bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Recent Advances in the Synthesis of Quinolines: A Review
Authors: Prajapati Shraddha M. , Patel Kinjal D. , Vekariya Rajesh H. , Panchal Shyamali N. , Patel Hitesh D.
Published: October 2014

Review: recent advances in the synthesis of quinoline derivatives by eco‐friendly, green and clean protocols; 57 refs.
ChemInform Abstract: Haloalkynes: A Powerful and Versatile Building Block in Organic Synthesis
Authors: Wu Wanqing , Jiang Huanfeng
Published: October 2014

Review: 59 refs.
ChemInform Abstract: Toxic Gas Removal — Metal—Organic Frameworks for the Capture and Degradation of Toxic Gases and Vapours
Authors: Barea Elisa , Montoro Carmen , Navarro Jorge A. R.
Published: October 2014

Review: 50 refs.
ChemInform Abstract: Metabolic Engineering: The Ultimate Paradigm for Continuous Pharmaceutical Manufacturing
Authors: Yadav Vikramaditya G. , Stephanopoulos Gregory
Published: October 2014

Review: [32 refs.
Assessment of relative bioavailability of two presentations of moroctocog alfa (AF‐CC) in subjects with moderately severe or severe hemophilia A
Authors: Shafer Frank , Charnigo Robert J. , Plotka Anna , Baumann James , Liang Yali , Korth‐Bradley Joan
Published: October 2014

An open‐label, single‐dose, randomized, two‐period, cross‐over study comparing the pharmacokinetics of factor VIII activity in plasma (FVIII:C) after administration of a new presentation of moroctocog alfa containing 3,000 IU in a dual‐chamber syringe and the combined contents of approved 1,000 and 2,000 IU vials was conducted in 16 male subjects who had moderately severe or severe hemophilia A (FVIII:C ≤2 IU/dL). Blood samples were collected for 72 hours after administration of the dose. FVIII:C were assayed using a chromogenic substrate assay in a central laboratory. The FVIII:C pharmacokinetic parameters were calculated using noncompartmental analysis. The dual‐chamber syringe would be bioequivalent to the combined contents of the vials if the 90% confidence limits of the ratio of the geometric mean values of AUCinf, and Cmax fell within the interval of 80–125%. The bioequivalence criteria were met. A total of seven treatment related adverse events were observed in a total of five subjects. All were mild and none was determined to be related to administration of study medication.
Self‐Assembled Squalene‐based Fluorescent Heteronanoparticles
Authors: Borrelli Stella , Cartelli Daniele , Secundo Francesco , Fumagalli Gaia , Christodoulou Michael S. , Borroni Ambra , Perdicchia Dario , Dosio Franco , Milla Paola , Cappelletti Graziella , Passarella Daniele
Published: October 2014

The preparation of fluorescent nanoparticles containing squalenoyl–paclitaxel and a squalene‐based fluorescein derivative is presented. The formation of self‐assembled heteronanoparticles was confirmed by using the quasielastic light scattering (QELS) technique. The internalization in A549 human lung carcinoma cells was verified by microscopy analysis. Finally, paclitaxel in nanoassemblies maintains its ability to target microtubules.
Phosphorus‐based Bifunctional Organocatalysts for the Addition of Carbon Dioxide and Epoxides
Authors: Werner Thomas , Büttner Hendrik
Published: October 2014

Bifunctional phosphonium salts were synthesized and employed as organocatalysts for the atom efficient synthesis of cyclic carbonates from CO2 and epoxides for the first time. These catalysts were obtained in high yields by a modular, straightforward one‐step synthesis. The hydrogen‐bond donating alcohol function in the side chain leads to a synergistic effect accelerating the catalytic reaction. The desired cyclic carbonates are obtained in high yields and selectivity under solvent‐free reaction conditions without the use of any co‐catalyst. Under optimized reaction conditions various epoxides were converted to the corresponding cyclic carbonates in excellent yields. The products were obtained analytically pure after simple filtration over a silica gel pad. This protocol is even applicable for a multigram reaction scale. Moreover, the catalysts could be easily recovered and reused up to five times.
Carbon Dioxide Adsorption in Amine‐Functionalized Mixed‐Ligand Metal–Organic Frameworks of UiO‐66 Topology
Authors: Ethiraj Jayashree , Albanese Elisa , Civalleri Bartolomeo , Vitillo Jenny G. , Bonino Francesca , Chavan Sachin , Shearer Greig C. , Lillerud Karl Petter , Bordiga Silvia
Published: October 2014

A series of mixed‐ligand [1,4‐benzenedicarboxylic acid (BDC)/2‐amino‐1,4‐benzenedicarboxylic acid (ABDC)] UiO‐66 metal–organic frameworks (MOFs) synthesized through two different methods (low (LT) and high temperature (HT)) have been investigated for their carbon dioxide adsorption properties from 0 to 1 bar to clarify the role of amino loading on carbon dioxide uptake. Volumetric CO2 isotherms show that the CO2 capacity (normalized to the Langmuir surface area) increases with a degree of functionalization of about 46 %; for similar NH2 contents, the same values are found for both synthetic procedures. Microcalorimetric isotherms reveal that amino‐functionalized materials have a larger differential heat of adsorption (qdiff) towards CO2; reaching 27(25) and 20(22) kJ mol−1 on HT(LT)‐UiO‐66‐NH2 and UiO‐66, respectively, at the lowest equilibrium pressures used in this study. All experimental results are supported by values obtained through quantum mechanical calculations.
Design and simulation of novel amplifier‐based mixer for ISM band wireless applications
Authors: Jin Jie , Wang Chunhua , Sun Jingru , Du Sichun
Published: October 2014

This letter describes a low‐voltage low‐power (LV‐LP) 2.4‐GHz mixer for Industrial, Scientific and Medical (ISM) band wireless applications. The approach is based on a two‐stage amplifier, and the Gilbert switch stage is inserted between the two amplifier stages. The proposed amplifier‐based mixer delivers a remarkable conversion gain of 13 dB with a local oscillator (LO) power of 7 dBm, while consuming only 1.05‐mW DC power from a 0.8‐V supply voltage. The input‐referred third‐order intercept point (IIP3) of the mixer is 3.82 dBm, and the chip area is only 0.429 mm2. The results indicate that this mixer is suitable for the low‐voltage low‐power applications. Copyright © 2014 John Wiley & Sons, Ltd.
900 MHZ radio‐frequency identification rectifier with optimization and reusing of electro‐static discharges protections in 180 nm digital CMOS technology
Authors: Boni Andrea , Bigi Marco
Published: October 2014

Sensitivity and electro‐static discharges (ESD) protection level are crucial parameters for any Ultra High‐Frequency (UHF) power rectifier–harvester designed for radio‐frequency identification (RFID) devices. While sensitivity limits the reading range of the interrogator‐to‐tag communication link, the requirement for an adequate protection against ESD is enforced in commercial devices connected to a printed antenna. Both resistive and capacitive parasitics of the protection circuits severely affect RF performance of the device. In the paper, a rectifier for UHF RFID embedding an ESD protection for 2 kV human‐body discharge model (HBM) level is proposed. The target of a low added parasitic capacitance is achieved by adapting the protection circuit to the RFID rectifier and reusing the ESD clamp for additional functions being mandatory in a UHF RFID front end. The layout of the ESD clamp has been optimized for minimum parasitic resistance without sacrificing the protection level. Two UHF harvesters were implemented in a 180 nm digital complementary metal‐oxide semiconductor (CMOS) technology, featuring a minimum sensitivity of −15.5 dBm with an ESD protection level of 2 kV HBM. Copyright © 2014 John Wiley & Sons, Ltd.
Langmuir Probe in Non‐Maxwellian Plasma: Correlation Between the Electron Energy Distribution Function, the Ion Energy at the Sheath Edge and the Floating Voltage
Authors: Jauberteau J. L. , Jauberteau I.
Published: October 2014

This work is devoted to the study of the Langmuir probe in non‐Maxwellian plasma, assuming mono‐energetic singly charged ions and a collisionless sheath. Using a general analytical equation for the Electron Energy Distribution Function (EEDF), we study the effect of the EEDF profile on: a) The ion energy at the sheath edge of a negatively biased collector, b) the I‐V probe characteristic and c) the floating voltage (Vp‐Vf). Different methods are used and compared to determine these parameters or characteristics. A correlation is given between the floating voltage, the ion energy at the sheath edge and the EEDF profile. The study is also extended to distribution functions with several components. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Development of a multiparametric score to predict left ventricular remodelling and prognosis after cardiac resynchronization therapy
Authors: Kydd Anna C. , Khan Fakhar Z. , Ring Liam , Pugh Peter J. , Virdee Munmohan S. , Dutka David P.
Published: October 2014

Aims

Optimal delivery of CRT requires appropriate patient selection and device implantation. Echocardiographic predictors of CRT response individually appear to enhance patient selection, but do not fully reflect the complex underlying myocardial dysfunction. We hypothesized that a multiparametric approach would offer greater predictive value and sought to derive a score incorporating baseline characteristics including: dyssynchrony, LV function, and LV lead position.

Methods and results

Data were analysed from 294 patients undergoing CRT between June 2008 and December 2012. All patients were in sinus rhythm with QRS >120 ms, NYHA class II–IV, and LVEF <35%. Detailed clinical assessment including echocardiography was completed at baseline and 6 months after CRT. Response was defined as a ≥15% reduction in LV end‐systolic volume. Dyssynchrony (interventricular delay and radial strain delay), global longitudinal strain, and LV lead position were independent predictors of LV remodelling and were used to derive a predictive score which correlated with reduction in LV volume (r = − 0.5, P < 0.001) and was higher with QRS >150 ms and non‐ischaemic aetiology. A cut‐off score <0.6 offered the highest specificity and positive predictive value (100%) to determine non‐response. A score >3.28 offered high specificity (specificity 86%, sensitivity 70%) to predict response. Survival proportion at longer term follow‐up was low (21%) in the group with predictive score <0.6.

Conclusion

A multiparametric strategy, which defines anticipated probability of response to CRT, offers potential to predict non‐responders with poor long‐term survival following CRT. The value of this approach in avoiding unnecessary device implantation with potential for harm requires validation in large multicentre studies.
Micellar Polyaromatic Capsules: Enhanced Emissive Properties through Shell‐Functionalization
Authors: Kondo Kei , Suzuki Akira , Akita Munetaka , Yoshizawa Michito
Published: October 2014

Functionalization of the polyaromatic shell of a micelle‐like molecular capsule was accomplished by simple functionalization of the amphiphilic subunits composed of a bent bis‐anthracene framework and two trimethylammonium groups. In aqueous solutions, functionalized subunits assemble spontaneously and quantitatively into spherical capsules providing anthracene shells with external diameters of 2–3 nm through hydrophobic and aromatic‐aromatic interactions. The shape and size of the functionalized capsules remain similar to the original, but the emissive intensities increase significantly (up to 5‐fold) by attaching cyano or phenylethynyl groups. Furthermore, the shell‐functionalization drastically enhances the host–guest photophysical properties (up to 8‐fold) in the cavities of the capsules, as estimated by emission intensities from the encapsulated fluorescent dyes.
The beast within: H.G. Wells,The Island of Doctor Moreau, and human evolution in the mid‐1890s
Authors: Mcnabb John
Published: October 2014

H.G. Wells' novelsThe Time MachineandThe Island of Doctor Moreauwere both concerned with the evolutionary destiny of mankind and what it meant to be human, both important areas of discussion for Victorian natural science in the 1890s. In this essay, I set these two works in their broader scientific context and explore some of the then contemporary influences on them drawn from the emerging disciplines of archaeology and anthropology. Wells was a student of T.H. Huxley whose influence on his own emerging views on human evolution is clear. While most scientists and the lay‐public accepted the reality of evolution by the 1890s, and the natural origins of the human species, fear of the implications of our ‘primitive’ heritage pervaded popular and scientific works. Wells bridged that gap with an uncompromising outlook delivered to the public as scientific truth delivered through short stories, novels and scientific journalism. Copyright © 2014 John Wiley & Sons, Ltd.
Genetic variation in transmembrane 6 superfamily member 2 and the risk of nonalcoholic fatty liver disease and histological disease severity
Authors: Sookoian Silvia , Castaño Gustavo O. , Scian Romina , Mallardi Pablo , Fernández Gianotti Tomas , Burgueño Adriana L. , San Martino Julio , Pirola Carlos J.
Published: October 2014

We explored the role of transmembrane 6 superfamily member 2 (TM6SF2) rs58542926 C/T nonsynonymous (p.Glu167Lys) variant in genetic susceptibility to nonalcoholic fatty liver disease (NAFLD) and disease severity. A total of 361 individuals (135 control subjects and 226 patients with histologically proven NAFLD) were included in a sample with 97% power for the additive genetic model. A discrete trait analysis of NAFLD showed that rs58542926 was associated with a modest risk of fatty liver (P = 0.038; odds ratio [OR]: 1.37; 95% confidence interval [CI]: 1.02‐1.84); nevertheless, conditioning on patatin‐like phospholipase domain‐containing 3 (PNPLA3)‐rs738409 abolished this effect. We did not observe an interaction between rs738409 and rs58542926 variants on the risk of NAFLD. We observed a significant association of rs58542926 and disease severity (P = 0.027), but not lobular inflammation or fibrosis; rs58542926 was not associated with levels of liver enzymes. An allelic test showed that the T (Lys167) allele was significantly associated with disease progression (P = 0.021; OR, 1.66; 95% CI: 1.08‐2.55). A significant association was found with the histological degree of liver steatosis (β, 0.15; standard error: 0.06; P = 0.0299) that was independent of rs738409. Homozygous carriers of the C (Glu167) allele showed increased risk for cardiovascular disease. TM6SF2 protein expression was decreased markedly in liver of NAFLD patients, compared to controls. In addition, TM6SF2 immunoreactivity was reduced in subjects carrying at least one copy of the T allele, consistent with a difference in liver allele‐specific transcript abundance. Conclusion: rs58542926 is a low‐frequency variant with a modest effect on NAFLD, suggesting that carriers of the T allele are slightly more likely to accumulate fat in the liver and develop nonalcoholic steatohepatitis than those without. TM6SF2 appears to play a significant role in disease biology. (Hepatology 2015;61:515‐525)
DETACHED PARENTING AND TODDLER PROBLEM BEHAVIOR IN EARLY HEAD START FAMILIES
Authors: Jones Harden Brenda , Denmark Nicole , Holmes Allison , Duchene Melissa
Published: October 2014

This study examined detached parenting among Early Head Start mothers, and associated maternal characteristics and child behavior. Participants included 81 mother–child dyads. Data were collected in participants' homes during two visits. Mothers reported on demographic factors, parenting stress, and children's problem behaviors. Children's neurodevelopment was assessed, and videotaped parent–child play interactions were coded. Path analyses indicated that demographic risk factors and parenting stress were associated with higher levels of detached parenting. As a mediator, detached parenting significantly predicted children's later problem behavior. There was a direct effect of parenting stress on children's behavior problems, but no direct effect of children's neurodevelopmental risk. Detached parenting partially mediated the influence of parenting stress on children's problem behavior. The final model moderately accounted for the variance in detached parenting and children's problem behaviors. The results suggest that parents who experience multiple risks and high levels of parenting stress are more likely to demonstrate detached parenting. In addition, detached parenting leads to higher levels of toddler problem behavior, and may increase the problem behavior displayed by toddlers of parents experiencing multiple risks and parenting stress. These findings are discussed in the context of infant mental health practice.
The synthesis of 14C‐labeled N‐succinimidyl‐3‐maleimidopropionate, a linker molecule for PEGylated biologics
Authors: Cao Kai , Maxwell Brad D. , Bonacorsi Samuel J.
Published: October 2014

Carbon‐14 labeled linker molecule, N‐succinimidyl‐3‐maleimidopropionate was prepared for disposition studies of PEGylated biologics. Our new route started with 100 mCi of carbon‐14 labeled Potassium cyanide (KCN) to prepare 55 mCi of [1‐14C]N‐succinimidyl‐3‐maleimidopropionate, 6 in five steps. This represents a multiple of 5.5× improvement in the yield of the desired labeled product compared with our previous synthesis.
2,5‐Dihydroxybenzoic acid solution in MALDI‐MS: ageing and use for mass calibration
Authors: Teearu Anu , Vahur Signe , Haljasorg Uku , Leito Ivo , Haljasorg Tõiv , Toom Lauri
Published: October 2014

2,5‐Dihydroxybenzoic acid (DHB) is one of the most widely used and studied matrix compounds in matrix‐assisted laser desorption/ionization (MALDI) mass spectrometry. However, the influence of ageing of the DHB solution on the MALDI mass spectra has not been yet systematically studied. In this work, the possible changes occurring in the acidified acetonitrile/water solution of the MALDI matrix compound DHB during 1‐year usage period have been monitored with MALDI‐Fourier transform ion cyclotron resonance mass spectrometer (MALDI‐FT‐ICR‐MS) and attenuated total reflectance Fourier transform infrared (ATR‐FT‐IR) spectroscopy. No significant ageing products have been detected. The ability of the aged DHB solution to act as a MALDI matrix was tested with two materials widely used in art and conservation – bone glue (a proteinaceous material) and shellac resin (a resinous material) – and good results were obtained. A number of peaks in the mass spectra measured from the DHB solution were identified, which can be used for internal calibration of the mass axis. Copyright © 2014 John Wiley & Sons, Ltd.
Use of FTIR‐PAS combined with chemometrics to quantify nutritional information in rapeseeds (Brassica napus)
Authors: Lu Yuzhen , Du Changwen , Yu Changbing , Zhou Jianmin
Published: October 2014

Fast acquisition of nutritional information of rapeseeds is important for rapeseed breeding programs, evaluation of soil nutrient conditions and even fertilization recommendations. Fourier transform mid‐infrared photoacoustic spectroscopy (FTIR‐PAS) was employed to determine nitrogen, phosphorus and potassium content in rapeseeds. Calibration models were developed using both partial least squares (PLS) and partial least squares combined with direct orthogonal signal correction (DOSC‐PLS). According to the values of RPD (ratio of prediction to deviation), the PLS models for nitrogen and phosphorus were acceptable, while the PLS model for potassium needed to be improved. By contrast, DOSC‐PLS models obtained the better predictive accuracy with RPD values of 2.54, 2.10 and 1.94 for nitrogen, phosphorus and potassium, respectively. This work demonstrates the good performance of FTIR‐PAS for rapid and non‐destructive quantification of nutritional information in rapeseeds.
Coarse soil can enhance the availability of nutrients from fine soil
Authors: Smaill Simeon J. , Clinton Peter W. , Allen Robert B. , Leckie Alan C , Davis Murray R.
Published: October 2014

A recent trial found that the presence of coarse soil in fine soil increased nutrient uptake by two plant species (Smaill et al., 2014). To determine if the additional nutrient uptake was derived directly from the coarse soil, the changes in coarse soil nutrient stocks were assessed. In most cases nutrient stocks increased, despite being associated with greater plant nutrient uptake. This suggests coarse soil can promote nutrient release from fine soil through some currently unknown mechanism.
Characterization of wet aggregate stability of soils by H‐NMR relaxometry
Authors: Buchmann C. , Meyer M. , Schaumann G. E.
Published: October 2014

For the assessment of soil structural stability against hydraulic stress, wet sieving or constant head permeability tests are typically used but rather limited in their intrinsic information value. The multiple applications of several tests is the only possibility to assess important processes and mechanisms during soil aggregate breakdown, e.g. the influences of soil fragment release or differential swelling on the porous systems of soils or soil aggregate columns. Consequently, the development of new techniques for a faster and more detailed wet aggregate stability assessment is required. 1H nuclear magnetic resonance relaxometry (1H‐NMR relaxometry) might provide these requirements because it has already been successfully applied on soils. We evaluated the potential of 1H‐NMR relaxometry for the assessment of wet aggregate stability of soils, with more detailed information on occurring mechanisms at the same time. Therefore, we conducted single wet sieving and constant head permeability tests on untreated and 1% polyacrylic acid‐treated soil aggregates of different textures and organic matter contents, subsequently measured by 1H‐NMR relaxometry after percolation. The stability of the soil aggregates were mainly depending on their organic matter contents and the type of aggregate stabilization, whereby additional effects of clay swelling on the measured wet aggregate stability were identified by the transverse relaxation time (T2) distributions. Regression analyses showed that only the percentage of water stable aggregates could be determined accurately from percolated soil aggregate columns by 1H‐NMR relaxometry measurements. 1H‐NMR relaxometry seems a promising technique for wet aggregate stability measurements but should be further developed for nonpercolated aggregate columns and real soil samples. Copyright © 2014 John Wiley & Sons, Ltd.
Nuclear magnetic resonance using electronic referencing: method validation and evaluation of the measurement uncertainties for the quantification of benzoic acid in orange juice
Authors: Garrido Bruno C. , de Carvalho Lucas J.
Published: October 2014

Quantitative nuclear magnetic resonance measurements have become more popular over the last decade. The introduction of new methods and experimental parameters has been of fundamental importance in the development of new applications. Amongst these new developments is the introduction of electronic referencing for quantifications. The use of electronic referencing eliminates errors in the analyses as a result of weighting of internal standards as well as undesired problems as a result of the solubility of the standards in the analyte solution and chemical interactions between the analyte and the internal standard.

In this work, we have studied the quantification of a very important analyte in a food matrix, benzoic acid in orange juice, as a model to the validation and measurement uncertainty estimation of electronic referencing using 1H NMR in food analyses. The referencing method applied was the pulse length‐based concentration measurement.

Method was validated and showed good results for the precision and accuracy parameters evaluated. A certified reference material and a reference material candidate were analyzed, and extremely good results were obtained. Reported relative expanded uncertainties are in the 1.07–1.39% range that can be considered an extremely good performance for the analysis of a food complex matrix. Measurement uncertainty was evaluated by two different approaches, and the pulse calibrations for the samples and for the reference have been shown to account for approximately 80% of the total uncertainty of the measurement. Copyright © 2014 John Wiley & Sons, Ltd.
Electron and hydrogen transfer in organic photochemical reactions
Authors: Hoffmann Norbert
Published: October 2014

Electron and hydrogen transfers are basic steps in many chemical reactions. Photochemical or electronic excitation significantly influences the reactivity of chemical compounds and thus also these transfer processes. Furthermore, the formation of typical intermediates has a decisive impact on the outcome of the transformations. Based on these properties of photochemical processes, efficient homogeneous and heterogeneous photocatalytic transformations for application to organic synthesis have been developed. Efficient reactions without any chemical activation but induced by photochemical electron transfer can also be carried out. The photon acts as a traceless reagent. In the context of photochemical hydrogen transfer, two processes are frequently encountered. The two particles the electron and the proton are transferred either simultaneously or in two steps. In the latter case, the electron is transferred first and the proton follows. Both processes are applied to organic synthesis. Copyright © 2014 John Wiley & Sons, Ltd.
Electroluminescence of germanium LEDs on silicon: Influence of antimony doping
Authors: Schwartz Bernhard , Klossek André , Kittler Martin , Oehme Michael , Kasper Erich , Schulze Jörg
Published: October 2014

Antimony‐doped Ge‐LEDs were subjected to electroluminescence studies at temperatures about 300 K and 80 K. The LEDs were grown on Si substrates by MBE. The thickness of the active layer was 300 nm. For the p+nn+‐LEDs the Sb concentrations were 1 × 1018, 1 × 1019, 3 × 1019, 4 × 1019, 7 × 1019 or 1 × 1020 cm–3, respectively. As reference a p+in+‐LED without intentional doping in the active layer was used. The investigated specimen exhibited dominance of the direct transition line at about 0.8 eV.

Moreover, luminescence indirect transition was observed. In general, the spectra reveal higher EL intensities at room temperature as compared to 80 K. With decreasing temperature the direct peak was blue shifted. The highest EL intensity was found for the LED with Sb concentration of 3 × 1019 cm–3. With increasing Sb doping a red‐shift of the direct peak was observed, caused by band gap narrowing. In addition, a simulated curve of the direct transition was compared with our samples and fits well with the measured spectra. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Green light‐emitting CdTe nanocrystals: synthesis and optical characterizations
Authors: Algieri Luciana , Rosato Roberta , Mosca Maria Elena , Protopapa Maria Lucia , Scalone Anna Grazia , Di Benedetto Francesca , Bucci Luigi , Tapfer Leander
Published: October 2014

In this work, we report on the synthesis of CdTe nanocrystals (NCs) by using of two different saturated long‐chain capping ligands, oleic (OA) and myristic acids (MA), and investigate their influence on the nanocrystals optical properties. The main goal of our study is to identify the ligand that allows slowing down the growth rate of the NCs after nucleation, in order to obtain small enough nanocrystals emitting in the blue‐green part of the optical spectrum. Our results show clearly that oleic acid allows a good control on the CdTe NCs growth, finally leading to a fine‐tuning of the NCs size‐dependent emission from the green to the yellow part of the spectrum. Instead, a faster reaction kinetics, which arises in a lower possibility to produce small NCs emitting in the green part of the spectrum, was noticed using myristic acid. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
The impact of valley geometry on daytime thermally driven flows and vertical transport processes
Authors: Wagner J. S. , Gohm A. , Rotach M. W.
Published: October 2014

The influence of valley geometry on thermally driven flows is studied by means of high‐resolution simulations. An idealized valley–plain topography and a spatially constant but time‐dependent surface sensible heat flux are used to generate upslope, upvalley and plain‐to‐mountain winds. A systematic variation of valley depth, width and length induces differences in the cross‐ and along‐valley flow field and thermal structure of the boundary layer. The deeper the valley, the stronger the upvalley winds and the more favoured the formation of vertically stacked circulation cells and an elevated valley inversion layer. Upvalley winds become weaker for wide valleys. The development of plain‐to‐mountain circulations increases vertical exchange processes between the boundary layer and the free atmosphere considerably, compared with vertical transport processes over a plain. The analysis of mass‐flux budgets and forward trajectories indicates that mass is transported three to four times more effectively from the surface to the free atmosphere over valleys than over flat terrain. Vertical transport processes are strongest for deep and narrow valleys.
Enhanced detection of the algal toxin PbTx‐2 in marine waters by atmospheric pressure chemical ionization mass spectrometry
Authors: Mead Ralph N. , Probst Emily E. , Helms John R. , Avery G. Brooks , Kieber Robert J. , Skrabal Stephen A.
Published: October 2014

RATIONALE

Karenia brevis, a marine dinoflagellate, biosynthesizes a unique class of polyether toxins called brevetoxins that produce significant health, environmental and economic impacts in and along coastal waters. Previous application of liquid chromatography/mass spectrometry for detection of the most common brevetoxin, PbTx‐2, has relied almost exclusively upon electrospray ionization (ESI). A different ionization source is proposed in this study with improved sensitivity ultimately leading to lower limit of detection compared to (+) ESI.

METHODS

Brevetoxin standards and samples (PbTx‐2) were analyzed by liquid chromatography/mass spectrometry using both (+) atmospheric pressure chemical ionization and (+) electrospray ionization sources.

RESULTS

LC/MS with (+) APCI exhibited an order of magnitude improvement in the limit of detection (7.7 × 10–4 pg mass on‐column) compared to the same method using (+) ESI (7.5 × 10–3 pg mass on‐column). The calibration sensitivity of (+) APCI (1.3 × 103) was also five times higher than positive mode (+) ESI (0.26 × 103).

CONCLUSIONS

Positive mode APCI represents a significant improvement in detection and quantification of PbTx‐2 by LC/MS allowing for smaller sample sizes compared to previous studies using (+) ESI. This in turn leads to higher throughput of samples during and after bloom events giving stakeholders detailed information on the fate of this potent marine toxin. Copyright © 2014 John Wiley & Sons, Ltd.
In situ identification and mapping of neuropeptides from the stomatogastric nervous system of Cancer borealis
Authors: Chen Ruibing , Ouyang Chuanzi , Xiao Mingming , Li Lingjun
Published: October 2014

RATIONALE

The crustacean stomatogastric nervous system (STNS) is a classic experimental model to derive basic knowledge about neuronal functions and how they coordinate with each other to generate neural circuits. To investigate the components of the neuromodulators and how they are distributed in such a system is essential to understand the underlying mechanism. In this study, in situ mass spectrometry based techniques were employed to fulfill this goal.

METHODS

Offline high‐performance liquid chromatography (HPLC) separation was coupled with matrix‐assisted laser desorption/ionization time‐of‐flight/time‐of‐flight (MALDI‐TOF/TOF) to analyze the neuropeptides in the stomatogastric ganglion (STG) tissue extract from the Jonah crab Cancer borealis. Direct tissue analysis was employed to investigate the neuropeptides present in the STNS. MALDI imaging was also applied to map the localization of multiple neuropeptide families in the STG and the upstream nerve fibers.

RESULTS

Fifty‐seven neuropeptides were detected from a single desheathed STG using direct tissue analysis, and they were from eleven different neuropeptide families, including FaRP, AST‐A, AST‐B, etc. Differential neuropeptide profiles from three different types of ganglia and two types of nerve fiber tissues from the STNS were documented. The direct tissue analysis was shown better for studying neuropeptides from small neural organs like the STG as compared to the large‐scale HPLC/MALDI analysis. MALDI images were also acquired to study the distribution of neuropeptides in the STG.

CONCLUSIONS

In this study, the components and distribution of neuropeptides have been analyzed in the STNS from C. borealis using direct tissue profiling and MALDI imaging. The results show that the direct tissue analysis of desheathed neural tissues can provide higher sensitivity for neuropeptide study compared to large‐scale HPLC/MALDI analysis of pooled tissues. The results are valuable for understanding the functions of neuropeptides in neural network generation. Copyright © 2014 John Wiley & Sons, Ltd.
Structural characterization of organic aerosol using Fourier transform ion cyclotron resonance mass spectrometry: Aromaticity equivalent approach
Authors: Yassine Mahmoud M. , Harir Mourad , Dabek‐Zlotorzynska Ewa , Schmitt‐Kopplin Philippe
Published: October 2014

RATIONALE

A challenge of atmospheric particulate matter (PM) analysis is the understanding of the sources and chemistry of complex organic aerosols, especially the water‐soluble organic compounds (WSOC) fraction, a key component of atmospheric fine PM (PM2.5). The sources of WSOC are not well understood and, thus, the molecular characterization of WSOC is important because it provides insight into aerosol sources and the underlying mechanisms of secondary organic aerosols formation and transformation.

METHODS

In this study, molecular characterization of WSOC was achieved using Fourier transform ion cyclotron resonance mass spectrometry. The aromaticity equivalent (Xc), a new parameter calculated from the assigned molecular formula, is introduced to improve the identification and characterization of aromatic and condensed aromatic compounds in WSOC. Diesel PM (DPM) and atmospheric PM samples were used to study the applicability of the proposed method.

RESULTS

Threshold values of Xc ≥2.5000 and Xc ≥2.7143 are proposed as unambiguous minimum criteria for the presence of aromatics and condensed aromatics, respectively. By using these criteria, 36% of precursors were defined as aromatics and condensed aromatics in the DPM. For comparison, 21% of aromatic and condensed aromatic compounds were defined using the Aromaticity Index (AI) classification. The lower estimates by the AI approach are probably due to the failure to recognize aromatics and condensed aromatics with longer alkyl chains. The estimated aromatic and condensed aromatic fractions in the atmospheric aerosol samples collected in an industrial area affected by biomass burning events were 51.2 and 50.0%, respectively.

CONCLUSIONS

The advantage of employing this parameter is that Xc would have a constant value for each proposed core structure regardless of the degree of alkylation, and thus visual representation and structural interpretations of the spectra become advantageous for characterizing and comparing complex samples. In addition, the proposed parameter complements the AI classification and identification of aromatic and condensed aromatic structures in complex matrices. Copyright © 2014 John Wiley & Sons, Ltd.
UK NHS pilot study on cell‐free DNA testing in screening for fetal trisomies: factors affecting uptake
Authors: Gil M. M. , Giunta G. , Macalli E. A. , Poon L. C. , Nicolaides K. H.
Published: October 2014

ABSTRACT

Objective

This study reports on the clinical implementation of cell‐free DNA (cfDNA) testing, contingent on the results of the combined test, in screening for fetal trisomies 21, 18 and 13 in two UK National Health Service hospitals. Women with a combined‐test risk of ≥ 1:100 (high risk) were offered the options of chorionic villus sampling (CVS), cfDNA testing or no further testing and those with a risk of 1:101 to 1:2500 (intermediate risk) were offered cfDNA or no further testing. The objective of the study was to examine the factors affecting patient decisions concerning their options.

Methods

Combined screening was performed in 6651 singleton pregnancies in which the risk for trisomies was high in 260 (3.9%), intermediate in 2017 (30.3%) and low in 4374 (65.8%). Logistic regression analysis was used to determine which factors among maternal characteristics, fetal nuchal translucency thickness (NT) and risk for trisomies were significant predictors of opting for CVS in the high‐risk group and opting for cfDNA testing in the intermediate‐risk group.

Results

In the high‐risk group, 104 (40.0%) women opted for CVS; predictors for CVS were increasing fetal NT and increasing risk for trisomies, while the predictor against CVS was being of Afro‐Caribbean racial origin (r = 0.366). In the intermediate‐risk group, 1850 (91.7%) women opted for cfDNA testing; predictors for cfDNA testing were increasing maternal age, increasing risk for trisomies and university education, while predictors against cfDNA testing were being of Afro‐Caribbean racial origin, smoking and being parous (r = 0.105).

Conclusions

This study has identified factors that can influence the decision of women undergoing combined screening in favor of or against CVS and in favor of or against cfDNA testing. Copyright © 2014 ISUOG. Published by John Wiley & Sons Ltd.
Research with disaggregated electricity end‐use data in households: review and recommendations
Authors: Rowlands Ian H. , Reid Tobi , Parker Paul
Published: October 2014

Changes in electricity systems mean that more detailed information about demand levels for particular energy services in the home are now available to energy researchers. Accordingly, it is useful to determine how these data might be best used by energy researchers. To advance this discussion, 13 studies that use intrusive load‐monitoring techniques to generate, to present, and to make effective use of, disaggregated end‐use electricity data from households are identified. These studies are placed within a broader literature context (including studies using non‐intrusive load‐monitoring techniques), are summarized briefly, and are cross‐compared in order to delineate emerging issues. These issues are as follows: methodological challenges, including monitoring equipment performance and participant recruitment; ways to present the time‐ and space‐specific nature of the end‐use electricity data generated; advances with respect to end‐use electricity models that can be built; appliance‐specific insights; and future priorities for this kind of work, including energy conservation insights, relevant policy recommendations, and priority academic investigations. Finally, reflection upon these 13 studies, as well as the broader energy research agenda, generates a number of priority areas for work going forward: making effective use of additional data; broadening the focus to include electricity production and storage, as well as other energy, carbon, resource, and information flows; placing these data within broader social contexts and wider power system considerations; and encouraging effective use of these data to advance energy system sustainability, at both the household and community levels. WIREs Energy Environ 2015, 4:383–396. doi: 10.1002/wene.151

This article is categorized under:

Energy Efficiency > Economics and Policy

Energy Infrastructure > Economics and Policy

Energy Policy and Planning > Economics and Policy
Brief report: Violent false memories and engagement in aggressive and delinquent behavior: An investigation in adolescents
Authors: Vannucci Manila , Nocentini Annalaura , Chiorri Carlo , Menesini Ersilia
Published: October 2014

The present study investigates the relationship between violent false memories and delinquent and aggressive behavior in a sample of adolescents. Two hundred eleven participants completed measures of aggressive and delinquent behavior and performed a modified version of the Deese‐Roediger‐McDermott (DRM) paradigm, a false memory task for lists of associated words. Participants were presented with a list of ambiguously violent words and three lists of neutral words. For each list a free recall task was performed. Violent false memories were significantly associated with delinquent behaviors in both genders, whereas a significant correlation with aggressive behaviors was found only in males. A multilevel multiple regression showed that the prediction of delinquent behaviors was improved by entering violent false memories into the model as a further predictor, whereas no effect was found for aggressive behaviors. These findings indicate a significant association of violent false memories with delinquent behavior in adolescents.
Inertial wave rays in rotating spherical fluid domains
Authors: Rabitti Anna , Maas Leo R. M.
Published: October 2014

The behaviour of inertial waves in a rotating spherical container, filled with homogeneous fluid, is here investigated by means of a three-dimensional ray tracing algorithm, in a linear, inviscid framework. In particular, the classical, two-dimensional association between regular modes and periodic trajectories is addressed here for the first time in a fully three-dimensional setting. Three-dimensional, repelling periodic trajectories are found and classified on the basis of the associated frequency and spatial structure, although associated frequencies are hardly reconcilable to Bryan’s (Proc. R. Soc. Lond., vol. 45, 1889, pp. 42–45) classical solutions for inertial waves in the sphere. The normalized squared frequency $\def \xmlpi #1{}\def \mathsfbi #1{\boldsymbol {\mathsf {#1}}}\let \le =\leqslant \let \leq =\leqslant \let \ge =\geqslant \let \geq =\geqslant \def \Pr {\mathit {Pr}}\def \Fr {\mathit {Fr}}\def \Rey {\mathit {Re}}\omega ^2 = 1/2$ appears to divide the frequency range into two different trajectory regimes, where critical latitudes play a different role. Chaotic orbits are not found, as expected, while invariant, non-domain-filling orbits (whispering gallery modes) constitute the majority of the trajectories in the sphere. From ray tracing alone, the wavefield is still far from being completely reconstructed, and a study performed in such a simplified setting is clearly far from any realistic application, however, it appears that three-dimensional ray dynamics constitutes a valid approach to infer information on the spectrum and regularity properties of a system, and is then able to bring new insight in a variety of fundamental problems of geophysical and astrophysical relevance, once its power and limitations have been recognized.
THE RELEVANCE OF GOD: A REPLY TO RONALD DWORKIN
Authors: Jackson Timothy P.
Published: October 2014

When Ronald Dworkin was to deliver his 1988 Tanner Lecture on Human Values at Stanford University, he was introduced by the university's president, Donald Kennedy. Kennedy offered an appreciative account of Dworkin's background and achievements, noted the title of the upcoming talk, then gathered up his notes and turned the podium over to the speaker. Dworkin proceeded to give a two-hour oration on the foundations of liberal equality, breathtaking in its detail and logical rigor and flowing eloquently without a hitch or hesitation. Just as he was concluding, Kennedy rushed up to the dais and exclaimed to the audience: “Please forgive me, I just realized that when I picked up my notes, I also inadvertently picked up Professor Dworkin's manuscript.” Without missing a beat, Dworkin had delivered his entire lecture from memory.
The network structure of mathematical knowledge according to the Wikipedia, MathWorld, and DLMF online libraries
Authors: GONZAGA FLAVIO B. , BARBOSA VALMIR C. , XEXÉO GERALDO B.
Published: October 2014

We study the network structure of Wikipedia (restricted to its mathematical portion), MathWorld, and DLMF. We approach these three online mathematical libraries from the perspective of several global and local network-theoretic features, providing for each one the appropriate value or distribution, along with comparisons that, if possible, also include the whole of the Wikipedia or the Web. We identify some distinguishing characteristics of all three libraries, most of them supposedly traceable to the libraries' shared nature of relating to a very specialized domain. Among these characteristics are the presence of a very large strongly connected component in each of the corresponding directed graphs, the complete absence of any clear power laws describing the distribution of local features, and the rise to prominence of some local features (e.g., stress centrality) that can be used to effectively search for keywords in the libraries.
Revisiting the Chalcolithic site of El Ventorro (Madrid, Spain). Ceramic Re-fitting and Taphonomy
Authors: BLANCO-GONZÁLEZ ANTONIO , CHAPMAN JOHN
Published: October 2014

Monumental ditches and Bell Beakers are two key phenomena in later prehistoric Europe involved in the study of El Ventorro, near Madrid. In this article, we discuss and develop an analytical protocol for a thorough characterisation of the patterns of breakage, abrasion, and representation of ceramics. The procedure is tested with a large ceramic sample from ‘Pithouse 013’, an unusually rich context which challenges stereotypical accounts of the domestic sphere, feasting, and prestige goods deposition. This sunken feature was filled with a heterogeneous mixture of recently broken remains and secondary residues, and is reinterpreted here as a ditch segment instead of everyday fossilised occupation surfaces. The paper sheds important new light on depositional practices, the social biographies of Beaker pottery, and the infilling of ditched enclosures. It also allows the assessment of the potential of this integrated re-fitting and taphonomic strategy to illuminate poorly understood aspects of pottery in a range of time–place contexts.
Optimal cut-off values of BMI, waist circumference and waist:height ratio for defining obesity in Chinese adults
Authors: Zeng Qiang , He Yuan , Dong Shengyong , Zhao Xiaolan , Chen Zhiheng , Song Zhenya , Chang Guang , Yang Fang , Wang Youjuan
Published: October 2014

It has not been established which specific measures of obesity might be most appropriate for predicting CVD risk in Asians. The objectives of the present study were to determine the associations of BMI, waist circumference (WC) and waist:height ratio (WHtR) with CVD risk factors and to evaluate the optimal cut-off values to define overweight or obesity in Chinese adults. Data collected from seven nationwide health examination centres during 2008 and 2009 were analysed. The BMI, WC and WHtR of 244 266 Chinese adults aged ≥ 20 years included in the study were measured. Logistic regression models were fit to evaluate the OR of each CVD risk factor according to various anthropometric indices. Receiver operating characteristic (ROC) analyses were conducted to assess the optimal cut-off values to predict the risk of diabetes, hypertension, dyslipidaemia and the metabolic syndrome. WHtR had the largest areas under the ROC curve for all CVD risk factors in both sexes, followed by WC and BMI. The optimal cut-off values were approximately 24·0 and 23·0 kg/m2 for BMI, 85·0 and 75·0 cm for WC, and 0·50 and 0·48 for WHtR for men and women, respectively. According to well-established cut-off values, BMI was found to be a more sensitive indicator of hypertension in both men and women, while WC and WHtR were found to be better indicators of diabetes and dyslipidaemia. A combination of BMI and central obesity measures was found to be associated with greater OR of CVD risk factors than either of them alone in both sexes. The present study demonstrated that WHtR and WC may be better indicators of CVD risk factors for Chinese people than BMI.