bluuebunny/crossref_metadata_2025 huggingface dataset:
Solution Characteristics for Adsorption of Copper Ion with Iron(III) Hydroxide from Aqueous Ammonia Solution
Authors: Luo Chien‐Shu , Huang Shang‐Da
Published: June 2015

The distribution of copper ion species in aqueous ammonia solution is evaluated as a function of pH by a numerical approach. Adsorption of copper on colloidal iron(III) hydroxide in solutions of total ammonia (0.14‐1.2 M) are performed at various values of pH. The maximum efficiency of adsorption occurs when the sum of the fractions of the species Cu(NH3)2+, Cu(NH3)22+ and Cu(NH3)32+ in the solution reaches its maximum. With varied solution pH, the distribution of copper species is the determining factor for maximum adsorption, whereas the surface properties of the adsorbing particles show smaller effects under the test conditions.
Asymmetric Synthesis of α‐Amino Acids from Glycine
Authors: Lu Shyue‐Sheng , Uang Biing‐Jiun
Published: June 2015

Enantioselective synthesis of optically active α‐amino acids from glycine via Schiff base employing (+)‐N,N‐diisopropyl‐10‐camphorsulfonamide as a chiral template is described.
Photochemistry of Quinoxalinobarrelenes and (Benzo[g]Quinoxalino)Barrelenes
Authors: Liao Chun‐Chen , Lin Sheng‐Yunn , Hsieh Hing‐Pang , Yang Paw‐Hwa
Published: June 2015

Irradiation of quinoxalinobarrelenes 3 and 4 afforded quinoxalinosemibullvalenes via vinyl‐vinyl and quinoxalino‐vinyl bridgings, the former being the major route. No reaction occurred upon prolonged irradiation of (benzo[g]quinoxalino)barrelenes 5 and 6.
Magnetic Properties and Mössbauer Spectra of Binuclear Copper(II) and Tetranuclear Diiron(III)‐porphyrin‐dicopper(II) Complexes with Schiff‐Base Ligands of 2‐lmidazolealdehyde and Acetylpyrazine
Authors: Sheu Jinn‐Fwu , Wei Ho‐Hsiang
Published: June 2015

The binuclear copper(II) and tetranuclear diiron(III)‐porphyrin‐dicopper(II) complexes with the Schiff‐base ligands of N,N′‐bis(2‐imidazolaldehyde)ethylenediimine, N,N′‐bis(2‐imidazolaldehyde)‐p‐phenyldiimine, N,N‐bis(acetylpyrazine)‐ethylenediimine and N,N′‐bis(acetylpyrazine)‐p‐phenyldiimine have been prepared and characterized. The magnetic data indicated that the spin ground states and the magneic interaction between Cu(II)‐Cu(II) or Fe(III)‐Cu(II) are dependent on the nature of the bridging ligands. A weak antiferromagnetic interaction between Fe(III) and Cu(II) is evident from the temperature‐dependent magnetic measurements. The Mössbauer spectra of iron(III) ‐porphyrin sites showed an asymmetric quadrupole doublet consistent with high‐spin iron(III) S = 5/2.
Structural Determination of the [4+2] Dimer of 2,3‐Dimethylene‐2,3‐Dihydrothiophene from Deuterium Labeling Study
Authors: Peng Chun‐Chieh , Lin Ya‐Chuan , Chou Chin‐Hsing
Published: June 2015

2,3‐Dimethylene‐2,3‐dihydrothiophene (1a), prepared by the flash vacuum pyrolysis of 3‐methyl‐2‐thienylmethyl benzoate (7a), rapidly dimerizes to form a [4 + 2] dimer 6. The structure of the [4+2] dimer 6 was confirmed by comparing its NMR spectrum with that of the [4 + 2] dimers from 2‐dideuteriomethylene‐3‐methylene‐2,3‐dihydrothiophene (1b) and 2‐methylene‐3‐dideuteriomethylene‐2,3‐dihydrothiophene (1c).
Nucleosides 4: Synthesis of 2′,3′‐Didehydro‐2′,3′‐dideoxydoridosine and 2′,3′‐Dideoxydoridosine as Potential Antihypertensive Agents
Authors: Chern Ji‐Wang , Lin Gwo‐Sen , Chen Chien‐Shu
Published: June 2015

To measure the hydrophobic character of the ribose moiety of doridosine on the adenosine receptors, 2′,3′‐didehydro‐2′,3′‐dideoxydoridosine (2) and 2′,3′‐dideoxydoridosine (3) were prepared. Initial treatment of doridosine with N,N‐dimethylformamide diethylacetal, and subsequently with tert‐butyldimethylsilyl chloride gave 5. Compound 5 was then reacted with 1,1′‐thiocarbonyldiimidazole and the resulting thionocarbonate 6 was heated with triethyl phosphite at 135°C to afford 7. Treatment of compound 7 with tetrabutylammonium fluoride and methanolic ammonia furnished compound 2 in good yield. Compound 2 was subjected to catalytic hydrogenation affording compound 3 in 85% yield.
An Efficient and Neutral Catalyst for the Ketalization of Carbonyl Compounds
Authors: Liu Hung‐Hsin , Chen Teng‐Yueh , Uang Biing‐Jiun
Published: June 2015

An efficient ketalization of aldehydes, ketones, and α,β‐unsaturated aldehydes using thiazolium salt 1 as a neutral catalyst is described.
A Chemist's View of BCS Theory for Low Tc Superconductivity and Its Relationship to Charge Transfer and High Tc Superconductivity
Authors: Chiu Ying‐Nan
Published: June 2015

Based on a chemist's understanding of electron transfer, attempts are made to interpret the physicists' BCS theory for low Tc superconductivity in terms of quantum chemical views. To show how to improve and apply some of the principles of the BCS theory for high Tc superconductors, especially those having to do with many‐body aspects of correlation, coherence and long‐range order, we (1) extend the two‐partner, donor‐acceptor electron transfer to large periodic systems with cyclic boundary conditions and with double‐well potentials beyond Peierls distortion. (2) introduce second‐order Jahn‐Teller stabilization and introduce vibronic mixing as configuration interaction. To take advantage of existing bonds in high Tc superconductors we propose a linear combination of bonding (two‐electron) geminals to form molecular bonding geminals which we call “Vibronic Geminals” after mixing with different running waves of bond structure vibrations. To take advantage of the valence bonds and double‐well potentials due to anti‐symmetric and other vibrations, we propose a ‘Covalon’ type model for the propagation and tunneling of such bonds which transform as Bosons.
Calculation of Vertical Ionization Potentials of Oxygen Difluoride, Difluoramine, and Difluoromethane by Local Density Approximation
Authors: Chong Delano P.
Published: June 2015

The vertical ionization potentials of OF2, HNF2, and CH2F2 were computed by the deMon density functional program. The results are compared with earlier calculations and with experiment. The average absolute deviation of the 21 computed ionization potentials of the outer valence electrons from experiment is 0.44 eV, which compares well with 0.37 eV for frozen‐orbital configuration‐interaction calculations. Although this performance is not as good as perturbation corrections to Koopmans' theorem, the computation requirements are much less demanding.
Enantioselective Synthesis of Naproxen
Authors: Duh Tsai‐Hui , Lin Sun‐Jin , Wang Yi‐Fong , Wu Ming‐Jung
Published: June 2015

The optically active naproxen was synthesized in good chemical yield and high optical purity starting from a chiral α‐ketoalcohol which was prepared from enzymatic resolution of the corresponding racemic acetate using lipase as a catalyst.
Application of Macrocylic Polyethers
Authors: Shih Jeng‐Shong
Published: June 2015

Artificial macrocyclic polyethers were synthesized and applied as ion‐selective electrode neutral carriers in PVC electrode membranes, ion‐chromatographic packing materials, extractants and adsorbents for ion separations, phase‐transfer catalysts for organic reactions, surfactants, liquid crystals and ion‐transport carriers through liquid membranes. Ion selective electrodes such as K+, Na+, UO22+, Cs+, Pb2+ and Fe3+, Hg2+ and Ag+ ion electrodes based on crown ether ‐ phosphotungstic acid (PW) precipitates and dithio crown ethers respectively were prepared and showed good sensitivity and selectivity. Crown ether ‐ PW precipitates were also applied as adsorbents for adsorptions of rare‐earth ions and some common heavy metal ions. Some rare‐earth ions were found to be easily extracted with crown ethers especially 15‐crown‐5. Poly(styrene/divinyl benzene)‐cryptand 22 resin was synthesized and applied as a bifunctional stationary phase of ion chromatography for separations of both cations and anions even some organic carboxylate geometric isomers A so called “drift‐type” crown ether catalyst and some common crown ether catalysts were applied to catalyze organic oxidation, reduction, substitution and anionic polymerization. The effect of salts on micellar formation and stability, of liquid crystals of some crown‐ether surfactants were investigated. Some special crown‐ether carriers were also prepared and applied for Na+, K+ and Mg2+ ion transport through liquid membranes.
Structural Chemistry of A(VOPO4)2·nH2O (A = Alkali, Alkaline‐Earth, and Transition Metals)
Authors: Lii Kwang‐Hwa
Published: June 2015

Crystals of layered phosphate hydrates A(VOP04)2·nH2O (A = metal cation) have been grown under bydrothermal conditions. All compounds except trihydrates Pb(VOP04)2·3H2O and Ni(VOP04)2·3H2O consist of layers of vanadium phosphorus oxide with metal cations and water molecules between the layers. The layer is a four‐connected net in which corner‐sharing vanadium oxygen polyhedra and phosphate tetrahedra alternate. Most phases crystallize in crystal symmetry lower than those prepared from redox intercalation reactions. Their crystal structures and the structural relationships with VOPO4·2H2O are discussed.
Kinetics and Mechanism of Dissociation Reactions of Open‐Chain and Macrocyclic Tetraamine Complexes of Copper(II)
Authors: Lan Wei‐Jen , Chung Chung‐Sun
Published: June 2015

The kinetics and mechanisms of dissociation reactions of open‐chain and macrocyclic tetraamine complexes of copper(II) in strongly acidic, aqueous media are reviewed. Possible pathways for cleavage of copper‐nitrogen bonds, factors influencing the dissociation rates, and the factors affecting the relative importance of each of these possible pathways are discussed. The varied kinetic behavior of the most closely correlated open‐chain and cyclic tetraamine complexes [namely (1,5,8,12‐tetraazadodecane)copper(II), Cu(3,2,3‐tet)2+, and (1,4,8,11‐tetraazacyclotetradecane)copper(II), Cu(cyclam)2+] indicates that ligand cyclization has a very large influence upon the rate constants for dissociation of complexes.
Tripodal Phosphine Ligands. Syntheses and Coordination Chemistry Toward Mn(I)
Authors: Liu Shiuh‐Tzung
Published: June 2015

The recent development of ligand syntheses and coordination chemistry‐toward manganese(I) involving tripodal phosphines is sumrnarized and discussed.
Triterpenoid Natural Products in the Fungus Ganoderma Lucidum
Authors: Shiao Ming‐Shi
Published: June 2015

Oxygenated lanostanoid triterpenes including multiple pairs of C‐3 stereoisomers and C‐3/C‐15 positional isomers were identified from the Chinese medicinal fungus Ganoderma lucidum (Fr.) Karst. Empirical rules based on the chromatographic behavior in reversed‐phase HPLC were developed to correlate the molecular polarities due to the presence of an individual functional group. 13C NMR correlation of stereochemistry in these oxygenated triterpenes was also achieved. Biosynthetic studies indicated that oxygenated triterpenes in the 3α series were derived from those in the 3β series through an oxidationreduction pathway. Several oxygenated triterpenes inhibited cholesterol synthesis in the in vitro assay. Ganodermic acid S induced platelet aggregation by stimulating the hydrolysis of phosphatidylinositol 4,5‐bisphosphate.
Molecular Biological Studies on Animal Growth Hormones
Authors: Chang Wen‐Chang , Pan Fu‐Ming
Published: June 2015

The pituitary growth hormone (GH) from various vertebrate species could be purified from crude pituitary extracts by a single‐step HPLC using a reverse‐phase C18 column. The same procedure was also useful for peptide mapping of proteins. Pharmacokinetic analysis of porcine GH revealed that it circulated in plasma with a half‐life of 2 h and that most injected GH was confined to blood and probably lymph, with a total body clearance of porcine GH around 8 ± 3 mL h−1 kg−1. Several GH have been sequenced by using cloning of their cDNA. The comparative analysis of these cDNA reveals the conserved structural characteristics for all vertebrate GH: 1. There are 2 disulfide bonds in the single polypeptide chain of the GH molecule which are supposedly necessary to maintain the native conformation of the hormone. 2. The invariant residues are predominantly located within the α‐helices which are also necessary to maintain the structural integrity but may not be required for species specificity. 3. The putative signal peptides of various GH deduced from the cDNA sequences show the general consensus pattern of hydrophobicity but exhibit no obvious sequence homology. These characteristics are in agreement with other signal peptides of most secretory proteins. A high‐level expression of porcine GH in E. coli was achieved by using some combination of promoter and transcriptional terminator. The expressed 22‐kDa GH was immunoreactive to the specific GH antibody and showed expected partial N‐terminal amino‐acid sequence.
International prevalence of the use of peripheral intravenous catheters
Authors: Alexandrou Evan , Ray‐Barruel Gillian , Carr Peter J. , Frost Steven , Inwood Sheila , Higgins Niall , Lin Frances , Alberto Laura , Mermel Leonard , Rickard Claire M.
Published: June 2015

Over a billion peripheral intravenous catheters (PIVCs) are inserted each year in hospitalized patients worldwide. However, international data on prevalence and management of these devices are lacking. The study assessed the prevalence of PIVCs and their management practices across different regions of the world. This global audit involved 14 hospitals across 13 countries, with 479 patients screened for the presence of a PIVC. We found 59% of patients had at least 1 PIVC in place, and 16% had other types of vascular devices. We also found that overall, 25% of patients had no vascular device in place. The majority of PIVCs were inserted by nursing staff or a specialist team. The prevalence of idle PIVCs in place with no fluid or medication orders was 16%, and 12% of PIVCs had at least 1 symptom of phlebitis. Journal of Hospital Medicine 2015;10:530–533. © 2015 Society of Hospital Medicine
Laser desorption ionization of small molecules assisted by tungsten oxide and rhenium oxide particles
Authors: Bernier Matthew C. , Wysocki Vicki H. , Dagan Shai
Published: June 2015

Inorganic metal oxides have shown potential as matrices for assisting in laser desorption ionization with advantages over the aromatic acids typically used. Rhenium and tungsten oxides are attractive options due to their high work functions and relative chemical inertness. In this work, it is shown that ReO3 and WO3, in microparticle (μP) powder forms, can efficiently facilitate ionization of various types of small molecules and provide minimized background contamination at analyte concentrations below 1 ng/µL. This study shows that untreated inorganic WO3 and ReO3 particles are valid matrix options for detection of protonatable, radical, and precharged species under laser desorption ionization. Qualitatively, the WO3 μP showed improved detection of apigenin, sodiated glucose, and precharged analyte choline, while the ReO3 μP allowed better detection of protonated cocaine, quinuclidine, ametryn, and radical ions of polyaromatic hydrocarbons at detection levels as low as 50 pg/µL. For thermometer ion survival yield experiments, it was also shown that the ReO3 powder was significantly softer than α‐cyano‐4‐hydroxycinnaminic acid. Furthermore, it provided higher intensities of cocaine and polyaromatic hydrocarbons, at laser flux values equal to those used with α‐cyano‐4‐hydroxycinnaminic acid. Copyright © 2015 John Wiley & Sons, Ltd.
Characterizing ion mobility and collision cross section of fatty acids using electrospray ion mobility mass spectrometry
Authors: Zhang Fang , Guo Su , Zhang Manyu , Zhang Zhixu , Guo Yinlong
Published: June 2015

This study investigated the ion mobility (IM) and the collision cross section (CCS) of fatty acids (FAs) using electrospray IM MS. The IM analysis of 18 FA ions showed intriguing differences among the saturated FAs, monounsaturated FAs, multi‐unsaturated FAs, and cis‐isomer/trans‐isomer with respect to the aliphatic tail chains. The length of aliphatic tail chain present in the ion structures had a strong influence on the differentiation of drift, while the number of double bond showed a weaker influence. The tiny drift differences between cis‐isomer and trans‐isomer were also observed. In the CCS measurements, two internal standards were involved in the mobility calibration and accuracy estimation. It insured our empirical CCS values were of high experimental precision (±0.35% or better) and accuracy (±0.25% or better). Moreover, the mass‐to‐charge ratio (m/z) – mobility plots obtained by ion mobility spectrometry with mass spectrometry analysis of FAs – was used to investigate the structural relationship between the molecules. Each series of FAs sharing a similar structure was aligned in the linear plot. Finally, the developed procedure was applied to the determination of FAs in rat adipose tissues, and it allowed the presence of 13 FAs to be confirmed with their exact masses and CCS values. These studies reveal the direct relationship between the behaviors in IM and the molecular structures and thus may provide further validations to the FA identification process. Copyright © 2015 John Wiley & Sons, Ltd.
Characterization of forced degradation products of pazopanib hydrochloride by UHPLC‐Q‐TOF/MS and in silico toxicity prediction
Authors: Patel Prinesh N. , Kalariya Pradipbhai D. , Sharma Mahesh , Garg Prabha , Talluri M. V. N Kumar , Gananadhamu S. , Srinivas R.
Published: June 2015

Pazopanib (PZ), an anti‐cancer drug, was subjected to forced degradation under hydrolytic (acid, base and neutral), oxidative, photolytic and thermal stress conditions as per International Conference on Harmonization guidelines. A selective stability indicating validated method was developed using a Waters Acquity UPLC HSS T3 (100 × 2.1 mm, 1.7 µm) column in gradient mode with ammonium acetate buffer (10 m m, pH 5.0) and acetonitrile. PZ was found to degrade only in photolytic conditions to produce six transformation products (TPs). All the TPs were identified and characterized by liquid chromatography/atmospheric pressure chemical ionization–quadrupole‐time of flight mass spectrometry experiments in combination with accurate mass measurements. Plausible mechanisms have been proposed for the formation of TPs. In silico toxicity was predicted using TOPKAT and DEREK softwares for all the TPs. The TP, N4‐(2,3‐dimethyl‐2H‐indazol‐6‐yl)‐N4‐methylpyrimidine‐2,4‐diamine, was found to be genotoxic, whereas all other TPs with sulfonamide moiety were hepatotoxic. The data reported here are expected to be of significance as this study foresees the formation of one potential genotoxic and five hepatotoxic degradation/transformation products. Copyright © 2015 John Wiley & Sons, Ltd.
Country variations in different innovation outputs: The interactive effect of institutional support and human capital
Authors: Kwan Letty Yan‐Yee , Chiu Chi‐yue
Published: June 2015

Innovation is of pivotal importance to economic growth in both developed and developing countries. The current research seeks to provide insights on how human and institutional factors interact to explain country variations in innovation. Using a multiple source, multinational database that covers a wide spectrum of innovation outputs in more than 120 economies in the world from 2011 to 2013, we for the first time examined both the concurrent and predictive associations of the interactive effects of human capital and institutional support with innovation output. Results showed that innovation output is a multi‐faceted construct, consisting of at least three aspects: knowledge creation, knowledge impact, and knowledge diffusion. Quality of human capital predicts knowledge creation; institutional support and human capital have additive effects on knowledge impact; and the presence of both human capital and institutional support is required for knowledge diffusion. These results extend past findings on the role of institutions and human capital in innovation and have important implications for national policies of innovation development. Copyright © 2015 John Wiley & Sons, Ltd.
Simulating topoclimatic data to support bioclimatic research in alpine environments: application and assessment of a mesoscale atmospheric model
Authors: Case Bradley S. , Zawar‐Reza Peyman , Tait Andrew
Published: June 2015

Many bioclimatic modelling efforts are based on the use of gridded climatic datasets that inadequately account for topoclimatic effects. We evaluate a mesoscale atmospheric model, TAPM, as an alternative means of generating spatially explicit topoclimatic data applicable to small scale (200‐m resolution) bioclimatic research. Temporal and spatial assessments of TAPM were carried out across New Zealand's mountains. First, goodness‐of‐fit analyses of TAPM‐simulated meteorology against three weather station observations for January and July, 2001–2007, were carried out. Second, TAPM‐simulated January/July mean daily temperature extremes and wind speeds were compared against interpolated climate grid data for approximately 37 000 grid cells across New Zealand. Third, deviations of TAPM‐simulated data from the gridded climate dataset baseline were modelled against GIS‐derived landscape position in order to quantify the nature and extent of topoclimatic effects. Temporal assessments indicated that TAPM provided reasonably accurate simulations for hourly temperatures and wind speeds, moderately good estimates for solar radiation and poor estimates for humidity. On the whole, the greatest simulation errors occurred for daily extreme values. Relative to the climate grid baseline, TAPM‐simulated temperatures and wind speeds were also relatively unbiased. However, TAPM‐simulated values varied widely around climate grid values, and these deviations were significantly related to landscape position. The relative congruence of simulation biases across time and space suggests that uncertainties are systematic and inherent to the model architecture rather than due to location‐related variability. While results suggest caution in using TAPM to simulate daily extremes, biases may be less problematic for studies where relative differences in topoclimate across locations are of interest. Topoclimatic effects appear pervasive across New Zealand's mountain systems and are predictable as a function of topography. On the basis of our results, further investigations into the use of mesoscale atmospheric models to generate topoclimate data in support of research in mountainous areas are merited.
In vitro effects of glutamate and N‐methyl‐d‐aspartate receptor (NMDAR) antagonism on human tendon derived cells
Authors: Dean Benjamin John Floyd , Snelling Sarah J.B. , Dakin Stephanie Georgina , Javaid Muhammad Kassim , Carr Andrew Jonathan
Published: June 2015

It is known that extracellular glutamate concentrations are increased in tendinopathy but the effects of glutamate upon human tendon derived cells are unknown. The primary purpose was to investigate the effect of glutamate exposure on human tendon‐derived cells in terms of viability, protein, and gene expression. The second purpose was to assess whether NMDAR antagonism would affect the response of tendon‐derived cells to glutamate exposure. Human tendon‐derived cells were obtained from supraspinatus tendon tissue obtained during rotator cuff repair (tendon tear derived cells) and from healthy hamstring tendon tissue (control cells). The in vitro impact of glutamate exposure and NMDAR antagonism (MK‐801) was measured using the Alamar blue cell viability assay, immunocytochemistry, and quantitative real‐time PCR. Glutamate reduced cell viability at 24 h in tendon tear derived cells but not in control cells at concentrations of 7.5 mM and above. Cell viability was significantly reduced after 72 h of 1.875 mM glutamate in both cell groups; this deleterious effect was attenuated by NMDAR antagonism with 10 µM MK‐801. Both 24 and 72 h of 1.875 mM glutamate exposure reduced Type 1 alpha 1 collagen (COL1A1) and Type 3 alpha 1 collagen (COL3A1) gene expression, but increased Aggrecan gene expression. We propose that these effects of glutamate on tendon derived cells including reduced cell viability and altered matrix gene expression contribute to the pathogenesis of tendinopathy. © 2015 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 33:1515–1522, 2015.
Incorporation of diagnostic laparoscopy in the management algorithm for patients with peritoneal metastases: A multi‐institutional analysis
Authors: Tabrizian Parissa , Jayakrishnan Thejus T. , Zacharias Anthony , Aycart Samantha , Johnston Fabian M. , Sarpel Umut , Labow Daniel M. , Turaga Kiran K.
Published: June 2015

Introduction

Diagnostic laparoscopy (DL), which can predict complete cytoreduction (CC), is often considered unfeasible in patients with Peritoneal metastases (PM) due to a hostile abdomen, prior surgeries, incomplete assessment or risk of port site recurrence. We hypothesized that DL can be successfully incorporated into the management of patients with PM.

Methods

Retrospective review and data analysis of prospectively maintained databases from two high volume institutions was performed between 2007 and 2013.

Results

DL was successfully completed in 211/217 (92.6%) patients with PM. The technique for entry was the Hasson in 57%, optical trocar in 38% and Veress needle in 5%. Serosal injury from DL occurred in one patient (0.4%). Predominant histology included appendiceal (40%) and colorectal primaries (34%). Exclusion from cytoreduction by DL occurred in 68 (31.3%). Among those excluded, 7 (of 68, 10.3%) subsequently underwent CRS + HIPEC after receiving systemic chemotherapy. Overall survival (from laparoscopy) for those that underwent CRS + HIPEC at the original operation was 36 versus 12.7 months among those who were excluded by laparoscopy. There were no cases of port site recurrence.

Conclusion

Diagnostic laparoscopy can be safely incorporated in the management of patients with peritoneal metastases, and can be especially beneficial in excluding patients from attempted incomplete cytoreduction. J. Surg. Oncol. 2015 111:1035–1040. © 2015 Wiley Periodicals, Inc.
Trip Cultural Activities and Tourism Expenditure in Emerging Urban‐cultural Destinations
Authors: Pulido‐Fernández Juan Ignacio , Cárdenas‐García Pablo Juan , Carrillo‐Hidalgo Isabel
Published: June 2015

Although tourism expenditure is determined by different factors, the literature has not analysed the extent to which trip cultural activities affect tourism expenditure in the destination. The focus of this paper is a microeconomic analysis performed in 14 emerging urban‐cultural destinations in Andalusia (Spain). The results confirm that there are activities related to cultural visits, attendance at events or gastronomic activities that determine tourism expenditure. These results guide the implementation of specific actions by the policy‐makers in these destinations aimed at increasing the economic impact of tourism, based on the creation of high value‐added tourism products to overcome their mere dependence on built heritage. Copyright © 2015 John Wiley & Sons, Ltd.
Kinetic Screening for the Acid‐Catalyzed Hydrolysis of Some Hydrophobic Fe(II) Schiff Base Amino Acid Chelates and Reactivity Trends in the Presence of Alkali Halide and Surfactant
Authors: Nassr Lobna Abdel‐Mohsen E. , Abu‐Dief Ahmed M.
Published: June 2015

Kinetics of acid‐catalyzed hydrolysis of some high‐spin Fe(II) Schiff base amino acid complexes were followed spectrophotometrically at 298 K under pseudo–first‐order conditions. The studied ligands were derived from the condensation of 5‐bromosalicylaldehyde with different four amino acids (phenylalanine, aspartic acid, histidine, and arginine). The acid hydrolysis reaction was studied in aqueous media and in the presence of different concentrations of the alkali halide (KBr) and cationic surfactant (cetyl‐trimethyl ammonium bromide, CTAB). The general rate equation was suggested to be rate = kobs[complex], where kobs = k2[H+]. The increase in [KBr] enhances the reactivity of the reaction, and the addition of CTAB to the reaction mixture accelerates the reaction reactivity. The obtained kinetic data were used to determine the values of δmΔG# (the change in the activation barrier) for the studied complexes when transferred from “water to water containing different [KBr]” and from “water to water containing altered [CTAB].”
Stream oxygen flux and metabolism determined with the open water and aquatic eddy covariance techniques
Authors: Koopmans Dirk J. , Berg Peter
Published: June 2015

We quantified oxygen flux in a coastal stream in Virginia using a novel combination of the conventional open water technique and the aquatic eddy covariance technique. The latter has a smaller footprint (sediment surface area that contributes to the flux; ∼ 10 m2), allowing measurements to be made at multiple sites within the footprint of the open water technique (∼ 1000 m2). Sites included an unvegetated stream pool with cohesive sediment, a macrophyte bed with sandy sediment, and an unvegetated sand bed with rippled bedforms. Nighttime eddy covariance oxygen uptake was always smaller than uptake produced by the open water technique. At the pool and unvegetated sand bed sites, nighttime eddy covariance uptake was 20‐fold smaller than open water uptake. At the macrophyte bed site, gross primary production quantified with the two techniques was similar but eddy covariance uptake was 2.4‐fold smaller. The difference in oxygen uptake between eddy covariance and open water techniques could not be accounted for by uncertainties in the gas transfer velocity but could be accounted for by anoxic groundwater inflow through stream banks outside of the eddy covariance footprint. Nighttime oxygen uptake was also measured with eddy covariance in a tidal freshwater part of the stream, where pore space in the sandy sediment near the sediment–water interface was flushed with stream water at peak water velocities. As a result of this advective hyporheic exchange, nighttime oxygen flux increased fourfold with a doubling of water velocity.
Multiple environmental changes induce interactive effects on bacterial degradation activity in the Arctic Ocean
Authors: Piontek Judith , Sperling Martin , Nöthig Eva‐Maria , Engel Anja
Published: June 2015

The Arctic Ocean faces multiple environmental changes induced by climate change on both global and regional scale. In addition to global changes in seawater temperature and pH, Arctic waters receive organic matter enrichment due to increasing pelagic primary production, enhanced sea ice melting and increasing terrestrial carbon loads. We experimentally tested individual and combined effects of warming, acidification and organic matter amendment on growth, biomass production and extracellular enzyme activities of bacterioplankton in Fram Strait during early summer. Results reveal pH optima of 6.7–7.6 for extracellular leucine‐aminopeptidase and below pH 6.0 for beta‐glucosidase in the West Spitsbergen Current. These optima well below the current seawater pH imply increasing hydrolytic activity with ongoing ocean acidification. However, the new synthesis of extracellular enzymes during 4‐d incubations obscured the biochemical pH effects. Elevated temperature and carbohydrate supply had strongly interactive effects on bacterial biomass production in both Atlantic Water of the West Spitsbergen Current and Polar Water of the East Greenland Current. Activation energies ranged from 45 kJ mol−1 to 52 kJ mol−1 at in situ substrate concentration, while substantially higher values of 122–174 kJ mol−1 could be estimated from incubations with carbohydrate addition. The net loss of total amino acids in carbohydrate‐amended incubations was significantly reduced at elevated temperature in all experiments, suggesting enhanced de novo synthesis. Our findings show that the complexity of combined effects must be considered to better assess the potential of climate change to alter biogenic carbon and energy fluxes in marine systems.
Methane transport through submarine groundwater discharge to the North Pacific and Arctic Ocean at two Alaskan sites
Authors: Lecher Alanna L , Kessler John , Sparrow Katy , Garcia‐Tigreros Kodovska Fenix , Dimova Natasha , Murray Joseph , Tulaczyk Slawek , Paytan Adina
Published: June 2015

Here, we quantify the flux of methane to the coastal Arctic and North Pacific Oceans via submarine groundwater discharge (SGD), by use of naturally occurring radium isotopes as groundwater tracers, combined with methane concentration measurements of coastal groundwater. Our findings indicate the flux of methane through this process is much greater in the coastal North Pacific (35 ± 27 mg m−1 d−1) than the Arctic Ocean (4.1 ± 0.6 to 11.8 ± 3.9 mg m−1 d−1). The dominant controls on methane flux through SGD were not methane concentrations in the aquifer but rather the hydrologic characteristics of each site that mitigated or intensified the SGD water volume flux (120 ± 50 m3 m−1 d−1 in the North Pacific compared to 12 ± 4 m3 m−1 d−1 in the Arctic). Tidal pumping was observed to be an especially important control on SGD flux at the North Pacific site.
Trophic position estimates of marine teleosts using amino acid compound specific isotopic analysis
Authors: Bradley Christina J. , Wallsgrove Natalie J. , Choy C. Anela , Drazen Jeffrey C. , Hetherington Elizabeth D. , Hoen Danielle K. , Popp Brian N.
Published: June 2015

The increasing use of trophic position (TP) for assessing and describing ecosystems has resulted in the emergence of novel techniques for accurate and accessible measurements. The strength of amino acid compound specific nitrogen isotopic analysis (AA‐CSIA) lies in its ability to determine TP using a single organism, utilizing the isotopic differences between two or more amino acids (AAs). However, calculating TP from this technique relies upon the predictability of isotopic differences across consumer types and consistency among ecosystems. The goal of this study was to use wild samples to evaluate 15N enrichment between AA groups with differing trophic fractionation patterns, termed the trophic discrimination factor (TDFAA), and determine an accurate value for calculating TPs of marine teleosts. Using a large sample size (224 samples of 47 species) across a broad range of TPs (2.0–4.5, estimated by stomach content analysis [SCA]) and marine ecosystems, we derived TDFAA values that explained up to 80% of the variability between TP calculations from SCA and AA‐CSIA. We found a TDFAA value of 5.7 ± 0.3‰ using the difference between δ15N values of glutamic acid and phenylalanine, 2‰ lower than the most commonly used value of 7.6 ± 1.3‰. The weighted mean of several AAs resulted in the same value for TDFAA, but provided greater agreement with TPs from SCA. For more reliable TP calculations in marine teleosts, our results strongly advocate a lower TDFAA and the use of weighted mean AA δ15N values from triplicate analyses.
Direct Equilibration and Characterization of Polymer Melts for Computer Simulations
Authors: Moreira Livia A. , Zhang Guojie , Müller Franziska , Stuehn Torsten , Kremer Kurt
Published: June 2015

Topological constraints due to chain connectivity and uncrossability greatly impact the long time dynamics and rheology of high molecular weight polymer melts. Computer simulations to study properties of such melts are very advantageous, since perfect control of molecular conformation and melt morphology is available. We present a methodology to prepare well‐equilibrated polymer melts which only requires local relaxation. The approach efficiently leads to equilibrated ensembles of bead‐spring polymer melts of 1 000 chains of up to 2 000 beads, which correspond to 24 (fully flexible) and 45 entanglement lengths (semi‐flexible chains). Entanglements are identified by a primitive path analysis and a master curve of the entanglement lengths for different chain and persistence lengths is presented.
Parallel Monte Carlo Simulation of Molecular Weight Distribution and Chemical Composition Distribution for Copolymerization on a Graphics Processing Unit Platform
Authors: Weng Jinzu , Chen Xi , Yao Zhen , Biegler Lorenz T.
Published: June 2015

Polymers can be used in diverse applications in daily life because of their various microstructures. Molecular weight distribution and chemical composition distribution are the two most important microstructural indices for many copolymers. Monte Carlo simulation is an efficient method to obtain those specific distributions that cannot be easily determined via traditional equation‐based methods. However, this method requires long computation time. In this project, a parallel method is proposed for Monte Carlo simulation on a graphics processing unit platform. Both steady state and dynamic state cases are presented to show the accuracy and efficiency of the proposed method. The computation time of the proposed method is greatly decreased by at least 30‐fold compared with the time required by CPU platform.
Role of EGFR expression levels in the regulation of integrin function by EGF
Authors: Vial Daniel , McKeown‐Longo Paula J.
Published: June 2015

Activation of β1 integrins in dormant tumor cells has been linked to metastatic progression, suggesting that therapies designed to maintain β1 integrins in an inactive state may be useful in the prevention of metastatic disease. Our earlier studies have demonstrated that EGF regulates the activation state of the α5β1 integrin in EGFR overexpressing tumor cells through an ERK/p90RSK signaling pathway. Activation of this pathway by EGF resulted in the filamin A dependent inactivation of the α5β1 integrin receptor for fibronectin. The current study was designed to address the role of EGFR overexpression in the regulation of α5β1 integrin activation state by EGF. Lentiviral knockdown of EGFR coupled with limited dilution cloning was used to develop A431 squamous carcinoma cell lines expressing high, moderate, and low levels of EGFR. Inactivation of α5β1 integrin by EGF was shown to correlate with both the level of EGFR expression and the extent of p90RSK phosphorylation, but not with the level of ERK phosphorylation, suggesting that high levels of EGFR promote α5β1 integrin inactivation through sustained activation of p90RSK. Treatment of cells with EGFR kinase inhibitor resulted in a reactivation of the integrin which could be reversed with the phosphatase inhibitor, menadione. Taken together, these findings indicate that p90RSK may function to maintain dormancy in tumor cells expressing high levels of EGFR. © 2015 Wiley Periodicals, Inc.
Clozapine Treatment for Impulse Control Disorders in Parkinson's Disease Patients: A Case Series
Authors: Liang John , Groves Mark , Shanker Vicki L.
Published: June 2015

Impulse control disorders (ICDs) are nonmotor complications of dopaminergic medications characterized by problems in behavioral self‐control. Common management involves discontinuing or lowering dopaminergic medication, often producing motor worsening. We performed a retrospective chart review of Parkinson's disease (PD) patients treated with clozapine for ICDs. Four patients treated with clozapine for ICD were identified. Three patients were men. All 4 took dopaminergic medications at the time that ICDs developed; all received dopamine agonist therapy. ICDs included compulsive shopping, binge drinking, and hypersexuality. All 4 patients had complete resolution of symptoms while taking clozapine (12.5–37.5 mg). Two patients discontinued clozapine because of side effects. Larger studies are needed to further evaluate clozapine's role in treating PD patients with ICD.
Do Managers Matter? Manager Effects on Organization Performance
Authors: Hall Curtis M. , Pedace Roberto
Published: June 2015

In this study, we examine how pre‐managerial experience and performance relates to managerial success. Some prior research has documented that managers contribute to organization performance, but the link between specific manager characteristics and performance has been dubious because data about managers' prior work history are typically quite limited. We overcome this limitation by examining our research question in the context of Major League Baseball, where data on pre‐managerial work history are available for a large subset of managers. This allows us to focus on two questions that have not been adequately addressed in prior studies. First, does success prior to becoming a manager translate into success as a manager? Second, what is the relative importance of measurable versus unobservable manager characteristics on performance? Copyright © 2015 John Wiley & Sons, Ltd.
Global existence and asymptotic behavior of solution for Rosenau equation with Stokes damped term
Authors: Wang Shubin , Su Xiao
Published: June 2015

We study the small‐data Cauchy problem for n‐dimensional Stokes damped Rosenau equation. Under some assumptions, we prove the global existence and uniqueness of the small‐amplitude solution by utilizing the contraction mapping principle and study the asymptotic behavior of the solution. Copyright © 2015 John Wiley & Sons, Ltd.
An identification method to estimate surface shortwave fluxes on temperature and thickness observations of sea ice in CHINARE 2006
Authors: Lv Wei , Feng Enmin
Published: June 2015

In this paper, a parameter identification method to determine surface shortwave fluxes using temperature and thickness measurements of sea ice in CHINARE 2006 is presented. Adopting a new standard for the calculation of the thermodynamic properties of seawater named TEOS‐10, the surface shortwave fluxes are calculated by the temperature and thickness observations that were measured at Nella Fjord around Zhongshan Station, Antarctica. New simulations for temperature profiles in a different measurement period are performed by three parameterization schemes including the present method, Zillman and Shine. All numerical results are compared with in situ measurements. Results show that better simulations of the surface shortwave radiations and temperature distributions are possible with the identification method than Zillman and Shine. Therefore this method is valid, and the obtained shortwave radiation function can be applied in sea ice modeling. Copyright © 2015 John Wiley & Sons, Ltd.
When Polymer Reaction Engineers Play Dice: Applications of Monte Carlo Models in PRE
Authors: Brandão Amanda L. T. , Soares João B. P. , Pinto José Carlos , Alberton André L.
Published: June 2015

Monte Carlo methods are heuristic algorithms that use probabilities to select an outcome among several possible events in a given process. Monte Carlo methods are useful in polymer reaction engineering because they can predict the molecular architecture of polymers with details that cannot be easily captured by any other modeling technique. One of the advantages of Monte Carlo simulation is that one does not need to solve differential or algebraic equations to predict the microstructures of polymers. This article reviews the literature on steady‐state and dynamic Monte Carlo methods in polymer reaction engineering. We hope to convince the readers that playing dice regularly can be a great asset to polymer reactors engineers.
Als das Unmögliche noch möglich erschien
Authors: Ruthenberg Klaus
Published: June 2015

Vor welche Probleme die Entdeckung und Erforschung der Radioaktivität die Chemiker bei der Elementdefinition stellte, zeigen exemplarisch die Arbeiten Friedrich Paneths zur chemischen Transmutation. Seine Experimente entstanden zu einer Zeit, als die kalte Fusion als chemisch machbar galt.
Barock im Licht
Authors: Romund Stefanie
Published: June 2015

Ende August startet die GDCh in Dresden ihr viertägiges Wissenschaftsforum “Chemie verbindet”. Das Programm mit Vorträgen, Gesprächen sowie kulturellen Aktivitäten steht dieses Mal in Verbindung mit dem Internationalen Jahr des Lichts und hat deshalb die Physik als Partner.
Afrikas Genome
Authors: Groß Michael
Published: June 2015

Die Erforschung menschlicher Genome hat lange den afrikanischen Kontinent vernachlässigt. Dabei gibt es gute Gründe, sich mit den dortigen Genomen zu beschäftigen. Sie sind vielfältiger als die anderer Kontinente und zeigen einige Besonderheiten, die der medizinischen Forschung Erkenntnisse liefern.
Module für Moleküle: Trends im Chemieanlagenbau
Authors: Rübberdt Kathrin
Published: June 2015

Die Vision: Ein Chemiewerk aus Containern, die per Lkw, Schiff oder Zug an den Standort gebracht werden und binnen Stunden den Betrieb aufnehmen.
Von Automation bis Umweltschutz
Authors: Romund Stefanie
Published: June 2015

Die Achema 2015, die 31. internationale Messe der Prozessindustrie, findet Mitte Juni in Frankfurt am Main statt. Neben den Ausstellern kann der Besucher an den Praxisforen, Kongressen, Diskussionen, Werksbesichtigungen und weiteren Veranstaltungen teilnehmen. Diesjährige Schwerpunkte sind Bioökonomie, Prozessanalytik und industrielles Wassermanagement.
Kulturen beim Wachsen zusehen
Authors: Frank David , Herzog Konrad
Published: June 2015

Informationen über den Verlauf einer mikrobiellen Fermentation liefert die Zelldichte als analytischer Parameter. Die Messung ist nun auch bei Schüttelkolben automatisiert und nichtinvasiv möglich.
Chemiestudium — ja oder nein?
Authors: Hachmann Anne
Published: June 2015

Was kommt im Chemiestudium auf mich zu? Passt das Studium zu mir? Kann ich den Anforderungen gerecht werden? Auf diese und andere Fragen versprechen Online‐Tests Antworten.
Decoupled two‐grid finite element method for the time‐dependent natural convection problem I: Spatial discretization
Authors: Zhang Tong , Yuan JinYun , Si ZhiYong
Published: June 2015

In this article, a decoupled two grid finite element method (FEM) is proposed and analyzed for the nonsteady natural convection problem using the coarse grid numerical solutions to decouple the nonlinear coupled terms, and the corresponding optimal error estimates are derived. Compared with the standard Galerkin FEM and the usual two‐grid FEM, our algorithm not only keeps good accuracy but also saves a lot of computational cost. Some numerical examples are provided to verify the performances of the decoupled two‐grid FEM. Both theoretical analysis and numerical experiments show the efficiency and effectiveness of the decoupled two‐grid FEM for the nonsteady natural convection problem. © 2015 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 31: 2135–2168, 2015
Association rule mining in the US Vaccine Adverse Event Reporting System (VAERS)
Authors: Wei Lai , Scott John
Published: June 2015

Purpose

Spontaneous adverse event reporting systems are critical tools for monitoring the safety of licensed medical products. Commonly used signal detection algorithms identify disproportionate product–adverse event pairs and may not be sensitive to more complex potential signals. We sought to develop a computationally tractable multivariate data‐mining approach to identify product–multiple adverse event associations.

Methods

We describe an application of stepwise association rule mining (Step‐ARM) to detect potential vaccine‐symptom group associations in the US Vaccine Adverse Event Reporting System. Step‐ARM identifies strong associations between one vaccine and one or more adverse events. To reduce the number of redundant association rules found by Step‐ARM, we also propose a clustering method for the post‐processing of association rules.

Results

In sample applications to a trivalent intradermal inactivated influenza virus vaccine and to measles, mumps, rubella, and varicella (MMRV) vaccine and in simulation studies, we find that Step‐ARM can detect a variety of medically coherent potential vaccine‐symptom group signals efficiently. In the MMRV example, Step‐ARM appears to outperform univariate methods in detecting a known safety signal.

Conclusions

Our approach is sensitive to potentially complex signals, which may be particularly important when monitoring novel medical countermeasure products such as pandemic influenza vaccines. The post‐processing clustering algorithm improves the applicability of the approach as a screening method to identify patterns that may merit further investigation. Copyright © 2015 John Wiley & Sons, Ltd.