bluuebunny/crossref_metadata_2025 huggingface dataset:
Re-performer le matrimoine
Authors: Tembeck Tamar
Published: February 2015

L’auteure traite de la re-performance comme mode de réanimation intergénérationnelle d’un matrimoine performatif féministe, ainsi que de la place qu’occupe cet héritage dans les réflexions et les pratiques actuelles de quatre artistes : Oriana Fox (Londres), Julie Châteauvert et Valérie Perron (Montréal) et Julie Lassonde (Toronto). L’auteure se penche également sur l’institutionnalisation de l’art de la performance tout comme de l’« art féministe », sur les liens entre la re-performance et le statut canonique des oeuvres, sur la nature de l’attachement des re-performeurs et des re-performeuses aux oeuvres source citées, ainsi que sur la nostalgie du militantisme en art.
L’art de conquérir le contrepublic
Authors: Pagé Geneviève
Published: February 2015

Cet article utilise les théories sur la sphère publique de Jürgen Habermas et l’idée d’un contrepublic subalterne de Nancy Fraser pour réfléchir à la portée politique des zines féministes. L’auteure soutient que l’utilisation d’une esthétique qui leur est propre et d’un langage vulgaire et pédagogue ainsi que le recours aux réseaux de distribution de zines féministes favorisent la création d’une sphère de délibération rationnelle externe à la sphère publique dominante (contrepublic). De plus, elle avance que l’existence de ce contrepublic facilite une modification de la position subalterne qui, elle, permet un engagement dans la sphère publique de même qu’une modification des règles qui la sous-tendent, et ce, à travers trois processus : la construction d’une subjectivité ambiguë, l’intervention directe dans la sphère publique et la subversion de la dichotomie privé/public.
Twofold Extrusion Reactions
Authors: James Guziec Lynn , Guziec Frank S.
Published: February 2015

Twofold extrusion reactions are chemical transformations in which two small inorganic molecules or atoms connecting carbon or nitrogen atoms are lost, generating the corresponding carbon‐carbon or carbon‐nitrogen double bonds. These reactions are particularly useful for the preparation of sterically hindered alkenes and imines. The inorganic species liberated in twofold extrusion reactions can be molecular nitrogen, sulfur, selenium, tellurium, sulfur dioxide, sulfur monoxide, carbon dioxide or carbon monoxide.

The most common precursors for twofold extrusion reactions are 1,3,4‐thiadiazolines, which thermally extrude molecular nitrogen affording thiiranes. These thiiranes can be readily desulfurized to afford the corresponding alkenes using tertiary phosphines. The corresponding 1,3,4‐selenadiazolines thermally extrude both molecular nitrogen and atomic selenium directly affording alkenes. Alkenes can also be prepared by formal extrusions of molecular nitrogen plus sulfur dioxide or sulfur monoxide. Extremely sterically hindered imines can be prepared by extrusions of molecular nitrogen and sulfur or selenium from in situ generated heterocyclic precursors. Other less common twofold extrusion reactions are also reported.

The detailed preparations of the required precursors for the twofold extrusion reactions as well as the mechanisms of these extrusion processes are discussed in this chapter. The utility of twofold extrusion reactions in the preparations of ‘molecular rotors’ and other extremely sterically hindered alkenes is presented. The steric limitations of the twofold extrusion reactions are discussed along with comparisons of these reactions with other alkene‐ and imine‐forming synthetic methods. The Tabular Survey covers material through the end of 2009.
Multiphase Nanostructure of a Quinary Metal Oxide Electrocatalyst Reveals a New Direction for OER Electrocatalyst Design
Authors: Haber Joel A. , Anzenburg Eitan , Yano Junko , Kisielowski Christian , Gregoire John M.
Published: February 2015

Ce‐rich mixed metal oxides comprise a recently discovered class of ­electrocatalysts for the oxygen evolution reaction (OER). In particular, at current densities below 10 mA cm−2, Ni0.3Fe0.07Co0.2Ce0.43Ox exhibits ­superior activity compared to the corresponding transition metal oxides, despite the relative inactivity of ceria. To elucidate the enhanced activity and underlying catalytic mechanism, detailed structural characterization of this quinary oxide electrocatalyst is reported. Transmission electron microscopy imaging of cross‐section films as‐prepared and after electrochemical testing reveals a stable two‐phase nanostructure composed of 3–5 nm diameter crystallites of fluorite CeO2 intimately mixed with 3–5 nm crystallites of transition metal oxides alloyed in the rock salt NiO structure. Dosing experiments demonstrate that an electron flux greater than ≈1000 e Å−2 s−1 causes the inherently crystalline material to become amorphous. A very low dose rate of 130 e Å−2 s−1 is employed for atomic resolution imaging using inline holography techniques to reveal a nanostructure in which the transition metal oxide nanocrystals form atomically sharp boundaries with the ceria nanocrystals, and these results are corroborated with extensive synchrotron X‐ray absorption spectroscopy measurements. Ceria is a well‐studied cocatalyst for other heterogeneous and electrochemical reactions, and our discovery introduces biphasic cocatalysis as a design concept for improved OER electrocatalysts.
Design and screening of ionic liquids for C2H2/C2H4 separation by COSMO‐RS and experiments
Authors: Zhao Xu , Yang Qiwei , Xu Dan , Bao Zongbi , Zhang Yi , Su Baogen , Ren Qilong , Xing Huabin
Published: February 2015

Ionic liquids (ILs) have been proposed as promising solvents for separating C2H2 and C2H4, but screening an industrially attractive IL with high capacity from numerous available ILs remains challenging. In this work, a rapid screening method based on COSMO‐RS was developed. We also present an efficient strategy to improve the C2H2 capacity in ILs together with adequate C2H2/C2H4 selectivity with the aid of COSMO‐RS. The essence of this strategy is to increase molecular free volume of ILs and simultaneously enhance hydrogen‐bond basicity of anions by introducing flexible and highly asymmetric structures, which is validated by a new class of tetraalkylphosphonium ILs featuring long‐chain carboxylate anions. At 298.1 K and 1 bar, the solubility of C2H2 in ILs reaches 0.476 mol/mol IL, very high for a physical absorption, with a selectivity of up to 21.4. The separation performance of tetraalkylphosphonium ILs to the mixture of C2H2/C2H4 was also evaluated. © 2015 American Institute of Chemical Engineers AIChE J, 61: 2016–2027, 2015
An overview of conditioning regimens for haploidentical stem cell transplantation with post‐transplantation cyclophosphamide
Authors: Shabbir‐Moosajee Munira , Lombardi Lindsey , Ciurea Stefan O.
Published: February 2015

Haploidentical related donors are an attractive alternative source of stem cells for allogeneic stem cell transplantation due to widespread availability and ease of stem cell procurement. Historically, haploidentical stem cell transplantation (HaploSCT) with extensive T‐cell depletion has been associated with high rates of infectious complications and nonrelapse mortality (NRM). Post‐transplantation cyclophosphamide (PTCy) has been shown to induce immune tolerance, effectively control graft‐versus‐host‐disease (GVHD), and is associated with lower NRM, making it a preferred option for patients undergoing HaploSCT. Over the last decade, several groups investigated PTCy for GVHD prevention in HaploSCT; it is now successfully utilized with both myeloablative and nonmyeloablative conditioning regimens with survival comparable to HLA‐matched transplantation. Future directions will focus on optimizing conditioning regimens by diagnosis, improving donor selection, and enhancing graft‐versus‐leukemia effect. Am. J. Hematol. 90:541ȓ548, 2015. © 2015 Wiley Periodicals, Inc.
On the Role of the Electronic Structure of the Heteronuclear Oxide Cluster [Ga2Mg2O5].+ in the Thermal Activation of Methane and Ethane: An Unusual Doping Effect
Authors: Li Jilai , Wu Xiao‐Nan , Schlangen Maria , Zhou Shaodong , González‐Navarrete Patricio , Tang Shiya , Schwarz Helmut
Published: February 2015

The reactivity of the heteronuclear oxide cluster [Ga2Mg2O5].+, bearing an unpaired electron at a bridging oxygen atom (Ob.−), towards methane and ethane has been studied using Fourier transform ion cyclotron resonance mass spectrometry (FT‐ICR‐MS). Hydrogen‐atom transfer (HAT) from both methane and ethane to the cluster ion is identified experimentally. The reaction mechanisms of these reactions are elucidated by state‐of‐the‐art quantum chemical calculations. The roles of spin density and charge distributions in HAT processes, as revealed by theory, not only deepen our mechanistic understanding of CH bond activation but also provide important guidance for the rational design of catalysts by pointing to the particular role of doping effects.
The association between maternal parity and birth defects
Authors: McNeese Melanie L. , Selwyn Beatrice Josephine , Duong Hao , Canfield Mark , Waller Dorothy Kim
Published: February 2015

BACKGROUND

Previous studies observed that first birth is associated with an increased risk of some categories of birth defects. However, multiple statistical tests were conducted and it was unclear which of these associations would be replicated in a larger study. We used a large database to assess the association between maternal parity and 65 birth defects including birth defects that have not been previously studied.

METHODS

Using data from the Texas Birth Defects Registry for years 1999–2009, the risk of a birth defect occurring in a first, third, or fourth or higher birth was compared to the risk of a birth defect occurring in a second birth.

RESULTS

Women having their first birth had significantly increased odds of having an infant with 24 of 65 categories of birth defects when compared to women having their second birth. We also observed associations between first birth and an increased risk of five birth defects not previously reported (small penis, preaxial polydactyly, anomalies of the thoracic vertebrae, anomalies of the lumbar vertebrae, and sacroccygeal anomalies). Women having their third or fourth or higher birth had significantly increased odds of giving birth to infants with five of 65 birth defects when compared to second births.

CONCLUSIONS

Our observations regarding the categories of birth defects that were associated with first births were highly consistent with observations from two previous studies. Research into biological, behavioral, and environmental factors that may increase the risk of specific birth defects among first births is needed to further explore these associations. Birth Defects Research (Part A) 103:144–156, 2015 © 2015 Wiley Periodicals, Inc.
Understanding of altered N‐glycosylation‐related gene expression in recombinant Chinese hamster ovary cells subjected to elevated ammonium concentration by digital mRNA counting
Authors: Ha Tae Kwang , Kim Yeon‐Gu , Lee Gyun Min
Published: February 2015

To understand the effects of ammonium on N‐glycosylation, recombinant Chinese hamster ovary (rCHO) cells that produce the Fc‐fusion protein were cultivated in serum‐free suspension cultures with 10 mM ammonium addition. The addition of ammonium to the cultures reduced the relative proportion of acidic isoforms and sialic acid content of an Fc‐fusion protein. Fifty two N‐glycosylation‐related gene expressions were assessed by the NanoString nCounter system, which provides a digital readout using custom‐designed color‐coded probes. Among these queried genes, thirteen genes (gale, nans, gpi, man2a1, b4galt5, b4galt7, st3gal2, st3gal5, glb1, hexa, hexb, neu1, and neu3) were up‐regulated over 1.5 times in the culture with ammonium addition after 5 days of culture; however, none of the 54 genes were significantly different after 3 days of culture. In particular, the expression level of neu1 (sialidase‐1) and neu3 (sialidase‐3), which play a role in reduction of sialylation, increased over 2 times. Likewise, the protein expression levels of sialidase‐1 and sialidase‐3 determined by Western blot analysis were also increased significantly in the culture with ammonium addition. Transient transfection of neu‐1 or neu3‐targeted siRNAs significantly improved the sialic acid content of the Fc‐fusion protein in the culture with ammonium addition, indicating that the decreased sialic acid content was in part due to the increased expression level of sialidase. Taken together, the results obtained in this study provide a better understanding of the detrimental effect of ammonium on N‐glycosylation, especially sialylation, in rCHO cells. Biotechnol. Bioeng. 2015;112: 1583–1593. © 2015 Wiley Periodicals, Inc.
Simultaneous determination of camptothecin and 10‐hydroxycamptothecine in the Camptotheca acuminate, its medicinal preparation and in rat plasma by liquid chromatography with fluorescence detection
Authors: Li Peng , Chen Qinhua , Yu Fei , Xie Xiaoyu , Wang Sicen
Published: February 2015

Camptotheca acuminata Decne is an important medicinal plant that contains various cytotoxic alkaloids, such as camptothecine (CPT) and 10‐hydroxycamptothecine (HCPT). A rapid and sensitive liquid chromatography with fluorescence detection (LC‐FLD) method for the quantification of CPT and HCPT is described. The separation was carried out on a DL‐Cl8 column (4.6 × 150 mm, 5 µm), with the mobile phase of acetonitrile–sodium dihydrogen phosphate buffer (10 mm) using an gradient elution at the flow rate of 0.6 mL/min. The LC‐FLD method was validated for linearity, sensitivity, accuracy and precision, and then used to determine the content of the above components. The lower detection limits of CPT and HCPT were 0.4 and 0.1 ng/mL, respectively. The precision was <1.58% and the mean recovery of the analytes was 96.0–98.6%. The LC‐FLD method was successfully applied to determine CPT and HCPT in real samples including C. acuminate, HCPT injection and rat plasma. Copyright © 2015 John Wiley & Sons, Ltd.
Inhibitory effects of indole α‐lipoic acid derivatives on nitric oxide production in LPS/IFNγ activated RAW 264.7 macrophages
Authors: Karabay Arzu Zeynep , Koc Aslı , Gurkan‐Alp A. Selen , Buyukbingol Zeliha , Buyukbingol Erdem
Published: February 2015

Alpha‐lipoic acid (α‐lipoic acid) is a potent antioxidant compound that has been shown to possess anti‐inflammatory effects. RAW 264.7 macrophages produce various inflammatory mediators such as nitric oxide, IL‐1β, IL‐6 and TNF‐alpha upon activation with LPS ( Lipopolysaccharide) and IFNγ (interferon gamma). In this study, the effect of 12 synthetic indole α‐lipoic acid derivatives on nitric oxide production and iNOS (inducible nitric oxide synthase) protein expression in LPS/IFNγ activated RAW 264.7 macrophages was determined. Cell proliferation, nitric oxide levels and iNOS protein expression were examined with thiazolyl blue tetrazolium blue test, griess assay and western blot, respectively. Our results showed that all of the indole α‐lipoic acid derivatives showed significant inhibitory effects on nitric oxide production and iNOS protein levels (p < 0.05). The most active compounds were identified as compound I‐4b, I‐4e and II‐3b. In conclusion, these indole α‐lipoic acid derivatives may have the potential for treatment of inflammatory conditions related with high nitric oxide production. Copyright © 2015 John Wiley & Sons, Ltd.
Structural Transformation and Hysteretic Sorption of Light Hydrocarbons in a Flexible Zn–Pyrazole–Adenine Framework
Authors: Fu Hong‐Ru , Zhang Jian
Published: February 2015

A three‐dimensional metal–organic framework (MOF) was synthesized by combining 4‐pyrazolecarboxylic acid and adenine. This MOF exhibits reversible flexibility and breathing adsorption behaviors in response to light hydrocarbons, with high capacity. The flexibility of the structural transitions was studied on the molecular scale by obtaining the crystal structures at 303, 353 and 373 K. The bridging nitrogen atoms of the pyrazolate rings act as a “kneecap” around the M⋅⋅⋅M axis, which causes the rotation of ligands around the M⋅⋅⋅M axis in response to external stimulus, thus giving rise to the deformation of the framework structure.
Beschleunigter Sinkprozess fester Partikel bei laminarer und turbulenter Umströmung
Authors: Glöckner Hannes , Hagemeier Thomas , Müller Peter , Roloff Christoph , Thévenin Dominique , Tomas Jürgen
Published: February 2015

Die Trennung von Partikelkollektiven erfolgt meist anhand der stationären Sinkgeschwindigkeit als Trennmerkmal. Die Bewegungszustände der Partikel werden bisher sehr aufwendig durch die numerische Lösung des Kräftegleichgewichts ermittelt. In dieser Arbeit werden algebraische Gleichungen hergeleitet, die die zeitlichen Änderungen von Sinkgeschwindigkeit und ‐weg bei laminarer und turbulenter Partikelumströmung beschreiben und lediglich von der Partikelgröße, ‐dichte und ‐form abhängen. Unabhängig von der Anfangsgeschwindigkeit lassen sich charakteristische Werte ermitteln, mit denen der Zeitpunkt abgeschätzt werden kann, ab dem eine ausreichende Annäherung an die stationäre Sinkgeschwindigkeit erreicht ist.
Focal cartilage defect compromises fluid‐pressure dependent load support in the knee joint
Authors: Dabiri Yaghoub , Li LePing
Published: February 2015

A focal cartilage defect involves tissue loss or rupture. Altered mechanics in the affected joint may play an essential role in the onset and progression of osteoarthritis. The objective of the present study was to determine the compromised load support in the human knee joint during defect progression from the cartilage surface to the cartilage–bone interface. Ten normal and defect cases were simulated with a previously tested 3D finite element model of the knee. The focal defects were considered in both condyles within high load‐bearing regions. Fluid pressurization, anisotropic fibril‐reinforcement, and depth‐dependent mechanical properties were considered for the articular cartilages and menisci. The results showed that a small cartilage defect could cause 25% reduction in the load support of the knee joint due to a reduced capacity of fluid pressurization in the defect cartilage. A partial‐thickness defect could cause a fluid pressure decrease or increase in the remaining underlying cartilage depending on the defect depth. A cartilage defect also increased the shear strain at the cartilage–bone interface, which was more significant with a full‐thickness defect. The effect of cartilage defect on the fluid pressurization also depended on the defect sites and contact conditions. In conclusion, a focal cartilage defect causes a fluid‐pressure dependent load reallocation and a compromised load support in the joint, which depend on the defect depth, site, and contact condition. Copyright © 2015 John Wiley & Sons, Ltd.
Water Soluble CuInSe2 Nanoplates: Controlled Synthesis, Photoelectric Response and Electrocatalytic Reduction of Polysulfides
Authors: Zhu Qi , Chen Wenlong , Dai Fang , Yuan Yanping , Wu Xiangyang , Zai Jiantao , Qi Rongrong , Qian Xuefeng
Published: February 2015

Hexagonal CuInSe2 (CISe) nanoplates with a size of about 200 nm have been synthesized by a two‐step solvothermal method, in which Sex2− precursor stabilized by HCO(CH3)2NH+ cations (hydrolysis product of the solvent) was prepared from Se powder and vitamin C. Further study indicated that the pre‐reduction process of Se powder could control the concentration of Sex2− ions, which played a key role in the phase formation and morphologies of CISe. Furthermore, poly(vinyl pyrrolidone) was beneficial to form CISe nanoplates and could help CISe nanoplates disperse in ethanol and water to form stable inks. CISe films prepared by drop‐coating showed a good photoelectric response under visible light irradiation and better electrocatalytic activity for the reduction of polysulfides than Pt.
Synthesis, Physicochemical Characterization, and Interaction with DNA of Long‐Alkyl‐Chain Gemini Pyridinium Surfactants
Authors: Barbero Nadia , Magistris Claudio , Quagliotto Pierluigi , Bonandini Luca , Barolo Claudia , Buscaino Roberto , Compari Carlotta , Contardi Laura , Fisicaro Emilia , Viscardi Guido
Published: February 2015

Pyridinium gemini surfactants with hexadecyl chains linked to nitrogen atoms and a tuned aliphatic spacer that bridges the two pyridinium polar heads in 2,2′‐positions have been synthesized and characterized. A multitechnique approach allowed us to study the aggregation behavior, using conductivity, surface tension, and fluorescence. Graphs of the specific conductivity (κ) versus the surfactant molar concentration (C), and graphs of the molar conductivity (Λ) versus C0.5 suggest pre‐aggregation phenomena of these amphiphiles at very low concentration. The trends of Amin as a function of the spacer length confirm the hypothesis of a conformational change of the molecule with four methylene groups as spacer owing to stacking interactions between the two pyridinium rings mediated by the counterion. Moreover, the trends of Amin and counterion binding (β) suggest that the spacer must be longer than eight carbon atoms to fold efficiently toward the micellar core. The opportunity to tune the surfactant structure and aggregation properties make those surfactants—particularly the long‐chain ones for which the DNA complexing ability was shown by means of atomic force microscopy (AFM) imaging—desirable candidates for gene‐delivery experiments.
High‐Throughput Screening of Thin‐Film Semiconductor Material Libraries I: System Development and Case Study for TiWO
Authors: Sliozberg Kirill , Schäfer Dominik , Erichsen Thomas , Meyer Robert , Khare Chinmay , Ludwig Alfred , Schuhmann Wolfgang
Published: February 2015

An automated optical scanning droplet cell (OSDC) enables high‐throughput quantitative characterization of thin‐film semiconductor material libraries. Photoelectrochemical data on small selected measurement areas are recorded including intensity‐dependent photopotentials and ‐currents, potentiodynamic and potentiostatic photocurrents, as well as photocurrent (action) spectra. The OSDC contains integrated counter and double‐junction reference electrodes and is fixed on a precise positioning system. A Xe lamp with a monochromator is coupled to the cell through a thin poly(methyl methacrylate) (PMMA) optical fiber. A specifically designed polytetrafluoroethylene (PTFE) capillary tip is pressed on the sample surface and defines through its diameter the homogeneously illuminated measurement area. The overall and wavelength‐resolved irradiation intensities and the cell surface area are precisely determined and calibrated. System development and its performance are demonstrated by means of screening of a TiWO thin film.
High‐Throughput Screening of Thin‐Film Semiconductor Material Libraries II: Characterization of FeWO Libraries
Authors: Meyer Robert , Sliozberg Kirill , Khare Chinmay , Schuhmann Wolfgang , Ludwig Alfred
Published: February 2015

Metal oxides are promising materials for solar water splitting. To identify suitable materials within the ternary system FeWO, thin‐film material libraries with combined thickness and compositional gradients were synthesized by combinatorial reactive magnetron sputtering. These libraries (>1000 different samples) were investigated by means of structural and functional high‐throughput characterization techniques to establish correlations between composition, crystallinity, morphology, thickness, and photocurrent density in the compositional range between (Fe6W94)Ox and (Fe61W39)Ox. In addition to the well‐known phase WO3, the binary phase W5O14 and the ternary phase Fe2O6W show enhanced photoelectrochemical activity. The highest photocurrent density of 65 μA cm−2 was achieved for the composition (Fe15W85)Ox, which contains the W5O14 phase and has a thickness of 1060 nm.
Highly Efficient Binuclear Ruthenium Catalyst for Water Oxidation
Authors: Sander Anett C. , Maji Somnath , Francàs Laia , Böhnisch Torben , Dechert Sebastian , Llobet Antoni , Meyer Franc
Published: February 2015

Water splitting is one of the key steps in the conversion of sunlight into a usable renewable energy carrier such as dihydrogen or more complex chemical fuels. Developing rugged and highly efficient catalysts for the oxidative part of water splitting, the water oxidation reaction generating dioxygen, is a major challenge in the field. Herein, we introduce a new, and rationally designed, pyrazolate‐based diruthenium complex with the highest activity in water oxidation catalysis for binuclear systems reported to date. Single‐crystal X‐ray diffraction showed favorable preorganization of the metal ions, well suited for binding two water molecules at a distance adequate for OO bond formation; redox titrations as well as spectroelectrochemistry allowed characterization of the system in several oxidation states. Low oxidation potentials reflect the trianionic character of the elaborate compartmental pyrazolate ligand furnished with peripheral carboxylate groups. Water oxidation has been mediated both by a chemical oxidant (CeIV)—by means of manometry and a Clark electrode for monitoring the dioxygen production—and electrochemically with impressive activities.
The application of the Johns Hopkins Hospital Template on urine cytology
Authors: Wu Howard H. , Redelman Megan , Chen Shaoxiong , Grignon David J. , Cramer Harvey M.
Published: February 2015

Background

To evaluate the utility of the Johns Hopkins Hospital (JHH) template in detection of high‐grade urothelial carcinoma (HGUC).

Methods

A computerized search of our laboratory information system was performed for all urine cytology cases from 2009 to 2011 processed by the SurePath™. We included only cases with correlating surgical pathology within 6 months after the urinary samples were obtained. The original cytologic diagnoses were reclassified according to the JHH template, and these cytolog ic diagnoses were then correlated with the follow‐up surgical pathology diagnoses.

Results

A total of 273 urine samples with histopathologic follow‐up were identified. The reclassified cytologic diagnoses included negative for urothelial atypia or malignancy (NUAM) 110; atypical urothelial cells of undetermined significance (AUC‐US) 83; atypical urothelial cells, cannot exclude high‐grade urothelial carcinoma (AUC‐H) 49; HGUC 29; and low‐grade urothelial carcinoma (LGUC) 2. More than one‐half of patients (58%) who had biopsy‐confirmed high‐grade urothelial lesions had a preceding cytologic diagnosis of AUC‐H or HGUC. AUC‐H and HGUC are associated with high‐grade urothelial lesions in 80% and 90% of the cases and show statistical significance when compared with AUC‐US or NUAM (P < 0.05).

Conclusion

The JHH template is useful and effective in identifying patients with high‐grade urothelial lesions who need to undergo cystoscopy. Diagn. Cytopathol. 2015;43:593–597. © 2015 Wiley Periodicals, Inc.
Fine‐needle aspiration of superficial myxoid neurofibroma in the region of the breast
Authors: Nasrallah MacLean P. , Nasrallah Ilya M. , Yu Gordon H.
Published: February 2015

Myxoid neurofibromas are benign spindle cell tumors of perineural cell origin with a broad pathologic differential diagnosis, which includes myxoma, myxoid liposarcoma, myxoid dermatofibrosarcoma protuberans, and low‐grade fibromyxoid sarcoma. We present an unusual case of superficial myxoid neurofibroma in the region of the breast that underwent pre‐operative fine‐needle aspiration (FNA). The differential diagnosis for a myxoid subcutaneous lesion should include myxoid neurofibroma when myxoid material is encountered in an otherwise hypocellular FNA. Diagn. Cytopathol. 2015;43:427–431. © 2015 Wiley Periodicals, Inc.
[Ag{S2CNR(C2H4OH)}] as Single‐Source Precursor for Ag2S – Synthesis, Decomposition Mechanism, and Deposition Studies
Authors: Mothes Robert , Jakob Alexander , Waechtler Thomas , Schulz Stefan E. , Gessner Thomas , Lang Heinrich
Published: February 2015

Silver(I) dithiocarbamates [Ag{S2CNR(C2H4OH)}] (3a, R = Me; 3b, R = Bu) were accessible by the reaction of AgNO3 with K{S2CNR(C2H4OH)} (2a, R = Me; 2b, R = Bu). Alternatively, 3b could be prepared by the condensation of CS2 and Ag2O with NHBu(C2H4OH) (1b). The thermal behavior of 3 was studied by thermogravimetric (TG) analysis. A two‐step decomposition process leads to the formation of α‐Ag2S, as evidenced by X‐ray powder diffraction studies. A decomposition mechanism of 3a to form Ag2S through the release of 3‐methyloxazolidine‐2‐thione is discussed based on TG–MS, GC–MS, and NMR experiments. Because of the better solubility of 3b, this complex was tested for Ag2S spin‐coating deposition studies on different substrates (SiO2/Si, TiN/SiO2/Si, glass) with subsequent annealing at 450 °C under a N2 atmosphere. Film thickness, composition, and morphology of the as‐deposited films were determined by XRD, SEM, energy‐dispersive X‐ray spectroscopy, and X‐ray photoelectron spectroscopy, which showed the formation of 200 nm thick, conformal, adherent, monoclinic α‐Ag2S layers.
Synthesis and Catalytic Activity of Molybdenum–Nitride Complexes Bearing Pincer Ligands
Authors: Kinoshita Eriko , Arashiba Kazuya , Kuriyama Shogo , Eizawa Aya , Nakajima Kazunari , Nishibayashi Yoshiaki
Published: February 2015

Molybdenum–nitride complexes bearing pincer ligands have been designed, prepared, and characterized spectroscopically. The synthetic method described in this paper provides a convenient and useful approach to the preparation of cationic molybdenum(V)–nitride complexes that may act as catalysts for the formation of ammonia from molecular dinitrogen under ambient reaction conditions..
A Model Study on Molecular Properties and Mechanistic Investigations of P=C=E14 Molecules
Authors: Li Ming‐Chung , Shih Tsung‐Wei , Li Yu‐Chi , Ma Jia‐Ying , Su Ming‐Der
Published: February 2015

The bonding properties and the potential energy surfaces for the chemical reactions of heteroallenic compounds with a –P=C=E14< pattern are studied by using density functional theory (M06‐2X/Def2‐SVPD). Five Mes*P=C=E14(tBu)Tip species, for which E14 = C, Si, Ge, Sn, and Pb, were used as model reactants in this work. The theoretical evidence shows that Mes*P=C=E14(tBu)Tip molecules have both P=C and C=E14 double bonds. Four types of chemical reaction – water addition, acetylene [3+2] cycloaddition, ketone [2+2] cycloaddition, and selenium [1+2] cycloaddition – have been used to study the reactive activity of these group 14 heteroallenic molecules. This theoretical work predicts that the heavier the group 14 element (E14) in the heteroallenic –P=C=E14< compounds, the smaller is its singlet–triplet energy splitting, the lower is its activation barrier, and the more rapid are its chemical reactions with various chemical species. As a result, this theoretical investigation shows that the relative reactivity of –P=C=E14< increases in the order: –P=C=C<, –P=C=Si<, –P=C=Ge<, –P=C=Sn<, and –P=C=Pb<.
Asymmetric Dihydroxylation of Esters and Amides of Methacrylic, Tiglic, and Angelic Acid: No Exception to the Sharpless Mnemonic!
Authors: Weber Fabian , Brückner Reinhard
Published: February 2015

Literature findings on the facial selectivity of the Sharpless asymmetric dihydroxylation (SAD) of isobutyl angelate are contradictory and partly in conflict with the Sharpless mnemonic. We systematically screened the SAD of esters and amides of angelic, tiglic, and methacrylic acid. Enantiocontrol arose in 14 of the 15 reactions, culminating at 99 % ee for the Weinreb amide of tiglic acid. The absolute configurations of all the nonracemic products were established by (stereo)chemical correlations. Without exception, they conform to the Sharpless mnemonic.
Stable and Easily Handled FeIII Catalysts for Hydrosilylation of Ketones and Aldehydes
Authors: Zhu Kailong , Shaver Michael P. , Thomas Stephen P.
Published: February 2015

The amine–bis(phenolate) iron(III)‐catalysed reduction of ketones and aldehydes to the corresponding secondary and primary alcohols by a consecutive hydrosilylation/hydrolysis process is reported. The amine–bis(phenolate) iron(III) catalyst is easily accessible, stable towards moisture and air and has a broad substrate scope.
Theoretical investigation of the halogen bonded complexes between carbonyl bases and molecular chlorine
Authors: Zierkiewicz Wiktor , Bieńko Dariusz C. , Michalska Danuta , Zeegers‐Huyskens Thérèse
Published: February 2015

The halogen bonded complexes between six carbonyl bases and molecular chlorine are investigated theoretically. The interaction energies calculated at the CCSD(T)/aug‐cc‐pVTZ level range between −1.61 and −3.50 kcal mol−1. These energies are related to the ionization potential, proton affinity, and also to the most negative values (Vs,min) on the electrostatic potential surface of the carbonyl bases. A symmetry adapted perturbation theory decomposition of the energies has been performed. The interaction results in an elongation of the ClCl bond and a contraction of the CF and CH bonds accompanied by a blue shift of the ν(CH) vibrations. The properties of the Cl2 molecules are discussed as a function of the σ*(ClCl) occupation, the hybridization, and the occupation of the Rydberg orbitals of the two chlorine atoms. Our calculations predict a large enhancement of the infrared and Raman intensities of the ν(ClCl) vibration on going from isolated to complexed Cl2. © 2015 Wiley Periodicals, Inc.
Transformation of tetramethyldisiloxane in used oil alkali treatment conditions: mechanism and kinetic modeling
Authors: Kupareva Antonina , Wärnå Johan , Grénman Henrik , Murzin Dmitry Yu
Published: February 2015

BACKGROUND

The behavior of silicon species in the recycling processes of waste lube oils is of great interest because of the negative effect of silicon compounds on the performance of hydrotreating catalysts and the formation of undesired solid deposits at various locations in the re‐refining units. To operate alkali treatment of silicon‐containing used oils efficiently in the recycling industry prediction of silicon species behavior is required. To this end kinetic modeling of the base catalyzed transformation of a model siloxane compound was done.

RESULTS

A kinetic model was developed for tetramethyldisiloxane (TMDS) transformation reactions under industrially relevant alkali treatment conditions in dodecane with sodium hydroxide as alkali agent. A reaction scheme describing the main pathways of TMDS transformation was proposed considering experimental and literature data. The studied model compound underwent hydrolysis, condensation and disproportionation reactions with formation of different molecular weight linear siloxanes. The latter were transformed to cyclic siloxanes through sodium silanolates generation. The data obtained experimentally were validated with the advanced kinetic model.

CONCLUSIONS

The proposed model fitted experimental data adequately, indicating that it can be used in the design and control of the caustic treatment of used oil containing silicon species. © 2015 Society of Chemical Industry
Epitope mapping by solution NMR spectroscopy
Authors: Bardelli M. , Livoti E. , Simonelli L. , Pedotti M. , Moraes A. , Valente A. P. , Varani L.
Published: February 2015

Antibodies play an ever more prominent role in basic research as well as in the biotechnology and pharmaceutical sectors. Characterizing their epitopes, that is, the region that they recognize on their target molecule, is useful for purposes ranging from molecular biology research to vaccine design and intellectual property protection. Solution NMR spectroscopy is ideally suited to the atomic level characterization of intermolecular interfaces and, as a consequence, to epitope discovery. Here, we illustrate how NMR epitope mapping can be used to rapidly and accurately determine protein antigen epitopes. The basic concept is that differences in the NMR signal of an antigen free or bound by an antibody will identify epitope residues. NMR epitope mapping provides more detailed information than mutagenesis or peptide mapping and can be much more rapid than X‐ray crystallography. Advantages and drawbacks of this technique are discussed together with practical considerations. Copyright © 2015 John Wiley & Sons, Ltd.
Selective separation and characterization of the stress degradation products of ondansetron hydrochloride by liquid chromatography with quadrupole time‐of‐flight mass spectrometry
Authors: Talluri Murali V. N. Kumar , Keshari Kundan Kumar , Kalariya Pradipbhai D. , Srinivas Ragampeta
Published: February 2015

Ondansetron hydrochloride was subjected to forced degradation studies under various conditions of hydrolysis (acidic, basic, and neutral), oxidation, photolysis, and thermal as prescribed by International Conference on Harmonisation guideline Q1A (R2). A simple, selective, precise, and accurate high‐performance liquid chromatography method was developed on a Waters Xterra C18 (150 × 4.6 mm id, 3.5 μm) column using 10 mM ammonium formate (pH 3.0)/methanol as a mobile phase in gradient elution mode at a flow rate of 0.6 mL/min. The method was extended to liquid chromatography quadrupole time‐of‐flight tandem mass spectrometry for identification and structural characterization of stress degradation products of ondansetron. The drug showed significant degradation in base hydrolytic and photolytic stress conditions in the liquid state, while it was found to be stable in neutral, acidic, thermal, and oxidative stress conditions. A total of five degradation products were characterized and most probable mechanisms for the formation of degradation products have been proposed on the basis of a comparison of the fragmentation of the [M + H]+ ions of the drug and its degradation products. Finally, the developed method was validated in terms of specificity, linearity, accuracy, precision, and robustness as per International Conference on Harmonisation guideline Q2 (R1).
Numerical and experimental analysis of the process of drawing wires of TRIP steel with a carbon content of 0.43% C, with single cross‐section reductions
Authors: Muskalski Z. , Wiewiórowska S.
Published: February 2015

Shown in the work numerical analysis the change of strain intensity and redundant strain, carried out with the use Drawing 2d programme based on finite elements method, allowed to determine the effect of the value of single total reduction during multistage wire drawing process on the TRIP effect and mechanical properties of drawn wires made from steel with 0.43% of carbon content.
iTRAQ proteomic analysis of N‐acetylmuramic acid mediated anti‐inflammatory capacity in LPS‐induced RAW 264.7 cells
Authors: Wu Zhen , Pan Daodong , Guo Yuxing , Zeng Xiaoqun , Sun Yangying
Published: February 2015

Lactobacillus acidophilus probiotic bacteria have lasting beneficial health effects in the gastrointestinal tract, including protecting against pathogens, improving immunomodulation, and producing beneficial bacteria‐derived molecules. In lipopolysaccharide (LPS) induced RAW 264.7 cells treated with peptidoglycan or N‐acetylmuramic acid (NAM) from L. acidophilus, 390 differentially expressed proteins (8.76%) were identified by iTRAQ analysis, 257 (5.77%) of which were upregulated and 133 (2.99%) were downregulated under LPS‐induced conditions. Most of these proteins were grouped into the following inflammation‐related cellular signaling: lysosome pathway, calcium signaling pathway, and Toll‐like receptor (TLR) signaling pathway. Among them, clathrin, SERCA, and interleukin 1 receptor antagonist were differentially expressed to a significant degree in peptidoglycan or NAM pretreated RAW 264.7 cells. Bioinformatics analysis indicated that NAM may mediate an anti‐inflammatory process via a Ca2+‐dependent NF‐κB pathway. These observations reveal new insights into the molecular mechanisms involved in the suppression of LPS‐induced macrophage inflammation by L. acidophilus.
Salivary proline‐rich proteins and gluten: Do structural similarities suggest a role in celiac disease?
Authors: Tian Na , Messana Irene , Leffler Daniel A. , Kelly Ciaran P. , Hansen Joshua , Cabras Tiziana , D'Alessandro Alfredo , Schuppan Detlef , Castagnola Massimo , Helmerhorst Eva J.
Published: February 2015

Purpose

Gluten proteins, the culprits in celiac disease (CD), show striking similarities in primary structure with human salivary proline‐rich proteins (PRPs). Both are enriched in proline and glutamine residues that often occur consecutively in their sequences. We investigated potential differences in the spectrum of salivary PRPs in health and CD.

Experimental design

Stimulated salivary secretions were collected from CD patients, patients with refractory CD, patients with gastrointestinal complaints but no CD, and healthy controls. PRP isoforms/peptides were characterized by anionic and SDS‐PAGE, PCR, and LC‐ESI‐MS.

Results

The gene frequencies of the acidic PRP isoforms PIF, Db, Pa, PRP1, and PRP2 did not differ between groups. At the protein level, PRPs peptides showed minor group differences, but these could not differentiate the CD and/or refractory CDs groups from the controls.

Conclusions and clinical relevance

This extensive study established that salivary PRPs, despite similarity to gluten proteins, show no apparent correlation with CD and thus will not serve as diagnostic markers for the disease. The structural basis for the tolerance to the gluten‐like PRP proteins in CD is worthy of further exploration and may lead to the development of gluten‐like analogs lacking immunogenicity that could be used therapeutically.
Characterization of Erythritol Tetranitrate Physical Properties
Authors: Matyáš Robert , Künzel Martin , Růžička Aleš , Knotek Petr , Vodochodský Ondřej
Published: February 2015

The article describes the molecular structure and fundamental physical properties of erythritol tetranitrate (ETN). Although ETN is simple nitrate ester this explosive is described in the literature relatively briefly. The molecular structure of ETN was characterized by single‐crystal X‐ray diffraction. The structure of the ETN molecule is composed of the central carbohydrate chain and two pairs of facing coplanar ONO2 groups. The crystal density of ETN is 1.827 g cm−3. It is a non‐hygroscopic compound. Solubility in water was determined in a temperature range from 5 °C to 80 °C. ETN is slightly soluble in water; solubility at 20 °C is on the same level as that of PETN.
Pre‐operative Functional Parameters of Patients Undergoing Total Knee Arthroplasty
Authors: Tambascia Rafael Andrade , Vasconcelos Rodrigo Antunes , Mello Wilson , Teixeira Paulo Portes , Grossi Debora Bevilaqua
Published: February 2015

Background and purpose

Total knee arthroplasty (TKA) has become the gold standard to manage pain and disability associated with knee osteoarthritis (KOA). There are no clear criteria on to determine when or who should undergo TKA. The creation of a pre‐operative profile that includes physical functional data may aid in the clinical decision‐making for the timing of TKA. Aim 1: to observe the pre‐operative functional profile of subjects with advanced KOA and to depict it according to gender. Aim 2: to assess the association between pain, self‐reported and performance‐based physical function outcomes.

Materials and methods

Study design: retrospective study. Physical functional data from 122 persons (89 women and 33 men) with end‐stage KOA were obtained through a database. Data consisted of height, weight, 6‐minute walk test (6MWT) and the deficit when compared with normative values, self‐visual analogue scale (VAS) after 6MWT and Western Ontario and McMaster Universities Index (WOMAC). Descriptive statistics were used to report the observed data; student t‐test and Mann–Whitney were used to compare gender groups. Spearman correlation was used to asses the association with the 6MWT, WOMAC and VAS.

Results

The mean (standard deviation) values of our sample for the WOMAC, 6MWT deficit and VAS were calculated. There was a significant difference between gender in the WOMAC score and pain intensity (VAS) after the 6MWT (p = 0.002; p = 0.01). Moderate to weak correlations between WOMAC score, VAS and 6MWT were found. Correlation values ranged from r = 0.23 to 0.48.

Conclusion

The current study suggests a functional profile for subjects who are scheduled to undergo TKA. Our results show that the correlations of self‐report and performance‐based measures of function and reported pain are poor. This enhances the idea of using all of these types of measures to establish the functional profile a sample of subjects with advanced KOA. Copyright © 2015 John Wiley & Sons, Ltd.
Lac‐Mégantic accident: What we learned
Authors: Lacoursière Jean‐Paul , Dastous Paul‐André , Lacoursière Stéphanie
Published: February 2015

A tragic train derailment in Lac‐Megantic, a small Quebec community caused 47 fatalities, the destruction of part of the town and huge cleaning costs. The Transportation Safety Board of Canada (TSB) has conducted an in‐depth investigation of the causes of Lac‐Mégantic accident and has formulated recommendations. The catastrophic consequences of the Lac‐Mégantic accident and the known increase over the last several years in rail transportation of Class 3 hazardous materials has made it clear, the need to review the existing regulations and industry practices to such transportation. Canada Transport Safety Board, U.S. National Transportation Safety Board, Transport Canada, U.S. Pipeline and Hazardous Material Safety Administration, and U.S. Federal Railroad Administration are working closely to upgrade rail transport regulations to prevent similar incidents from occurring. The tragedy in Lac‐Mégantic was not caused by one single person, action, or organization. Many factors played a role, and addressing the safety issues will take a concerted effort from regulators, railways, the Association of American Railroads, shippers, tank car manufacturers, and refiners in Canada and the United States. © 2014 American Institute of Chemical Engineers Process Saf Prog 34: 2–15, 2015
Studying the spatially resolved immobilisation of enzymes on a capacitive field‐effect structure by means of nano‐spotting
Authors: Beging Stefan , Leinhos Marcel , Jablonski Melanie , Poghossian Arshak , Schöning Michael J.
Published: February 2015

Conventional methods for enzyme immobilisation onto sensor surfaces often use dip‐, drop‐ or spin‐coating techniques. In this study, a nano‐spotting technique has been investigated for a patterned, spatially resolved deposition of enzymes onto a capacitive field‐effect electrolyte–insulator–semiconductor (EIS) sensor and compared with the drop‐coating method. Therefore, four different sensor arrangements covered with immobilised penicillinase as a model enzyme have been studied: (i) The sensor surface fully drop‐coated, (ii) half drop‐coated, (iii) half nano‐spotted and (iv) fully nano‐spotted with penicillinase. The sensors have been electrochemically characterised in pH buffers and penicillin solutions by means of impedance‐spectroscopy, capacitance–voltage and constant‐capacitance methods.
A fast charge‐Dependent atom‐pairwise dispersion correction for DFTB3
Authors: Petraglia Riccardo , Steinmann Stephan N. , Corminboeuf Clemence
Published: February 2015

Organic electronic materials remarkably illustrate the importance of the “weak” dispersion interactions that are neglected in the most cost‐efficient electronic structure approaches. This work introduces a fast atom‐pairwise dispersion correction, dDMC that is compatible with the most recent variant of self‐consistent charge density functional tight binding (SCC‐DFTB). The emphasis is placed on improving the description of π‐π stacked motifs featuring sulfur‐containing molecules that are known to be especially challenging for DFTB. Our scheme relies upon the use of Mulliken charges using minimal basis set that are readily available from the DFTB computations at no additional cost. The performance and efficiency of the dDMC correction are validated on examples targeting energies, geometries, and molecular dynamic trajectories. © 2014 Wiley Periodicals, Inc.