction and Separation of Rare Earths from Nitrate Medium by Mixtures of p‐Phosphorylated Calixarene and 1‐Phenyl‐3‐methyl‐4‐benzoyl‐pyrazalone‐5
Authors: Lu Youcai , Li Yanling , Bi Yanfeng , Liao Wuping
Published: September 2014

The gadolinium extraction by the mixtures of p‐phosphorylated calixarene and 1‐phenyl‐3‐methyl‐4‐benzoyl‐ pyrazalone‐5 from nitrate medium was studied, which indicated an obvious synergistic effect between these two extractants. The extractants exhibit no interaction with each other before the metal extraction. Gadolinium(III) was extracted by the species of Ln(PMBP)2L2(NO3) instead of Ln(PMBP)3·(HPMBP) or Ln(NO3)3·2L which are extracted by HPMBP or L alone. Thermodynamic functions (ΔG, ΔH, ΔS) were calculated. The extraction of other rare earths was also investigated and compared. Possible single rare earth separation was discussed.
Synthesis and Structure of Azacalix[2]pyrimidine[2]triazines and Their Self‐assembly in the Solid State
Authors: Wang Lixia , Wang Dexian , Wang Meixiang
Published: September 2014

A number of azacalix[2]pyrimidine[2]triazines were synthesized in moderate to good yields from both a step‐wise fragment coupling approach and a one‐pot reaction strategy starting from 4,6‐diaminopyrimidines and cyanuric chloride. Nucleophilic aromatic substitution reaction of resulting dichloro‐substituted azacalix[2]pyrimidine[2]triazines with NH4Cl led to the formation of NH2‐bearing azacalix[2]pyrimidine[2]triazine analogs. Azacalix[2]pyrimidine[2]triazines adopted symmetric 1,3‐alternate conformations in solution while twisted 1,3‐alternate conformations were observed in the solid state. In the presence of different additives during the growth of single crystals, azacalix[2]pyrimidine[2]triazines containing amino (‐NH2) groups gave varied self‐assembled structures due to the formation of different intermolecular hydrogen bond motifs.
Direct analysis in real time ‐ high resolution mass spectrometry (DART‐HRMS): a high throughput strategy for identification and quantification of anabolic steroid esters
Authors: Doué Mickael , Dervilly‐Pinel Gaud , Pouponneau Karinne , Monteau Fabrice , Le Bizec Bruno
Published: September 2014

High throughput screening is essential for doping, forensic, and food safety laboratories. While hyphenated chromatography‐mass spectrometry (MS) remains the approach of choice, recent ambient MS techniques, such as direct analysis in real time (DART), offer more rapid and more versatile strategies and thus gain in popularity. In this study, the potential of DART hyphenated with Orbitrap‐MS for fast identification and quantification of 21 anabolic steroid esters has been evaluated. Direct analysis in high resolution scan mode allowed steroid esters screening by accurate mass measurement (Resolution = 60 000 and mass error < 3 ppm). Steroid esters identification was further supported by collision‐induced dissociation (CID) experiments through the generation of two additional ions. Moreover, the use of labelled internal standards allowed quantitative data to be recovered based on isotopic dilution approach. Linearity (R2 > 0.99), dynamic range (from 1 to 1000 ng mL‐1), bias (<10%), sensitivity (1 ng mL‐1), repeatability and reproducibility (RSD < 20%) were evaluated as similar to those obtained with hyphenated chromatography‐mass spectrometry techniques. This innovative high throughput approach was successfully applied for the characterization of oily commercial preparations, and thus fits the needs of the competent authorities in the fight against forbidden or counterfeited substances. Copyright © 2014 John Wiley & Sons, Ltd.
Nanomolar Detection of AgI Ions in Aqueous Medium by Using Naphthalimide‐Based Imine‐Linked Fluorescent Organic Nanoparticles – Application in Environmental Samples
Authors: Sharma Hemant , Bhardwaj Vimal K. , Singh Narinder
Published: September 2014

The synthesis of fluorescent organic nanoparticles (FONPs) with an imine‐linked 1,8‐naphthalimide‐based dipodal chemosensor for AgI is described. The FONPs were prepared by using a re‐precipitation method, and they were successfully applied for the nanomolar detection of AgI ions in aqueous media. More specifically, the chemosensor was utilized for the selective and ratiometric sensing of AgI in a concentration range 15–65 nM with a 15.5 nM detection limit. The work was extended to monitor the AgI concentration in samples of environmental importance.
Conformational Changes and Phase Behaviour in the Protic Ionic Liquid 1‐Ethylimidazolium Bis(trifluoromethylsulfonyl)imide in the Bulk and Nano‐Confined State
Authors: Martinelli Anna
Published: September 2014

We report a Raman spectroscopic study of conformational changes to the TFSI anion in the protic ionic liquid 1‐ethylimidazolium bis(trifluoromethylsulfonyl)imide, [C2HIm][TFSI], in its bulk and nano‐confined state. We show that the TFSI anion is found as a mixture of cis and trans conformations at room temperature and in the liquid state, whereas this equilibrium shifts towards an increased cis population upon confinement in silica. In addition, the strong Raman signature at ca. 743 cm–1 assigned to TFSI is found at systematically higher frequencies in the confined state. These findings suggest a higher packing efficiency, or density, for the ionic liquid at the silica surface. Moreover, the enthalpy of conformational change is only marginally affected upon confinement (4.32 ± 1.30 vs. 5.27 ± 1.09 kJ mol–1), and the entropy is found to be a few J mol–1 K–1 higher in the confined state. Raman spectra recorded upon heating from very low temperatures show that the phase behaviour of the ionic liquid is also affected by confinement, with crystallization upon cooling being frustrated in favour of an amorphous glassy phase. To summarize, our results indicate that the interaction established in the ionogels between the silica surface and the protic ionic liquid [C2HIm][TFSI] favours local structural disorder, in conceptual agreement with the slightly higher experimentally estimated entropy.
Solution Speciation of the Dinuclear ZrIV‐Substituted Keggin Polyoxometalate [{α‐PW11O39Zr(μ‐OH)(H2O)}2]8– and Its Reactivity towards DNA‐Model Phosphodiester Hydrolysis
Authors: Luong Thi Kim Nga , Absillis Gregory , Shestakova Pavletta , Parac‐Vogt Tatjana N.
Published: September 2014

The solution speciation of the ZrIV‐substituted Keggin polyoxometalate (Et2NH2)8[{α‐PW11O39Zr(μ‐OH)(H2O)}2]·7H2O (ZrK 2:2) was fully determined under different pD, temperature, and concentration conditions. Subsequently, phosphodiester bond hydrolysis of the DNA model substrate bis(4‐nitrophenyl) phosphate (BNPP) promoted by ZrK 2:2 was studied in detail. In the presence of ZrK 2:2, phosphoester bond hydrolysis in BNPP proceeded with a rate constant of kobs = (4.75 ± 0.25) × 10–6 s–1 at pD 6.4 and 60 °C, which represented a 320‐fold rate enhancement relative to the spontaneous hydrolysis of BNPP. The pD dependence of kobs exhibits a bell‐shaped profile, with the fastest rate observed at pD 6.4. An activation energy (Ea) of 60.16 kJ mol–1, enthalpy of activation (ΔH#) of 57.44 kJ mol–1, entropy of activation (ΔS#) of –173.16 J mol–1 K–1, and Gibbs activation energy (ΔG#) of 111.12 kJ mol–1 at 37 °C were calculated. The influence of the concentration of ZrK 2:2 on the reaction rate constant was studied in the concentration range 0.5 to 6.0 mM. The results showed that ZrK 2:2 is able to hydrolyze an excess amount of BNPP, thus demonstrating that ZrK 2:2 acts as a catalyst for phospho(di)ester bond hydrolysis. In addition, the influence of ionic strength and the inhibitor diphenyl phosphate on BNPP hydrolysis were examined.
Transition‐Metal‐Catalyzed Selective Cyclization Strategy to 2‐Substituted Benzofurans and Indoles en Route to the Oxa Analogues of Isocryptolepine
Authors: Indu Satrajit , Subramanian Parthasarathi , Kaliappan Krishna P.
Published: September 2014

A selective catalytic route to benzofurans and indoles from similar starting materials has been developed. A two‐step protocol that involves a transition‐metal‐catalyzed domino Sonogashira coupling between 2‐ethynylanilines and 2‐iodophenols followed by selective O‐ and N‐cyclizations afforded 2‐(benzofuran‐2‐yl)anilines and 2‐(indol‐2‐yl)phenols, respectively. The 2‐(benzofuran‐2‐yl)anilines were further utilized in a Lewis acid catalyzed Pictet–Spengler‐type cyclization to prepare the oxa analogues of isocryptolepine.
A Single Nucleotide Polymorphism in Osteonectin 3′ Untranslated Region Regulates Bone Volume and Is Targeted by miR-433
Authors: Dole Neha S , Kapinas Kristina , Kessler Catherine B , Yee Siu-Pok , Adams Douglas J , Pereira Renata C , Delany Anne M
Published: September 2014

Osteonectin/SPARC is one of the most abundant noncollagenous extracellular matrix proteins in bone, regulating collagen fiber assembly and promoting osteoblast differentiation. Osteonectin-null and haploinsufficient mice have low-turnover osteopenia, indicating that osteonectin contributes to normal bone formation. In male idiopathic osteoporosis patients, osteonectin 3′ untranslated region (UTR) single-nucleotide polymorphism (SNP) haplotypes that differed only at SNP1599 (rs1054204) were previously associated with bone mass. Haplotype A (containing SNP1599G) was more frequent in severely affected patients, whereas haplotype B (containing SNP1599C) was more frequent in less affected patients and healthy controls. We hypothesized that SNP1599 contributes to variability in bone mass by modulating osteonectin levels. Osteonectin 3′ UTR reporter constructs demonstrated that haplotype A has a repressive effect on gene expression compared with B. We found that SNP1599G contributed to an miR-433 binding site, and miR-433 inhibitor relieved repression of the haplotype A, but not B, 3′ UTR reporter construct. We tested our hypothesis in vivo, using a knock-in approach to replace the mouse osteonectin 3′ UTR with human haplotype A or B 3′ UTR. Compared with haplotype A mice, bone osteonectin levels were higher in haplotype B mice. B mice displayed higher bone formation rate and gained more trabecular bone with age. When parathyroid hormone was administered intermittently, haplotype B mice gained more cortical bone area than A mice. Cultured marrow stromal cells from B mice deposited more mineralized matrix and had higher osteocalcin mRNA compared with A mice, demonstrating a cell-autonomous effect on differentiation. Altogether, SNP1599 differentially regulates osteonectin expression and contributes to variability in bone mass, by a mechanism that may involve differential targeting by miR-433. This work validates the findings of the previous candidate gene study, and it assigns a physiological function to a common osteonectin allele, providing support for its role in the complex trait of skeletal phenotype. © 2014 American Society for Bone and Mineral Research.
An efficient liquid chromatography–tandem mass spectrometry method for the quantification of borrelidin from Streptomyces rochei (ATCC 10739)
Authors: Magotra Ankita , Nalli Yedukondalu , Kushwaha Manoj , Raina Chand , Gupta Ajai Prakash , Ali Asif , Vishwakarma Ram A , Chaubey Asha
Published: September 2014

BACKGROUND

Streptomyces rochei (ATCC 10739) has been reported for the production of a highly biologically active polyketide macrolide, i.e. borrelidin. The main objective of the present study was to develop an efficient fermentation, detection and quantification method for the production of borrelidin.

RESULTS

Here, we report a rapid, sensitive and precise liquid chromatography–electrospray ionisation–tandem mass spectrometry (LC‐ESI‐MS/MS) method for the quantification and validation of borrelidin from S. rochei in the presence of other possible constituents in the fermentation broth. The method was validated as per guidelines proposed at the International Conference on Harmonization.

CONCLUSIONS

A chromolith column and a multiple reaction monitoring LC‐ESI‐MS/MS method has been used for the first time for the separation and quantification of the borrelidin from the crude extract obtained from fermented broth of S. rochei. © 2014 Society of Chemical Industry
Prevalence of a Positive Screen for PTSD Among OEF/OIF and OEF/OIF‐Era Veterans in a Large Population‐Based Cohort
Authors: Dursa Erin K. , Reinhard Matthew J. , Barth Shannon K. , Schneiderman Aaron I.
Published: September 2014

Multiple studies have reported the prevalence of posttraumatic stress disorder (PTSD) in Operation Enduring Freedom and Operation Iraqi Freedom (OEF/OIF) veterans; however, these studies have been limited to populations who use the Department of Veterans Affairs (VA) for health care, specialty clinic populations, or veterans who deployed. The 3 aims of this study were to report weighted prevalence estimates of a positive screen for PTSD among OEF/OIF and nondeployed veterans, demographic subgroups, and VA health care system users and nonusers. The study analyzed data from the National Health Study for a New Generation of U.S. Veterans, a large population‐based cohort of OEF/OIF and OEF/OIF‐era veterans. The overall weighted prevalence of a positive screen for PTSD in the study population was 13.5%: 15.8% among OEF/OIF veterans and 10.9% in nondeployed veterans. Among OEF/OIF veterans, there was increased risk of a positive screen for PTSD among VA health care users (OR = 2.71), African Americans (OR = 1.61), those who served in the Army (OR = 2.67), and those on active duty (OR = 1.69). The same trend with decreased magnitude was observed in nondeployed veterans. PTSD is a significant public health problem in OEF/OIF‐era veterans, and should not be considered an outcome solely related to deployment.
Dispersion and dynamic property in SBR/silica composites: Revisiting the utilization of benzyl chloride silane
Authors: Feng Wenjiang , Zhang Chengfeng , Guo Baochun
Published: September 2014

Separating the effects of interfacial interaction on rubber performance from those of the dispersion state remains challenging, as an improvement in both properties is often observed upon addition of an interfacial modifier. In this work, 4‐(chloromethyl) phenyltrimethoxysilane, a silane‐bearing benzyl chloride, is used as the model substance to modify a SBR/silica composite. Although an improvement in dispersion, as indicated by morphological observations and rheological measurements, is achieved, the dynamic property indicated by the mechanical loss and heat build‐up, deteriorates. Such outcomes are attributed to the inferior interfacial interaction and decreased crosslink density. As a comparison, the counterpart modified by bis(triethoxysilylpropyl) tetrasulfide possesses a superior dynamic property which is attributed to the simultaneous improvements in the dispersion and interfacial interaction. This work provides new insights for the design of high performance rubbers used under dynamic circumstances. POLYM. COMPOS., 37:446–454, 2016. © 2014 Society of Plastics Engineers
Highly thermal conductivity silicon nitride/carbon fibres/bismaleimide composites
Authors: Xie Chao , Han Ying , Zhao Ruoxi
Published: September 2014

Hybrid fillers of silicon nitride/carbon fibres (Si3N4/CFs) are performed to improve the thermal conductivities, mechanical and thermal resistance properties of the bismaleimide (BMI) composites. The thermally conductive coefficient of the Si3N4/CFs/BMI composites is improved to 1.68 W/mK with 50 wt% modified Si3N4 fillers. The flexural strength and interlaminar shear strength of the composites are optimal with 10 wt% modified Si3N4 fillers. The thermal resistance properties of the Si3N4/CFs/BMI composites are also improved with the addition of Si3N4 fillers. Surface modification of Si3N4 fillers exhibits positive effects on the thermal conductivities and mechanical properties of the Si3N4/CFs/BMI composites. POLYM. COMPOS., 37:468–471, 2016. © 2014 Society of Plastics Engineers
Effect of microencapsulated ammonium polyphosphate on flame retardancy and mechanical properties of wood flour/polypropylene composites
Authors: Wang Wen , Zhang Shifeng , Wang Fei , Yan Yutao , Li Jianzhang , Zhang Wei
Published: September 2014

Microencapsulated ammonium polyphosphate (MCAPP) was prepared by using melamine–formaldehyde (MF) resin via polymerization in situ. The product was characterized by Fourier transform infrared spectroscopy, X‐ray photoelectron spectroscopy, energy dispersive spectroscopy, water solubility tests, water contact angle, and thermogravimetric analysis. The tests indicate that ammonium phosphate (APP) was successfully coated by the MF resin, and MCAPP with lower water solubility and higher water resistance outperformed APP. After modification by MCAPP, the flammability of wood–plastic composites (WPCs) was investigated by limiting oxygen index (LOI) and cone calorimetry. The results showed that MCAPP/WPC had higher LOI value, lower heat release rate, and more char residual at the end of cone calorimetry than APP/WPC, indicating that the WPC used MCAPP as flame retardant performed better flame retardancy than the WPC mixed with unmodified APP. Moreover, all measured mechanical properties of MCAPP/WPC were distinctly better than APP/WPC. POLYM. COMPOS., 37:666–673, 2016. © 2014 Society of Plastics Engineers
Processing of plant fiber composites by liquid molding techniques: An overview
Authors: Francucci Gaston , Rodriguez Exequiel
Published: September 2014

Lately, researchers around the world have developed effective chemical and physical treatments on plant fibers to improve their compatibility with polymeric matrices. In addition, the need of high performance fabrics produced from plant fibers has been addressed by many manufacturers of textile reinforcements. These facts have increased the use of natural fibers in the composite industry. Liquid composite molding (LCM) techniques are suitable for mass production of high‐quality composite parts. Basically, the reinforcement is compressed inside a mold and a thermosetting resin is injected to impregnate the fibers and fill the empty spaces in the mold. After the resin cures, the composite part is demolded. However, the processing of plant fiber–reinforced composites by the traditional techniques is not trivial, because the structure of plant fibers is more complex than that of synthetic fibers and due to their chemical composition rich in cellulose and hemicellulose, they are highly hydrophilic. This work presents a review on the main issues that arise during the processing of plant fiber reinforced composites by traditional liquid composite molding techniques. POLYM. COMPOS., 37:718–733, 2016. © 2014 Society of Plastics Engineers
Development of shape memory polyurethane based on polyethylene glycol and liquefied 4,4′‐diphenylmethane diisocyanate using a bulk method for biomedical applications
Authors: Mo Funian , Zhou Faxing , Chen Shaojun , Yang Haipeng , Ge Zaochuan , Chen Shiguo
Published: September 2014

In this study, a series of shape memory polyurethanes (SMPUs) were synthesized successfully by the bulk polymerization method from liquefied 4,4′‐diphenylmethane diisocyanate (L‐MDI), 1,4‐butanediol (BDO) and polyethylene glycol (PEG). The influence of the hard segment content (HSC) on the structure, morphology, properties and biocompatibility of PEG based SMPUs (PEGSMPUs) was carefully investigated. The results show that a microphase separation structure composed of a semicrystalline soft phase and an amorphous hard phase is formed in the PEG6000/L‐MDI/BDO system. Crystallization of the PEG soft segment is influenced by the hard segments. The PEG semicrystalline soft phase serves as a reversible phase while the L‐MDI−BDO hard segment acts as physical netpoints. Finally, a cyclic tensile test shows that all PEGSMPUs have good shape recovery (e.g. above 80%), whereas good shape fixity can only be achieved when the HSC is less than 35 wt%. The Cell Counting Kit 8 assay also demonstrates that only PEGSMPUs containing less than 40 wt% HSC have low cytotoxicity. It is thus concluded that PEGSMPUs bearing both good shape memory effects and good biocompatibility can be used as shape memory materials for biomedical applications when the HSC is less than 35 wt%. © 2014 Society of Chemical Industry
Nanoparticle Polydispersity Can Strongly Affect In Vitro Dose
Authors: Rodriguez‐Lorenzo Laura , Rothen‐Rutishauser Barbara , Petri‐Fink Alke , Balog Sandor
Published: September 2014

When nanomaterials meet the biological world, the cellular interaction of nanoparticles is routinely assessed in in vitro systems. Establishing dose–response relationships requires that the dose of nanoparticles delivered to the cell is accurate and precise. Nanoparticles as such or coated with high molecular‐weight compounds are rarely uniform and the influence of heterogeneity, including polydispersity both in size and mass density, on the delivered dose is never studied before. Furthermore, a probabilistic term describing particle adherence to cells is introduced and the importance is discussed. By tracing the movement of discrete particles via modeling, it is found that the influence of heterogeneity cannot be neglected when the average particle size promotes settling over diffusion. However, the influence of polydispersity on the delivered cellular dose is less critical for particulate systems whose mean size promotes diffusion. The influence of a non‐instantaneous particle association to the cell is negligible for particles whose motion is dominated by settling, but it is relevant for small particles whose motion is governed by diffusion.
Immunoreactive proteins of Saccharopolyspora rectivirgula for farmer's lung serodiagnosis
Authors: Barrera Coralie , Millon Laurence , Rognon Bénédicte , Quadroni Manfredo , Roussel Sandrine , Dalphin Jean‐Charles , Court‐Fortune Isabelle , Caillaud Denis , Jouneau Stephane , Fellrath Jean‐Marc , Zaugg Christophe , Reboux Gabriel , Monod Michel
Published: September 2014

Purpose

Saccharopolyspora rectivirgula is the principal cause of farmer's lung disease (FLD). Serodiagnosis is based on immunoprecipitation techniques or enzyme immunoassays with homemade crude antigens and is not standardized. We aimed to produce specific recombinant antigens for the development of a standardized ELISA.

Experimental design

We recruited 41 patients and 43 healthy exposed controls from five university hospital pneumology departments in France and Switzerland. S. rectivirgula proteins were extracted, separated by 2D electrophoresis, and subjected to Western blotting, with sera from FLD patients or controls. FLD‐specific proteins were identified by MS and were produced as recombinant antigens. The diagnostic performance of ELISA tests using the recombinant antigens was assessed with all the sera from FLD patients and controls.

Results

We identified 25 FLD‐specific proteins, some of which play important roles in transport, nutrition, or virulence. We produced 17 of these proteins as recombinant antigens and assessed their suitability for inclusion in the ELISA test. A combination of three of these proteins (SR1FA, SR17, and SR22) proved remarkably effective at discriminating between patients and controls, with a sensitivity of 83% and a specificity of 77%.

Conclusions and clinical relevance

The recombinant antigens produced in this study constitute a major step toward the improvement of diagnostic performance and the standardization of FLD serodiagnosis.
Matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry of small volatile molecules using a parylene‐matrix chip
Authors: Kim Jo‐Il , Park Jong‐Min , Noh Joo‐Yoon , Kang Min‐Jung , Pyun Jae‐Chul
Published: September 2014

RATIONALE

In matrix‐assisted laser desorption/ionization time‐of‐flight (MALDI‐TOF) mass spectrometry (MS), volatile small molecules have been nearly impossible to analyze because (1) such molecules evaporate under drying and vacuum conditions and (2) the organic matrix creates matrix peaks in the low mass‐to‐charge (m/z) range (m/z <500). In this work, the analysis of volatile small molecules using MALDI‐TOFMS was realized using (1) a parylene‐matrix chip to eliminate the matrix peaks of the organic matrix and (2) graphene for the effective adsorption of the small volatile molecules.

METHODS

The parylene‐matrix chip was produced by deposition of a partially porous parylene‐N thin film on a dried organic matrix array. The sample solution of volatile small molecules was mixed with the graphene and then placed on the parylene‐matrix chip for MALDI‐TOFMS. Analogs of chemical agents called dimethyl methyl phosphonate (DMMP) and 2‐chloroethylethylsulfide (CEES) were used as model compounds for the small volatile molecules, and the sensing parameters were estimated, such as the limit of detection (LOD) and the detection range.

RESULTS

MALDI‐TOFMS based on the parylene‐matrix chip and graphene as the adsorbent could achieve a LOD of approximately 1 ppb in the detection range of 1 ppm – 1 ppb for the highly volatile DMMP and CEES.

CONCLUSIONS

The parylene‐matrix chip with graphene can be applied for the detection of volatile small molecule analytes in the m/z ratio range of small molecules (m/z <500) using graphene as an effective adsorbent. Copyright © 2014 John Wiley & Sons, Ltd.
Species‐related difference between limonin and obacunone among five liver microsomes and zebrafish using ultra‐high‐performance liquid chromatography coupled with a LTQ‐Orbitrap mass spectrometer
Authors: Ren Wei , Li Yan , Zuo Ran , Wang Hong‐Jie , Si Nan , Zhao Hai‐Yu , Han Ling‐Yu , Yang Jian , Bian Bao‐Lin
Published: September 2014

RATIONALE

Limonin and obacunone are two major limonoids distributed in the Rutaceae and Meliaceae families. Their defined anti‐tumor activity is closely connected with the furan ring and the multi‐carbonyls in their structures. In vivo and in vitro biotransformations may influence their structures and further change their effects. The metabolic profiles of limonin and obacunone have not been studied previously. In order to clarify their in vivo and in vitro metabolism, a comparative investigation of their metabolic pathways in five different species of liver microsomes and zebrafish was carried out.

METHODS

In the present study, ultra‐high‐performance liquid chromatography coupled with high‐resolution mass spectrometry (UHPLC/HRMS) and related electrospray ionization (ESI) tandem mass spectrometric (MS/MS) dissociation of limonin and obacunone were applied for the analysis. Each metabolite was identified by its accurate mass data. Human liver microsomes (HLMs), monkey liver microsomes (MLMs), dog liver microsomes (DLMs), rat liver microsomes (RLMs), mice liver microsomes (XLMs) and zebrafish were included in the biotransformations.

RESULTS

One phase I metabolite of limonin (M1‐1) and two phase I metabolites of obacunone (M2‐1, M2‐2) were identified by accurate mass measurement and MS/MS fragmentation behaviors. A reduction reaction was regarded as the major metabolic pathway of limonoids in liver microsomes. The reduction reaction site of M1‐1 and M2‐1 was at the C‐16 carbonyl, while for M2‐2 it was at C‐7. M1‐1 was the major and unique metabolite of limonin and the metabolic rate of limonin varied from 11.5% to 17.8% in liver microsomes (LMs). M2‐2 was the main metabolite of obacunone in LMs and zebrafish. M1‐1 and M2‐1were only detected in LMs while M2‐2 was found in both LMs and zebrafish incubation systems. The metabolic rate of obacunone varied from 2.5% to 19.1% and the content of M2‐2 was about five times higher than that of M2‐1.

CONCLUSIONS

The ESI‐HR‐MS/MS fragmentation behaviors of limonin and obacunone were investigated for the first time. A qualitative and semi‐quantitative method was developed for the in vivo and in vitro metabolic analysis of limonin and obacunone. The results demonstrated that the metabolic processes of limonin and obacunone were different between LMs and zebrafish. However, both of these two parent compounds presented similar metabolic processes in five species of LMs. This was caused by the metabolic difference between mammals and fish or because limonin probably cannot be absorbed in zebrafish. Copyright © 2014 John Wiley & Sons, Ltd.
Two‐stage adaptive cutoff design for building and validating a prognostic biomarker signature
Authors: Polley Mei‐Yin C. , Polley Eric C. , Huang Erich P. , Freidlin Boris , Simon Richard
Published: September 2014

Cancer biomarkers are frequently evaluated using archived specimens collected from previously conducted therapeutic trials. Routine collection and banking of high quality specimens is an expensive and time‐consuming process. Therefore, care should be taken to preserve these precious resources. Here, we propose a novel two‐stage adaptive cutoff design that affords the possibility to stop the biomarker study early if an evaluation of the model performance is unsatisfactory at an early stage, thereby allowing one to preserve the remaining specimens for future research. In addition, our design integrates important elements necessary to meet statistical rigor and practical demands for developing and validating a prognostic biomarker signature, including maintaining strict separation between the datasets used to build and evaluate the model and producing a locked‐down signature to facilitate future validation. We conduct simulation studies to evaluate the operating characteristics of the proposed design. We show that under the null hypothesis when the model performance is deemed undesirable, the proposed design maintains type I error at the nominal level, has high probabilities of terminating the study early, and results in substantial savings in specimens. Under the alternative hypothesis, power is generally high when the total sample size and the targeted degree of improvement in prediction accuracy are reasonably large. We illustrate the use of the procedure with a dataset in patients with diffuse large‐B‐cell lymphoma. The practical aspects of the proposed designs are discussed. Published 2014. This article is a U.S. Government work and is in the public domain in the USA.
The Effect of Jet Angle and Initial Plate Temperature during Jet Impingement Heat Transfer Process in Ultra‐Fast Cooling Technology
Authors: Xie Qian , Wang Bingxing , Wang Zhaodong , Wang Guodong
Published: September 2014

Thermo‐mechanical control process (TMCP) technology is widely used for processing steels, where an important aspect is controlled cooling, Recently, the ultra‐fast cooling (UFC) method, which has high flow speed, adjustable inclination angle, and stagger arranged nozzles is gradually replacing the traditional cooling practice. This paper focuses on the flow field and heat transfer mechanism in high temperature plates during the cooling process. Next, the effect of different initial temperatures (600 and 750°C) and inclination angles (0°, 30°, and 60°) were studied. The surface temperature and heat flux were calculated using finite difference method. The data suggests that with the initial temperature increasing from 600 to 700°C, and the inclination angle increasing from 0° to 60°, the maximum heat flux and its corresponding temperature increases in the major part of the cooling region. Given that the experimental conditions were similar to the industry, the new findings are expected to effectively guide the development of UFC in the near future.
Calculation of Solidification‐Related Thermophysical Properties of Steels Based on Fe‐C Pseudobinary Phase Diagram
Authors: Xie Zhi , Yang Jian
Published: September 2014

In order to be accurate for the reliability of real‐time heat transfer model for online control of continuous casting process of steel and also to be easily embeddable, special algorithms have been developed for calculation of solidification‐related thermophysical properties of carbon and low alloy steels. These thermophysical properties include density, thermal conductivity, and enthalpy‐related data, i.e., enthalpy and specific heat. In the algorithms, Fe‐C pseudobinary phase diagram, which is similar to Fe‐C phase diagram but is influenced by contents of steel alloying elements other than carbon, has been introduced as the basis to solve the phase fractions of steel as functions of temperature. Associated with the solved phase fractions, the thermophysical properties can be calculated from 1600 to 0 °C by combining corresponding data of different phases, which are fitted as polynomial functions of temperature and steel composition. Finally, the algorithms have been tested as the calculated results showed good agreement with the calculated data by software JMatPro and also the measured data.
C–H Bond Activation of Benzene, Toluene, 3,3‐Dimethyl‐1‐butene and Methane by Silica‐Supported TaV Imido Amido Surface Complex
Authors: Jia Hong‐Peng , Kaya Yasemin , Chow Catherine , Taoufik Mostafa , Quadrelli Elsje Alessandra
Published: September 2014

The well‐defined silica‐supported tantalum(V) surface complex [(≡SiO)2Ta(=NH)(NH2)] undergoes H/D exchange when exposed to deuterated benzene, toluene, 3,3‐dimethyl‐1‐butene and methane. In the case of the two facile benzene and toluene activation reactions, a mechanism proceeding through 1,2‐addition across tantalum–imido bonds of the surface species and its reverse 1,2‐elimination from the transient silica supported tantalum(V) bis amido alkyl intermediate is proposed.
Six New Coordination Polymers: from Dimer to 2D Network based on the Combination of cis‐Bis(imidazole) Spacers with Cobalt(II) Cations
Authors: Wang Yue , Qi Yan
Published: September 2014

This paper reports the first systemic investigation on the bimetallic ring coordination polymers based on two structure‐related flexible bis(imidazole) ligands, bimb as well as bix [bimb = 1, 4‐bis(imidazol‐1‐yl)‐butane, bix = 1, 4‐bis(imidazol‐1‐yl‐methylene)‐benzene)]. As expected, six new cobalt complexes were generated, namely, [Co2(SCN)4(bimb)2] (1), [Co2(L1)2(bimb)2Cl2] (2), [Co2(L2)4(bix)2] (3), [Co(SCN)2(bimb)2] (4), {Co[N(CN)2]2(bimb)2} (5), and [Co(L3)(bix)] (6) (HL1 = 4‐aminobenzoic acid, HL2 = 4‐nitrobenzoic acid, and H2L3 = succinic acid). The structures of 1–3 are three discrete dinuclear ring motifs. Especially, 1 is the first example of 1D pseudo‐polyrotaxane formed by S···S strong interactions based on bis(imidazole) ligands. 4 and 5 exhibit 1D meso‐helical chain architecture, in spite of their different space groups. In 6, the discrete dinuclear ring motifs, traversed by μ2‐η3‐chelating L3 anions, are interconnected by another μ2‐η1‐bridging L3 anions to form 2D (4, 4) network. The formation of these compounds should be undoubtedly attributed to the preference for cis‐bis(imidazole) ligands crystallization resulting in various ring architectures. In addition, compound 6 exhibits antiferromagnetic behavior.
Clinical Issues‐October 2014
Authors: Denholm Bonnie
Published: September 2014

This Month

Standing orders for narcotics

Key words: standing medication orders, preference cards, narcotics.

Reprocessing instruments when there is a question of sterility

Key words: decontamination, reprocessing, instrument trays, event‐related sterility.

Inaccurate sponge counts in custom packs

Key words: counts, soft goods, sponges, custom packs.

Chewing gum in the OR

Key words: OR food consumption, chewing gum, exposure to bloodborne pathogens.
CANONICAL REPRESENTATIVES FOR DIVISOR CLASSES ON TROPICAL CURVES AND THE MATRIX–TREE THEOREM
Authors: AN YANG , BAKER MATTHEW , KUPERBERG GREG , SHOKRIEH FARBOD
Published: September 2014

Let $\def \xmlpi #1{}\def \mathsfbi #1{\boldsymbol {\mathsf {#1}}}\let \le =\leqslant \let \leq =\leqslant \let \ge =\geqslant \let \geq =\geqslant \def \Pr {\mathit {Pr}}\def \Fr {\mathit {Fr}}\def \Rey {\mathit {Re}}\Gamma $ be a compact tropical curve (or metric graph) of genus $g$. Using the theory of tropical theta functions, Mikhalkin and Zharkov proved that there is a canonical effective representative (called a break divisor) for each linear equivalence class of divisors of degree $g$ on $\Gamma $. We present a new combinatorial proof of the fact that there is a unique break divisor in each equivalence class, establishing in the process an ‘integral’ version of this result which is of independent interest. As an application, we provide a ‘geometric proof’ of (a dual version of) Kirchhoff’s celebrated matrix–tree theorem. Indeed, we show that each weighted graph model $G$ for $\Gamma $ gives rise to a canonical polyhedral decomposition of the $g$-dimensional real torus $\mathrm{Pic}^g(\Gamma )$ into parallelotopes $C_T$, one for each spanning tree $T$ of $G$, and the dual Kirchhoff theorem becomes the statement that the volume of $\mathrm{Pic}^g(\Gamma )$ is the sum of the volumes of the cells in the decomposition.
DEBATING CONVERSION, SILENCING CASTE: THE LIMITED SCOPE OF RELIGIOUS FREEDOM
Authors: Adcock C. S.
Published: September 2014

Critics argue that the politics of religious rights creates the problem of religious minorities instead of resolving it. The history of debate over conversion in India reveals that appeals to religious freedom can obscure and even suppress struggles against inequality and injustice.
Petrogenesis and geochronology of the Arkasani Granophyre and felsic Dalma volcanic rocks: implications for the evolution of the Proterozoic North Singhbhum Mobile Belt, east India
Authors: BHATTACHARYA H.N. , NELSON D.R. , THERN E.R. , ALTERMANN W.
Published: September 2014

The North Singhbhum Mobile Belt (NSMB) is a 200 km long, curved Proterozoic fold–thrust belt that skirts the northern margin of the Archean Singhbhum Craton of NE India. The Singhbhum Shear Zone (SSZ) developed between the Dhanjori and Chaibasa formations near the southern margin of the NSMB and represents an important Cu-U-P metallotect. A SHRIMP U–Pb zircon date of 1861±6 Ma, obtained for the syn- to post-kinematic Arkasani Granophyre that has intruded the SSZ, provides a minimum age for the prolonged tectonic activity and mineralization along the SSZ and for the time of closure of the Chaibasa and Dhanjori sub-basins. The Dalma Volcanic Belt, a submarine rift-related bimodal mafic-felsic volcanic suite, forms the spine of the NSMB. A SHRIMP U–Pb zircon igneous crystallization date of 1631±6 Ma was obtained for an unfoliated felsic volcanic rock from the base of the Dalma volcanic sequence. These new findings suggest that the different sub-basins in the NSMB evolved diachronously under contrasting tectonic environments and were juxtaposed during a later orogenic movement.
STRUCTURE-REVERSIBILITY OF A TWO-DIMENSIONAL REFLECTING RANDOM WALK AND ITS APPLICATION TO QUEUEING NETWORK
Authors: Kobayashi Masahiro , Miyazawa Masakiyo , Shimizu Hiroshi
Published: September 2014

We consider a two-dimensional reflecting random walk on the non-negative integer quadrant. It is assumed that this reflecting random walk has skip-free transitions. We are concerned with its time-reversed process assuming that the stationary distribution exists. In general, the time-reversed process may not be a reflecting random walk. In this paper, we derive necessary and sufficient conditions for the time-reversed process also to be a reflecting random walk. These conditions are different from but closely related to the product form of the stationary distribution.
MODELING AND OPTIMIZATION OF GENETIC SCREENS VIA RNA INTERFERENCE AND FACS
Authors: Goldberg Yair , Nov Yuval
Published: September 2014

We study mathematically a method for discovering which gene is related to a cell characteristic (“phenotype”) of interest. The method is based on RNA interference – a molecular process for gene deactivation – and on coupling the phenotype with cell fluorescence. A small number of candidate genes are thus isolated, and then tested individually. We model probabilistically this process, prove a limit theorem for its outcome, and derive operational guidelines for maximizing the probability of successful gene discovery.
Polyphenolic extracts from cowpea (Vigna unguiculata) protect colonic myofibroblasts (CCD18Co cells) from lipopolysaccharide (LPS)-induced inflammation – modulation of microRNA 126
Authors: Ojwang Leonnard O. , Banerjee Nivedita , Noratto Giuliana D. , Angel-Morales Gabriela , Hachibamba Twambo , Awika Joseph M. , Mertens-Talcott Susanne U.
Published: September 2014

Cowpea (Vigna unguiculata) is a drought tolerant crop with several agronomic advantages over other legumes.
A novel device to concurrently assess leukocyte extravasation and interstitial migration within a defined 3D environment
Authors: Molteni Raffaella , Bianchi Elena , Patete Paolo , Fabbri Monica , Baroni Guido , Dubini Gabriele , Pardi Ruggero
Published: September 2014

Our device enables qualitative and quantitative assessment in 4D of the interdependent steps underlying circulating cell recruitment to tissues.
Design, synthesis, and biological activity of N-alkylated analogue of NCL1, a selective inhibitor of lysine-specific demethylase 1
Authors: Ahmed Khan Mohammed Naseer , Tsumoto Hiroki , Itoh Yukihiro , Ota Yosuke , Suzuki Miki , Ogasawara Daisuke , Nakagawa Hidehiko , Mizukami Tamio , Miyata Naoki , Suzuki Takayoshi
Published: September 2014

A hybridization of NCL1 and compound 5 led to the identification of a potent lysine-specific demethylase 1 inhibitor 5.
Continuous flow purification of nanocrystal quantum dots
Authors: Kim Duckjong , Park Hye Kyung , Choi Hyekyoung , Noh Jaehong , Kim Kyungnam , Jeong Sohee
Published: September 2014

Nanocrystal quantum dots are continuously purified by moving them to the impurity-free target solvent stream.
Predictable and controllable dual-phase interfaces in TiO2(B)/anatase nanofibers
Authors: Lei Yimin , Sun Jie , Liu Hongwei , Cheng Xuan , Chen Fuyi , Liu Zongwen
Published: September 2014

The TiO2(B)/anatase interfaces were predicted successfully with a method with high practicality. The related phase transformation mechanism was also interpreted based on the predicted results.