bluuebunny/crossref_metadata_2025 huggingface dataset:
Initial apixaban dosing in patients with atrial fibrillation
Authors: Buchholz Alexander , Ueberham Laura , Gorczynska Kaja , Dinov Borislav , Hilbert Sebastian , Dagres Nikolaos , Husser Daniela , Hindricks Gerhard , Bollmann Andreas
Published: March 2018

Background

Apixaban is a non–vitamin K oral anticoagulant approved for prevention of stroke and systemic embolism in patients with nonvalvular atrial fibrillation (AF). Current labeling recommends dose reduction based on patient age, weight, and renal function.

Hypothesis

The aim of this study was to analyze adherence to current labeling instructions concerning initial apixaban dosing in clinical practice and identify factors associated with inappropriate dose reduction.

Methods

Patients with AF initiated on apixaban in 2016 were identified in the Heart Center Leipzig database. Records were screened to identify patient characteristics, prescribed apixaban dose, renal function, and further dosing‐relevant secondary diagnoses and co‐medication.

Results

We identified 569 consecutive patients with AF initiated on apixaban. In 301 (52.9%) patients, apixaban was prescribed in standard dose (5 mg b.i.d.) and in 268 (47.1%) in a reduced dose (2.5 mg b.i.d.). Of 268 patients receiving a reduced dose, 163 (60.8%) did not meet labeling criteria for dose reduction. In univariate and multivariate regression analysis, age (OR: 0.736, 95% CI: 0.664–0.816, P < 0.0001), patient weight (OR: 1.120, 95% CI: 1.076–1.166, P < 0.0001), and serum creatinine level (OR: 0.910, 95% CI: 0.881–0.940, P < 0.0001) were independent predictors for apixaban underdosage.

Conclusions

In clinical practice, apixaban dosing is frequently inconsistent with labeling. Factors associated with inappropriate dose reduction are age, patient weight, and serum creatinine level, the same factors used as criteria for dose adjustment. However, in underdosed patients, the 3 factors did not meet the criteria for dose reduction.
Complex epidermal growth factor receptor mutations and their responses to tyrosine kinase inhibitors in previously untreated advanced lung adenocarcinomas
Authors: Zhang Bo , Wang Shuyuan , Qian Jie , Yang Wenjia , Qian Fangfei , Lu Jun , Zhang Yanwei , Qiao Rong , Han Baohui
Published: March 2018

BACKGROUND

Two or more different epidermal growth factor receptor (EGFR) mutations can be detected within a single tumor sample, which represents complex mutations. However, the frequency and efficacy of tyrosine kinase inhibitor (TKI) treatments for patients harboring these mutations are unknown.

METHODS

From January 2011 to January 2017, patients diagnosed with EGFR mutations were screened. The effectiveness of TKIs in patients with complex mutations was retrospectively analyzed.

RESULTS

A total of 16,840 subjects were screened, and there were 5898 positive patients. One hundred eighty‐seven patients (3.2% of all patients with EGFR mutations) had complex EGFR mutations, and 51 of the patients with advanced adenocarcinoma were treated with TKIs as a first‐line treatment. The objective response rates for patients who had Del‐19+21L858R mutations (n = 15), Del‐19/21L858R+atypical mutations (n = 16), double atypical mutations (n = 8), and complex mutations with a primary drug‐resistant pattern (n = 12) were 75.0%, 60.0%, 71.0%, and 8.3%, respectively. The median progression‐free survival times for the 4 groups were 18.2 months (95% confidence interval [CI], 10.6‐25.9 months), 9.7 months (95% CI, 3.3‐15.8 months), 9.6 months (95% CI, 3.3‐19.0 months), and 1.4 months (95% CI, 0.4‐2.3 months), respectively.

CONCLUSIONS

These results from the largest sample size suggest that EGFR‐TKI therapy is effective in patients with Del‐19+21L858R mutations, Del‐19/21L858R+atypical mutations, and double atypical mutations but is less effective in patients with a primary drug‐resistant pattern. Patients with the Del‐19+21L858R mutations may, therefore, benefit more from treatment with first‐generation TKIs. Cancer 2018;124:2399‐406. © 2018 American Cancer Society.
FoxP in bees: A comparative study on the developmental and adult expression pattern in three bee species considering isoforms and circuitry
Authors: Schatton Adriana , Mendoza Ezequiel , Grube Kathrin , Scharff Constance
Published: March 2018

Mutations in the transcription factors FOXP1, FOXP2, and FOXP4 affect human cognition, including language. The FoxP gene locus is evolutionarily ancient and highly conserved in its DNA‐binding domain. In Drosophila melanogaster FoxP has been implicated in courtship behavior, decision making, and specific types of motor‐learning. Because honeybees (Apis mellifera, Am) excel at navigation and symbolic dance communication, they are a particularly suitable insect species to investigate a potential link between neural FoxP expression and cognition. We characterized two AmFoxP isoforms and mapped their expression in the brain during development and in adult foragers. Using a custom‐made antiserum and in situ hybridization, we describe 11 AmFoxP expressing neuron populations. FoxP was expressed in equivalent patterns in two other representatives of Apidae; a closely related dwarf bee and a bumblebee species. Neural tracing revealed that the largest FoxP expressing neuron cluster in honeybees projects into a posterior tract that connects the optic lobe to the posterior lateral protocerebrum, predicting a function in visual processing. Our data provide an entry point for future experiments assessing the function of FoxP in eusocial Hymenoptera.
The quantitative research of landscape color: A study of Ming Dynasty City Wall in Nanjing
Authors: Cheng Yuning , Tan Ming
Published: March 2018

Due to the richness of landscape color, together with the complexity of the environment, the objective measurement of landscape color has become very difficult. The evaluation and design of landscape color has depended on the perceptual experience acquired by the designer's eyes over a long period of time without objective and scientific basis in quantitative aspects. Therefore, development of a protocol for evalutation of environmental color change based on instrumental measurement in order to realize the quantitative expression of landscape color and to describe objectively the visual effect of the landscape color composition objectively, is a crucial factor in the landscape design process. This report takes the quantitative analysis of the color of the Ming Dynasty City Wall in Nanjing as a case study. Through the classification of color measurements, the on‐site investigation and sampling analysis in the landscape field, and the categorization and selection of the environment variables that influence the visual effect of color, this article illustrates the value and significance of the quantitative expression in the landscape color research to make landscape color effect more scientific, objective, and effective.
Smart Nacre‐inspired Nanocomposites
Authors: Peng Jingsong , Cheng Qunfeng
Published: March 2018

Nacre‐inspired nanocomposites with excellent mechanical properties have achieved remarkable attention in the past decades. The high performance of nacre‐inspired nanocomposites is a good basis for the further application of smart devices. Recently, some smart nanocomposites inspired by nacre have demonstrated good mechanical properties as well as effective and stable stimuli‐responsive functions. In this Concept, we summarize the recent development of smart nacre‐inspired nanocomposites, including 1D fibers, 2D films and 3D bulk nanocomposites, in response to temperature, moisture, light, strain, and so on. We show that diverse smart nanocomposites could be designed by combining various conventional fabrication methods of nacre‐inspired nanocomposites with responsive building blocks and interface interactions. The nacre‐inspired strategy is versatile for different kinds of smart nanocomposites in extensive applications, such as strain sensors, displays, artificial muscles, robotics, and so on, and may act as an effective roadmap for designing smart nanocomposites in the future.
On the Solvation Behavior of Graphene Oxide in Ethylene Glycol/Water Mixtures
Authors: Neklyudov Vadim V. , Agieienko Vera N. , Ziganshin Marat A. , Dimiev Aryat M.
Published: March 2018

The self‐association and solvation pattern of graphene oxide (GO) in water, ethylene glycol (EG), and their mixtures were analyzed by means of UV/Vis spectrophotometry. A careful analysis of the absorbance dependencies vs. the GO concentration shows that self‐association of the GO sheets in EG occurs at higher concentration compared to that in water. It was established that depending on the mixed solvent composition, two different types of the GO solvates are formed. The results of quantum chemical calculations allow one to suggest that in the water‐rich compositions, the GO oxygen‐containing groups are in direct contact with water molecules while in the glycol‐rich media the EG molecules fully substitute water in the GO's first solvation layer.
Effect of Magnesium Bond on the Competition Between Hydrogen and Halogen Bonds and the Induction of Proton and Halogen Transfer
Authors: Xu Hui‐Li , Li Qing‐Zhong , Scheiner Steve
Published: March 2018

HOX (X=Cl, Br, I, and At) can engage in either a H‐bond (HB) or halogen bond (XB) with a base‐like HCN, NH3, and imidazole. Although the former is energetically preferred for X=Cl and Br, it is the XB that is more stable for At, with I showing little preference. MgY2forms a Mg‐bond with the O atom of HOX, which grows stronger in the order X=Cl<Br<I<At and Y=F<Cl<Br. When all three molecules are combined, both the Mg and the H/X bonds are cooperatively strengthened to a large degree. Rather than causing a reversal in the HB/XB competition, the Mg‐bond acts primarily to amplify the natural preference within the dimer. The Mg‐bond induces a certain degree of transfer from O to N of the bridging atom in the H/X bond. Comparison is also made with the effects of a Be‐bond.
Bay Annulated Indigo as a New Chromophore for p‐type Dye‐Sensitized Solar Cells
Authors: Summers Gareth H. , Gibson Elizabeth A.
Published: March 2018

A prototype bay‐annulated indigo (BAI) dye has been synthesised and applied in p‐type dye‐sensitized solar cells (pDSC). The dye produced a broad spectral response up to 700 nm and an encouraging photocurrent (Jsc=1.13 mA cm−2, IPCE of 6.8 %) was recorded. These results have highlighted several challenges for integrating BAI dyes into pDSCs, including: low dye loading, a tendency to aggregate and lack of built‐in charge‐transfer character, which can be overcome by simple modifications to the dye structure.
Photoisomerization of Mono‐Arylated Indigo and Water‐Induced Acceleration of Thermal cis‐to‐trans Isomerization
Authors: Huber Ludwig A. , Mayer Peter , Dube Henry
Published: March 2018

Substituted indigo derivatives undergo photoisomerization of the central double bond if both nitrogen atoms are functionalized. Indigo itself however does not photoisomerize because of a competing and highly efficient excited‐state proton transfer. In this work, we show that also mono‐arylated indigo undergoes photoisomerization despite still possessing one nitrogen‐bound proton and the likely presence of a competing intramolecular excited‐state proton transfer. The two different isomers exhibit strongly different absorptions and therefore can be distinguished by the naked eye. Different to diaryl‐substituted indigo, thermal decay of the metastable cis isomers of mono‐arylated derivatives can be greatly accelerated by small amounts of water (by more than a factor of 300 for measured half‐lives). Such tunability is of high interest for applications that require quick and autonomous switching‐off of photoresponsive trigger units.
The Light‐Driven Isomerization of Aqueous Nitrate: A Theoretical Perspective
Authors: Mewes Jan‐Michael , Jerabek Paul , Bohle D. Scott , Schwerdtfeger Peter
Published: March 2018

The reaction mechanism for the rearrangement of the nitrate anion to its cis and trans peroxonitrite isomers is investigated in detail by quantum theoretical methods. The electronic ground state potential energy hypersurface (PES) features a bifurcation point along the minimum energy path at high energy, while the intrinsic reaction path moves the bifurcation point towards the transition state (TS) between the two peroxynitrite isomers. Coupled‐cluster calculations reveal a high‐lying transition state (4.6 eV) for the major photochemical isomerization pathway via an S1/S0 conical intersection, explaining why electronic excitation of the bright singlet states with λ=200–270 nm is required to trigger formation of peroxinitrite, while excitation of the weak band around 300 nm (wavelengths >270 nm) does instead lead to non‐radiative regeneration of NO3−. The influence of the aqueous solution is considered using polarizable continuum solvation in combination with explicitly solvated model systems. Despite the charged and polar nature of nitrate, we find that solvent effects exert a suprisingly small influence, neither changing the shape of the PES, nor affecting the nature of the excited states.
Reactive Crystallization Kinetics of Magnesium Hydroxide in the Mg(NO3)2 –NaOH System
Authors: Lu Lijuan , Hua Quanxian , Tang Jianwei , Liu Yong , Liu Li , Wang Baoming
Published: March 2018

Magnesium hydroxide (Mg(OH)2) is an important chemical raw material and product. Since narrow crystal size distribution of Mg(OH)2 determines its excellent physical and chemical properties, gaining insight into the reactive crystallization kinetics of Mg(OH)2 to obtain narrow particle size distribution is essential. The reactive crystallization kinetics of Mg(OH)2 for the Mg(NO3)2‐NaOH system is systematically investigated during batch crystallization. The effects of supersaturation and temperature on the reactive crystallization kinetics of Mg(OH)2 are studied. Ion concentration over crystallization time at different temperatures is measured by the conductivity method so that the induction period is well defined. Several kinetic parameters during the nucleation and growth process are determined by using the experimental data of ion concentration over crystallization time at different temperatures. Results show that the induction period decreases with increase of temperature and initial reagent concentration. The specific surface Gibbs energy decreases with the increase of temperature. Crystallization rate increases with increase of temperature and initial reagent concentration, and the nucleation and crystal growth rates can be described as the first order reaction model.
The Change of Mushy‐Zone Length of a Nickel‐Based Single‐Crystal Superalloy During the Static‐Magnetic‐Field‐Assisted Directional Solidification
Authors: Niu Chunlin , Ren Weili , Ding Biao , Zhong Yunbo , Yu Jianbo
Published: March 2018

The change of the mushy‐zone length of a nickel‐based single‐crystal superalloy during the static‐magnetic‐field‐assisted directional solidification was investigated. The results show that the longitudinal static magnetic field can influence the mushy‐zone length. For the magnetic field less than 1.0T, the mushy‐zone length decreases with increasing the magnetic field intensity. Nevertheless, when the magnetic field is greater than 1.0T, the mushy‐zone length begins to increase. The phenomenon is attributed to the competitive relationship between the temperature gradient in the mushy‐zone and the solidification‐temperature range in controlling the mushy‐zone length. Under the low and high intensity of the magnetic field, the temperature gradient and the solidification‐temperature range play the main roles in controlling the mushy‐zone length, respectively.
Capture of Iodide by Bismuth Vanadate and Bismuth Oxide: An Insight into the Process and its Aftermath
Authors: Zhang Liping , Gonçalves Alexandre A. S. , Jiang Baojiang , Jaroniec Mietek
Published: March 2018

As a result of the scarcity of iodine, as well as its threat to the environment if it is present in excess, iodine as a waste needs to be captured. Compared with ion‐exchange resins and Ag‐containing materials, which are popular iodide adsorbents, Bi‐containing compounds show some important advantages, such as high iodide‐capture capacity and fast kinetics. In this study, two Bi‐containing compounds, BiVO4 and Bi2O3, were investigated comprehensively for iodide immobilization. The influence of the pH, iodide/adsorbent ratio, temperature, crystallite size, and competing ions was explored, with a view to optimization of the capture process. Further study of the iodide‐adsorbed bismuth compounds confirms that the capture of iodide by BiVO4 and Bi2O3 is a chemisorption process with the formation of bismuth oxyiodide (BixOyIz). Furthermore, iodide ions are able to penetrate into the bulk of BiVO4 and Bi2O3, which is believed to be responsible for their high capture capacity. The application of BixOyIz as a photocatalyst has also been examined in CrVI reduction. This result makes the capture of iodide by BiVO4 and Bi2O3 even more environmentally friendly as the photocatalytic application of the iodide‐containing adsorbents not only avoids the production of secondary waste but may help to solve other environmental issues.
Simple Cadmium Sulfide Compound with Stable 95 % Selectivity for Carbon Dioxide Electroreduction in Aqueous Medium
Authors: Li Yu Hang , Cheng Ling , Liu Peng Fei , Zhang Le , Zu Meng Yang , Wang Chong Wu , Jin Yan Huan , Cao Xiao Ming , Yang Hua Gui , Li Chunzhong
Published: March 2018

A simple cadmium sulfide nanomaterial is found to be an efficient and stable electrocatalyst for CO2 reduction in aqueous medium for more than 40 h with a steady CO faradaic efficiency of approximately 95 %. Moreover, it can realize a current density of −10 mA cm−2 at an overpotential of −0.55 V on a porous substrate with similar selectivity. Theoretical and experimental results confirm that the high selectivity for CO2 reduction is due to its (0 0 0 2) face with sulfur vacancies that prefers CO2 molecule reduction in aqueous medium.
A guide to choosing fluorescent protein combinations for flow cytometric analysis based on spectral overlap
Authors: Kleeman Benjamin , Olsson Andre , Newkold Tess , Kofron Matt , DeLay Monica , Hildeman David , Grimes H. Leighton
Published: March 2018

The advent of facile genome engineering technologies has made the generation of knock‐in gene‐expression or fusion‐protein reporters more tractable. Fluorescent protein labeling of specific genes combined with surface marker profiling can more specifically identify a cell population. However, the question of which fluorescent proteins to utilize to generate reporter constructs is made difficult by the number of candidate proteins and the lack of updated experimental data on newer fluorescent proteins. Compounding this problem, most fluorescent proteins are designed and tested for use in microscopy. To address this, we cloned and characterized the detection sensitivity, spectral overlap, and spillover spreading of 13 monomeric fluorescent proteins to determine utility in multicolor panels. We identified a group of five fluorescent proteins with high signal to noise ratio, minimal spectral overlap, and low spillover spreading making them compatible for multicolor experiments. Specifically, generating reporters with combinations of three of these proteins would allow efficient measurements even at low‐level expression. Because the proteins are monomeric, they could function either as gene‐expression or as fusion‐protein reporters. Additionally, this approach can be generalized as new fluorescent proteins are developed to determine their usefulness in multicolor panels. © 2018 International Society for Advancement of Cytometry
An approach to shortening the timeframe between the emergence of new compounds on the drugs market and the availability of reference standards: The microscale syntheses of nitrazolam and clonazolam for use as reference materials, utilizing polymer‐supported reagents
Authors: Dowling Geraldine , Kavanagh Pierce V. , Eckhardt Hans‐Georg , Twamley Brendan , Hessman Gary , McLaughlin Gavin , O'Brien John , Brandt Simon D.
Published: March 2018

Nitrazolam and clonazolam are 2 designer benzodiazepines available from Internet retailers. There is growing evidence suggesting that such compounds have the potential to cause severe adverse events. Information about tolerability in humans is scarce but typically, low doses can be difficult to administer for users when handling bulk material. Variability of the active ingredient in tablet formulations can also be of a concern. Customs, toxicology and forensic laboratories are increasingly encountering designer benzodiazepines, both in tablet and powdered form. The unavailability of reference standards can impact on the ability to identify these compounds. Therefore, the need arises for exploring in‐house approaches to the preparation of new psychoactive substances (NPS) that can be carried out in a timely manner. The present study was triggered when samples of clonazolam were received in powdered and tablet form at a time when reference material for this drug was commercially unavailable. Therefore, microscale syntheses of clonazolam and its deschloro analog nitrazolam were developed utilizing polymer‐supported reagents starting from 2‐amino‐2'‐chloro‐5‐nitrobenzophenone (clonazolam) and 2‐amino‐5‐nitrobenzophenone (nitrazolam). The final reaction step forming the 1,2,4‐triazole ring moiety was performed within a gas chromatography–mass spectrometry (GC–MS) injector. A comparison with a preparative scale synthesis of both benzodiazepine derivatives showed that microscale synthesis might be an attractive option for a forensic laboratory in terms of time and cost savings when compared with traditional methods of synthesis and when qualitative identifications are needed to direct forensic casework. The reaction by‐product profiles for both the micro and the preparative scale syntheses are also presented.
Confirmatory factor analysis of the Eating Disorder Examination‐Questionnaire: A comparison of five factor solutions across vegan and omnivore participants
Authors: Heiss Sydney , Boswell James F. , Hormes Julia M.
Published: March 2018

Objective

The Eating Disorder Examination‐Questionnaire (EDE‐Q) is a valid and reliable measure of eating‐related pathology, but its factor structure has proven difficult to replicate. Given differences in dietary patterns in vegans compared to omnivores, proper measurement of eating disorder symptoms is especially important in studies of animal product avoiders.

Method

This study compared goodness‐of‐fit of five alternative models of the EDE‐Q in vegans (i.e., individuals refraining from all animal products, n = 318) and omnivores (i.e., individuals not restricting intake of animal products, n = 200). Confirmatory factor analyses were used to compare fit indices of the original four‐factor model of the EDE‐Q, along with alternative three‐, two‐, full one‐, and brief one‐factor models.

Results

No model provided adequate fit of the data in either sample of respondents. The fit of the brief one‐factor model was the closest to acceptable in omnivores, but did not perform as well in vegans. Indicators of fit were comparable in vegans and omnivores across all other models.

Discussion

Our data confirm difficulties in replicating the proposed factor structure of the EDE‐Q, including in vegans. More research is needed to determine the suitability of the EDE‐Q for quantifying eating behaviors, including in those abstaining from animal products.
Nickel(II) Complexes as Paramagnetic Shift and paraCEST Agents
Authors: Abozeid Samira M. , Snyder Eric M. , Lopez Alejandra P. , Steuerwald Charles M. , Sylvester Eric , Ibrahim Kamal M. , Zaky Rania R. , Abou‐El‐Nadar Hamed M. , Morrow Janet R.
Published: March 2018

Five NiII macrocyclic complexes are studied as water proton shift agents and as paraCEST agents (paraCEST = paramagnetic chemical exchange saturation transfer) for MRI applications. The five macrocycles have amide and/or alcohol pendent groups with either tetraaza‐ or triazamacrocycles including 1,1′,1′′‐(1,4,7‐triazonane‐1,4,7‐triyl)tris(propan‐2‐ol) (L1), 1,1′,1′′,1′′′‐(1,4,7,10‐tetraazacyclododecane‐1,4,7,10‐tetra)tetrakis(propan‐2‐ol) (L2), 1,1′,1′′,1′′′‐(1,4,8,11‐tetraazacyclotetradecane‐1,4,8,11‐tetrayl)tetrakis(propan‐2‐ol) (L3), 2,2′,2′′‐(1,4,7‐triazonane‐1,4,7‐triyl)triacetamide (L4), or 2,2′‐(7‐benzyl‐1,4,7‐triazonane‐1,4‐diyl) diacetamide (L5). Solution magnetic moments are consistent with paramagnetic NiII complexes. The complexes are characterized by pH‐potentiometric titrations to determine the pKa values of the bound amide or alcohol pendents or water ligand. Variable temperature 17O NMR studies are consistent with a water ligand in [Ni(L5)]2+ with an exchange rate constant of 4 × 104 s–1. All NiII complexes produce a substantial hyperfine shift of bulk water proton resonances. The smallest shifts are observed for [Ni(L4)]2+, which lacks alcohol pendents or bound water and the largest are observed for [Ni(L5)]2+ which contains a bound water molecule. The alcohol‐appended complexes, [Ni(L2)]2+ and [Ni(L3)]2+ produce CEST spectra with far‐shifted peaks of low intensity at 94 and 104 ppm versus bulk water, whereas [Ni(L5)]2+ shows a CEST peak at δ = 72 ppm.
Versatile IR Spectroscopy Combined with Synchrotron XAS–XRD: Chemical, Electronic, and Structural Insights during Thermal Treatment of MOF Materials
Authors: Hinokuma Satoshi , Wiker Geir , Suganuma Takuya , Bansode Atul , Stoian Dragos , Huertas Silvia Caminero , Molina Sonia , Shafir Alexandr , Rønning Magnus , van Beek Wouter , Urakawa Atsushi
Published: March 2018

Understanding the physicochemical origin of functional materials generally requires multifaceted information on their material characteristics, which are investigated by various analytical methods. In this respect, a simultaneous multiprobe approach to studying materials by complementary methods is of great value, particularly following dynamically varying processes, such as chemical and structural transformations under reactive environments. Herein, we report facile and versatile approaches to combining synchrotron X‐ray absorption spectroscopy and X‐ray diffraction with IR spectroscopy, in transmission and diffuse‐reflection sampling configurations, to study pellet samples under controlled environments. The high practicality of the approach is enabled by the use of a modular IR spectrometer. Rich information on the chemical, electronic, and structural changes of Zr–BTC and Cu–BTC MOFs during thermal treatment has been gained by the multiprobe approach. The advantages and practical challenges of the combined approaches are discussed.
Phosphasalen vs. Salen Ligands: What Does the Phosphorus Change?
Authors: Marín Irene Mustieles , Auffrant Audrey
Published: March 2018

Invited for the cover of this issue is Audrey Auffrant from CNRS‐Ecole polytechnique, France. The cover image shows the differences between salen and phosphasalen ligands.
Total Synthesis of Marine Alkaloid Hyellazole and its Derivatives
Authors: Chakraborty Suchandra , Saha Chandan
Published: March 2018

The total synthesis of the naturally occurring marine alkaloids hyellazole and chlorohyellazole was attempted from the corresponding easily accessible 2‐methyl‐1‐ketotetrahydrocarbazoles obtained through the Japp–Klingemann reaction, followed by Fischer indole cyclization and subsequent Grignard coupling with phenylmagnesium bromide. Grignard coupling with 2‐methyl‐1‐ketotetrahydrocarbazole unfortunately led directly to 2‐methyl‐1‐phenylcarbazole through dehydration followed by aromatization through aerial oxidation, but application of the same reaction conditions to 6‐chloro‐2‐methyl‐2,3,4,9‐tetrahydro‐1H‐carbazol‐1‐one, with careful treatment, led to the isolation of 6‐chloro‐2‐methyl‐1‐phenyl‐4,9‐dihydro‐3H‐carbazole. However, selenium dioxide oxidation of this dihydrochloro derivative led to the formation of 6‐chloro‐2‐methyl‐1‐phenyl‐9H‐carbazole. A different route was then adopted: a suitably substituted aromatic amine was used to establish the substitution pattern of the required carbazole derivative with a bromo group at C‐1, and the required phenyl group at the 1‐postion was then attached through Suzuki–Miyaura cross‐coupling to furnish hyellazole.
The Wonderful Chemistry of Trifluoromethyl α‐Haloalkenyl Ketones
Authors: Rulev Alexander Yu.
Published: March 2018

Fluorinated α‐bromoenones have received considerable attention in the last decade. Their ability to react in 1.2‐ and 1.4‐addition modes, together with the presence of bromine, makes them valuable fluorinated building blocks in organic synthesis. This review focuses on the unusual and often unpredictable transformations of these compounds on treatment with nitrogen nucleophiles.
The EI‐MS Fragmentation Mechanisms of Bacterial Sesquiterpenes and Diterpenes
Authors: Rinkel Jan , Rabe Patrick , Dickschat Jeroen S.
Published: March 2018

The EI‐MS fragmentation mechanisms of one bacterial sesquiterpene alcohol and four diterpene hydrocarbons have been investigated by using all 15 or 20 enzymatically synthesised 13C1‐labelled isotopomers of each molecule. A position‐specific mass shift analysis indicated the parts of the carbon backbone that form each fragment ion. Plausible fragmentation mechanisms have been developed and further strengthened by HR‐MS/MS analyses.
Recent Advances in [Cp*MIII] (M = Co, Rh, Ir)‐Catalyzed Intramolecular Annulation Through C–H Activation
Authors: Peneau Augustin , Guillou Catherine , Chabaud Laurent
Published: March 2018

This review aims to summarize the recent advances in the field of Cp*MIII (Co, Rh, Ir)‐catalyzed C–H activation followed by subsequent intramolecular reaction. This approach has allowed the synthesis of valuable heterocycles with high structural diversity and complexity, including polycyclic and macrocyclic compounds. In this review, a particular attention has been made to the nature of the coupling partner (alkene, alkyne, etc) and its connection either to the aryl (or vinyl) group or to the directing group. Hence, different types of transformation can occur, involving one or two cyclizations depending on the nature of the directing group. Finally, we discuss some mechanistical aspects (role of the external or internal oxidation, etc) to account for the formation of the cyclic structures.
Electrocatalytic Oxidation and Flow Injection Analysis of Isoniazid Drug Using an Unmodified Screen Printed Carbon Electrode in Neutral pH
Authors: Gopinathan Manavalan , Thiyagarajan Natarajan , Thiruppathi Murugan , Zen Jyh‐Myng
Published: March 2018

In this work we report electrocatalytic oxidation and flow injection analysis of tuberculostatic drug isoniazid (INZ) based on a disposable and unmodified screen printed carbon electrode (SPCE). Instead of using chemically modified electrode to increase the sensitivity at low overpotential, the same purpose can be achieved simply by preanodization of a bare SPCE in a suitable electrolyte medium. Surface characterization of the as‐preanodized electrode by X‐ray photoelectron spectroscopy and Raman spectroscopy indicate that both oxygen functionalities and edge/defect sites effectively assist the INZ oxidation. Flow injection analysis extends its applicability with a wide linear range up to 1 mM and an enhanced sensitivity of 100 nA μM−1 with a low detection limit of 2.7 nM (S/N=3). These good analytical features accomplished with disposable and economical devices could make possible the implementation of this methodology for INZ on‐line monitoring in pharmaceuticals.
3D‐Printed, Carbon‐Nanotube‐Wrapped, Thermoresponsive Polymer Spheres for Safer Lithium‐Ion Batteries
Authors: Huang Zhi Xiang , Sim Glenn Joey , Tan Jeck Chuang , Low Hong Yee , Yang Hui Ying
Published: March 2018

Safety of lithium‐ion batteries (LIBs) has persistently plagued their development, despite widespread commercialization and usage. Thermal runaway is a notorious event where the overheating of the LIB results in a chain of events leading to the catastrophic failure of the device. Here, an in situ safety mechanism that shutdowns the LIB at critical temperatures before the onset of thermal runaway is developed. This is achieved by the deposition of thermal responsive polyethylene (PE) microspheres coated with multiwalled carbon nanotubes (CNTs) on electrodes via 3D printing. Rapid shutdown of LIB full cells under 60 s with ≈1 mg of additive is demonstrated. The mechanism of the shutdown is investigated through post‐mortem analysis of the heat‐treated cells that provides evidence of the formation of an insulating PE film that prevents ionic flow, disabling the LIB. Further, galvanostatic cycling of CNT‐coated PE‐loaded cells is used to demonstrate the advantages of the approach, where the precise and low loading of the conductive additive exhibits no impact on the full cell normal operation.
Controlling Competitive Side Reactions in the Electrochemical Upgrading of Furfural to Biofuel
Authors: Jung Sungyup , Biddinger Elizabeth J.
Published: March 2018

Furfural (FF) is obtained from lignocellulosic biomass and is a promising platform chemical that can produce valuable chemicals including furfuryl alcohol (FA) and 2‐methylfuran (MF). We synthesized both FA and MF using electrochemical hydrogenation and hydrogenolysis (ECH) of FF in acidic electrolyte using a Cu electrode. We investigated the role of concurrent side reactions including the hydrogen evolution reaction (HER) and polymerization of furanic compounds during ECH, as well as the potential dependence of the reaction pathway for ECH of FF. As the magnitude of applied potential increased, both ECH and HER were promoted. Polymerization of furanic compounds was diminished by lowering the initial concentration of FF, but at a cost of increased the HER activity. In contrast, higher concentrations of FF suppressed the HER, though excessive initial concentrations of FF resulted in lowering the activity of both ECH and the HER due to a polymeric film being formed on the electrode. The highest mole balances and faradaic efficiencies towards ECH were achieved at −0.5 V, though at the expense of lower conversions of FF than those obtained at greater overpotentials. We also found that the ECH of FF followed two parallel reactions to independently produce FA and MF on Cu in 0.5 m H2SO4 regardless of the applied potential.
Geomorphological changes in an arid transgressive coastal dune field due to natural processes and human impacts
Authors: Hernández‐Cordero Antonio I. , Hernández‐Calvento Luis , Hesp Patrick A. , Pérez‐Chacón Emma
Published: March 2018

Geomorphological changes in recent decades in an arid transgressive coastal dune system (Maspalomas, Gran Canaria, Canary Islands) are analyzed. The methodology used is based on the generation of two geomorphological maps (1961 and 2003) by interpretation of digital orthophotos. The overlay of both maps in a geographic information system (GIS) enabled the spatial and surface changes of the landforms to be determined, and the processes that generated these changes. Twelve cultural and geomorphological processes were identified from highest to lowest importance, namely: anthropization by urban occupation (114 ha changed), stabilization (92.5 ha), barchanization (37 ha), salinization/halophytication (15 ha), anthropization (12.4 ha), deflation (11.8 ha), dune loss/beach gain (11.3 ha), dune formation (9.6 ha), progradation (8 ha), retrogradation (7.7 ha), destabilization (2.7 ha) and flooding (0.7 ha). Geomorphological changes are associated with a combination of five main factors, three of anthropogenic origin and two natural ones. The natural factors are: (1) the arid climate, which favors changes occurring at high speed; (2) the existence of a progressive sedimentary deficit. Anthropogenic factors are: (3) construction of tourist urbanizations, infrastructures and facilities; (4) installation of equipment or infrastructure on the beaches; (5) the activities carried out by users. These human factors have altered the aeolian dynamics and reduced the area occupied by vegetation in some areas, causing changes in aeolian sedimentary processes. The geomorphological processes identified can be used as indicators of environmental change, allowing us to synthesize the changes in landforms detected, and group all combinations derived from the analysis by GIS and analyze them spatially. Thus, the environmental changes in the transgressive coastal dune systems could be interpreted more effectively. Copyright © 2018 John Wiley & Sons, Ltd.
Heat release rate determination of pool fire at different pressure conditions
Authors: Ma Qiuju , Chen Jiachen , Zhang Hui
Published: March 2018

This research deals with the experimental determination of the heat release rate (HRR) of n‐heptane pool fire at different pressure conditions based on oxygen consumption method. The method, initially developed for open atmosphere fires, is modified for pool fires in ventilated chamber under different pressure conditions. The calculation equation of the HRR with consideration of ambient pressure is presented. The experiments are performed in the large‐scale ventilated altitude chamber of size 2 × 3 × 4.65 m under series of pressure, 24, 38, 64, and 75 to 90 kPa. Based on the experimental data, the effects of pressure on the mass burning rate and HRR are discussed; meanwhile, the calculation method of HRR is verified. The results show that the mean mass burning rate at the steady burning stage increases exponentially with pressure as
, with α = 0.68. The maximum HRR increases from 27 to 63 kW as the pressure rises from 24 to 90 kPa. It is concluded that the ambient pressure has a significant effect on the fire HRR and will further influence on other fire parameters.
Freshwater ecoacoustics as a tool for continuous ecosystem monitoring
Authors: Linke Simon , Gifford Toby , Desjonquères Camille , Tonolla Diego , Aubin Thierry , Barclay Leah , Karaconstantis Chris , Kennard Mark J , Rybak Fanny , Sueur Jérôme
Published: March 2018

Passive acoustic monitoring is gaining popularity in ecology as a practical and non‐invasive approach to surveying ecosystems. This technique is increasingly being used to monitor terrestrial systems, particularly bird populations, given that it can help to track temporal dynamics of populations and ecosystem health without the need for expensive resampling. We suggest that underwater acoustic monitoring presents a viable, non‐invasive, and largely unexplored approach to monitoring freshwater ecosystems, yielding information about three key ecological elements of aquatic environments – (1) fishes, (2) macroinvertebrates, and (3) physicochemical processes – as well as providing data on anthropogenic noise levels. We survey the literature on this approach, which is substantial but scattered across disciplines, and call for more cross‐disciplinary work on recording and analysis techniques. We also discuss technical issues and knowledge gaps, including background noise, spatiotemporal variation, and the need for centralized reference collection repositories. These challenges need to be overcome before the full potential of passive acoustics in dynamic detection of biophysical processes can be realized and used to inform conservation practitioners and managers.
Resampling strategies to improve surrogate model‐based uncertainty quantification: Application to LES of LS89
Authors: Roy Pamphile T. , Segui Luis Miguel , Jouhaud Jean‐Christophe , Gicquel Laurent
Published: March 2018

Uncertainty quantification (UQ) is receiving more and more attention for engineering applications particularly from robust optimization. Indeed, running a computer experiment only provides a limited knowledge in terms of uncertainty and variability of the input parameters. These experiments are often computationally expensive, and surrogate models can be constructed to address this issue. The outcome of an uncertainty quantification study is, in this case, directly correlated to the surrogate's quality. Thus, attention must be devoted to the design of experiments to retrieve as much information as possible. This work presents 2 new strategies for parameter space resampling to improve a Gaussian process surrogate model. These techniques indeed show an improvement of the predictive quality of the model with high‐dimensional analytical input functions. Finally, the methods are successfully applied to a turbine blade large‐eddy simulation application: the aerothermal flow around the LS89 blade cascade.
Effects of gamma radiation combined with cinnamon oil on qualities of smoked salmon slices inoculated with Shewanella putrefaciens
Authors: Lyu Fei , Gao Fei , Ding Yuting
Published: March 2018

Smoked salmon slices inoculated with Shewanella putrefaciens were untreated (CK) or treated with 2 kGy gamma radiation (G), 1% (v/v) cinnamon oil (C), or the combination of them (G+C), and then packaged and stored at 4°C for 10 days. Microbiological and physiochemical analyses were then carried out. All treatments showed a better effect on inhibiting the increase in total viable counts, total volatile basic nitrogen, and thiobarbituric acid‐reactive substances than CK, especially the treatment of G+C. In addition, the combination treatment also showed a best effect on retarding the reduction in polyunsaturated fatty acids of salmon samples in all treatments. These results indicated that treatments of gamma radiation and cinnamon oil on salmon samples, especially the combination treatment, can be used to maintain the quality of smoked salmon slices.
The effect of replacing egg yolk with sesame–peanut defatted meal milk on the physicochemical, colorimetry, and rheological properties of low‐cholesterol mayonnaise
Authors: Karshenas Mahsa , Goli Mohammad , Zamindar Nafiseh
Published: March 2018

Egg yolk was replaced with sesame–peanut meal milk in mayonnaise in the levels of 0, 25%, 50%, 75%, and 100%. The pH was significantly decreased by increasing the percentage of replacement in all three kinds of replacement (p < .05). However, over the whole period, no significant difference was observed in the acidity. The mayonnaise samples, except for the replacements of 50%, were desirable in terms of physical and thermal stability. A significant decrease was seen in lightness (L*) and yellowness (b*) of the samples as a result of an increase in the percentage of replacements (p < .05). In the power law model, the flowing index amount (n) of all samples was in the domain between zero and one, which served as evidence for pseudoplastic behavior (dilatant with shear) of mayonnaise samples. The positive results are employing suitably the sesame–peanut meal milk instead of egg yolk, decreasing the cholesterol of mayonnaise and increasing its nutritional value, proposing mayonnaise factories to make use of the meal of the oil extraction factory as emulsifier, which lead to a decrease in overall costs of producing these products.
Nutrient and aflatoxin contents of traditional complementary foods consumed by children of 6–24 months
Authors: Alamu Emmanuel Oladeji , Gondwe Therese , Akello Juliet , Sakala Nancy , Munthali Grace , Mukanga Mweshi , Maziya‐Dixon Busie
Published: March 2018

The nutrient composition and safety of complementary foods have recently become areas of concern, especially with regard to aflatoxin contamination which has been found to adversely affect health outcomes. This study presents the nutrient and aflatoxin contents of complementary foods consumed by children (6–24 months) and infants and young child feeding practices of mothers from two districts in eastern and southern Zambia. A total of 400 mother–child pairs were recruited from Monze and Chipata districts, and data on breastfeeding and complementary feeding practices were collected twice at 3‐month interval using a structured questionnaire. Samples of two traditional complementary foods (Maize Nshima and Maize porridge) were collected from the mothers and analyzed for nutrient contents and aflatoxin contamination. The results showed that there is a high level of awareness on exclusive breastfeeding among mothers. Fat, protein, carbohydrate, and ash contents of Maize nshima from Chipata were significantly lower (p < .05) compared to those from Monze district except for starch and sugar. Monze mothers preferred to prepare a thicker Maize nshima and Maize porridge compared to their Chipata counterparts. The aflatoxin contamination showed that the Maize porridge samples from Chipata were the most contaminated with mean aflatoxin content of 5.8 ± 15.93 mg/100 g, while Maize nshima was the most contaminated of the two complementary foods from Monze districts with mean aflatoxin level of 3.8 ± 6.41 mg/100 g. There were significant (p < .05) positive correlations between fat and aflatoxin contents for Chipata samples (r = .12409) and for Monze samples (r = .13666). The traditional complementary foods studied were found to be low in fat and protein and high in aflatoxin contamination. Thus, it is imperative that best practices and interventions are designed and introduced to reduce the possible lethal health implications of consumption of such complementary foods by children under 5 years.
Effect of drying methods on the retention of bioactive compounds in African eggplant
Authors: Mbondo Naomi N. , Owino Willis O. , Ambuko Jane , Sila Daniel N.
Published: March 2018

African eggplants (Solanum aethiopicum L.) are a rich source of bioactive compounds and functional constituents that are beneficial to human health. However, the short shelf life of these vegetables can be a major cause of postharvest losses especially during peak harvesting season. Drying is one of the most convenient technologies for the production of shelf stable food products. However, drying can lead to considerable loss of the available bioactive compounds due to thermal degradation depending on the drying method and temperature conditions. This study investigated the effect of four drying methods (solar, oven, vacuum, and freeze) on the retention of total phenolics, beta‐carotene, antioxidant capacity, and lycopene in five African eggplant (S. aethiopicum) accessions (sangawili, manyire green, S00047A, AB2, and aubergine blanche). Samples were dried up to ~10% moisture content. The fresh and dried samples were analyzed for total phenolic content, antioxidant capacity, beta‐carotene content, and the lycopene content. In the fresh state, beta‐carotene, total phenolic content, and free radical scavenging activity ranged between 14.75 ± 0.50 and 29.50 ± 0.77 mg/100 g db, 751.21 ± 1.73 and 1,363.95 ± 2.56 mg/100 g GAE db, and 99.58 and 325.61 mg/ml db IC50 value, respectively. The accession S00047 showed highest total phenolic content and lowest IC50 value in the fresh samples. The results also showed that total phenolic content, antioxidant capacity, and beta‐carotene contents were significantly (p < .05) affected by drying method and drying temperature with freeze‐drying presenting the highest retention. Overall, 36.26%s–95.05% (total phenolics) and 31.44%–99.27% (beta‐carotene) were retained during freeze‐drying. Lycopene was only detected in the dried samples of the accession manyire green but absent in all the fresh samples of all the accessions. This study demonstrates that freeze‐drying was the most effective in retaining the highest bioactive compounds in African eggplants.
Analysis of the clientele effect and the information content of short‐term index option returns in Taiwan
Authors: Pan Ging‐Ginq , Shiu Yung‐Ming , Wu Tu‐Cheng
Published: March 2018

We compare and contrast the clientele effect, information content and the buy‐and‐ hold returns of options with weekly and monthly expiration periods (Weeklys and Monthlys) traded on the Taiwan Stock Exchange Capitalization‐weighted Stock Index (TAIEX). No significant clientele effect is discernible in either market. Furthermore, Weeklys has the wider bid‐ask spread and lower depth clearly implies greater information asymmetry than Monthlys. Unlike Weeklys, Monthlys are found to play a leading informational role in TAIEX returns. We further observe that both types of options have significantly negative returns.