bluuebunny/crossref_metadata_2025 huggingface dataset:
Quantifying the impacts of vegetation changes on catchment storage‐discharge dynamics using paired‐catchment data
Authors: Cheng Lei , Zhang Lu , Chiew Francis H. S. , Canadell Josep G. , Zhao Fangfang , Wang Ying‐Ping , Hu Xianqun , Lin Kairong
Published: July 2017

It is widely recognized that vegetation changes can significantly affect the local water availability. Methods have been developed to predict the effects of vegetation change on water yield or total streamflow. However, it is still a challenge to predict changes in base flow following vegetation change due to limited understanding of catchment storage‐discharge dynamics. In this study, the power law relationship for describing catchment storage‐discharge dynamics is reformulated to quantify the changes in storage‐discharge relationship resulting from vegetation changes using streamflow data from six paired‐catchment experiments, of which two are deforestation catchments and four are afforestation catchments. Streamflow observations from the paired‐catchment experiments clearly demonstrate that vegetation changes have led to significant changes in catchment storage‐discharge relationships, accounting for about 83–128% of the changes in groundwater discharge in the treated catchments. Deforestation has led to increases in groundwater discharge (or base flow) but afforestation has resulted in decreases in groundwater discharge. Further analysis shows that the contribution of changes in groundwater discharge to the total changes in streamflow varies greatly among experimental catchments ranging from 12% to 80% with a mean of 38 ± 22% (μ ± σ). This study proposed a new method to quantify the effects of vegetation changes on groundwater discharge from catchment storage and will improve our predictability about the impacts of vegetation changes on catchment water yields.
HYPPS: A hybrid geostatistical modeling algorithm for subsurface modeling
Authors: Tahmasebi Pejman
Published: July 2017

Dealing with complex and geologically realistic modeling of subsurface systems requires detailed spatial data sets. Such a big data can be usually provided through an image. Despite various developments, the training image‐based techniques are still not well‐designed for modeling multiscale and complex structures. Pixel‐based methods honor the conditioning point data with poor reproduction of large‐scale features, while some other techniques, termed pattern‐based, represent a superior reproduction of long‐range and complex structures and being biased around the conditioning data. In this paper, a new look at the geostatistical modeling using a hybrid pattern‐pixel‐based simulation (HYPPS) is proposed, wherein the pixel and pattern‐based techniques are used simultaneously. A perfect reproduction of the conditioning point data is achieved using the proposed HYPPS method. The algorithm is developed for single and multivariate simulations. This method is applied on different 2‐D/3‐D categorical data and the results show significant improvement over the previous techniques.
Electrochromically and Photochromically Controllable Multifunctional OligoEDOT Derivatives
Authors: Matsushita Satoshi , Jeong Yong Soo , Okada Yoshinori , Hayasaka Hiroyuki , Akagi Kazuo
Published: July 2017

Multifunctional conjugated co‐oligomers with electrochromic and photochromic properties are synthesized by a cross‐coupling polycondensation reaction between bis(trialkylstannyl)‐3,4‐ethylenedioxythiophene and a phenylene or thienylene derivative bearing a photoresponsive dithienylethene (DE) moiety. The oligomer exhibits a reversible change between the neutral and oxidized states of the main chain upon electrochemical doping and dedoping. Furthermore, the oligomer shows reversible photoisomerization between the open and closed forms of the DE group in the side chain upon irradiation with ultraviolet and visible light. As a consequence, the oligomers possess various electronic structures that show cyclically reversible changes via the electrochemical doping and dedoping, and photoisomerization, producing four types of colored films in an oligomer system. Among the four types of electronic structures, only the dopant‐free oligomer film with the open form of the DE group shows visible fluorescence. To the best of our knowledge, the present conjugated oligomers are the first to exhibit both electrochromic and photochromic functions with cyclical reversibility.
Role of Water in the Dynamic Crystallization of CuTCNQ for Enhanced Redox Catalysis (TCNQ = Tetracyanoquinodimethane)
Authors: Siu Mark C. , Anderson Samuel R. , Mohammadtaheri Mahsa , Ahmed Taimur , Walia Sumeet , Ramanathan Rajesh , Bansal Vipul
Published: July 2017

A new bisolvent approach is introduced to overcome the limitation of wet chemical routes of a semiconducting phase I CuTCNQ (7,7,8,8‐tetracyanoquinodimethane) synthesis, which currently does not allow these materials to be grown beyond certain dimensions (10–15 µm). The use of water as a cosolvent during acetonitrile‐mediated conventional synthesis of CuTCNQ allows a dynamic control over its crystallization and dissolution process through favorably shifting the reaction equilibrium. This enables CuTCNQ structures of unique morphologies with secondary growth, alongside dimensions exceeding 100 µm to be produced. These new morphologies of phase I CuTCNQ show remarkable promise in redox catalysis over their conventional counterparts by facilitating efficient charge transfer at the catalyst–reactant interface. As catalytic, sensing, and electronic performance of materials strongly depend upon their morphological characteristics, the concepts introduced here have potential applicability for controllable fabrication of a range of metal‐organic charge transfer complexes of technological importance.
Boosting Hydrogen Evolution Performance of MoS2 by Band Structure Engineering
Authors: Li Jing , Kang Jiahao , Cai Qian , Hong Wenting , Jian Chuanyong , Liu Wei , Banerjee Kaustav
Published: July 2017

Molybdenum sulfide (MoS2) has emerged as a promising electrocatalyst for hydrogen evolution reaction (HER) owing to its high activity and stability during the reaction. However, the efficiency of hydrogen production is limited by the number of active sites in MoS2. In this work, a simple method of fabricating polycrystalline multilayer MoS2 on Mo foil for efficient hydrogen evolution is demonstrated by controlling the sulfur (S) vacancy concentration, which can introduce new bands and lower the hydrogen adsorption free energy (ΔGH). For the first time, theoretical and experimental results show that the HER performance of synthesized MoS2 with S vacancy can be further enhanced by the very small amount of platinum (Pt) decoration, which can introduce new gap states and more catalytic sites in real space with suitable free energy. The fabricated hybrid electrocatalyst exhibits significantly smaller Tafel slope of 38 mV dec−1 and better HER electrocatalytic activity compared to previous works. This approach provides a simple pathway to design low‐cost, efficient and sizable hydrogen‐evolving electrode by simultaneously tuning the MoS2 band structure and active sites.
Trace‐Element Incorporation into Intracellular Pools Uncovers Calcium‐Pathways in a Coccolithophore
Authors: Gal Assaf , Sviben Sanja , Wirth Richard , Schreiber Anja , Lassalle‐Kaiser Benedikt , Faivre Damien , Scheffel André
Published: July 2017

Many organisms form minerals from precursor phases that crystallize under strict biological control. The dynamic intracellular processes of formation, transport, and deposition of these precursor phases are challenging to identify. An unusual situation is recently revealed for the calcifying alga Emiliania huxleyi, as the cells contain a compartment filled with a concentrated Ca and P phase but the final calcite crystals, which are nucleated in a different compartment, are P‐free. Thus, the connection of the Ca–P‐rich pool to the mineralization process remains unclear. Here, pulse‐chase experiments are used with Sr to label the Ca–P‐rich phase in E. huxleyi cells, and cryo X‐ray absorption spectroscopy and analytical transmission electron microscopy to follow the Sr within cells. It is found that Sr is first found in the Ca–P‐rich phase and then becomes incorporated into the calcite. This demonstrates that the calcium used by the cells to build calcite originates from the Ca–P‐rich pool.
An Important Function of Petrosiol E in Inducing the Differentiation of Neuronal Progenitors and in Protecting Them against Oxidative Stress
Authors: Liu Jing , Wang Linlin , Du Yuguo , Liu Sijin
Published: July 2017

Insufficient endogenous neurotrophin supply contributes to neurodegeneration. Meanwhile, neuronal injuries are also attributed to oxidative stress upon toxin exposure. Thus, reconstruction neurite extension and antioxidative stress are the potential strategies for ameliorating neuronal injuries. However, there is no well‐defined therapeutic developed in this regard. In search of such therapeutics, Petrosiol E is identified here as a potent inducer to guide the differentiation of neuronal progenitor cells. Petrosiol E also considerably promotes embryonic stem cell differentiation into neural ectoderm features. Moreover, Petrosiol E reveals an antioxidant function to protect cells from oxidative stress induced by arsenic. Moreover, the molecular mechanism underlying Petrosiol E‐induced neuronal differentiation is uncovered: (a) enhancement of NF‐E2‐related factor 2 (Nrf 2) activity in driving neuronal differentiation; (b) diminishment of oxidative stress. Petrosiol E activates the mitogen‐activated protein kinase and serine/threonine kinase signaling to enhance the activity of Nrf 2. As a result of enhanced Nrf 2 activity, neuronal differentiation is accelerated, and the cellular antioxidation responses are also enforced, even under arsenic‐induced neurotoxicity. Together, the combined results unveil a desirable role of Petrosiol E in driving neuronal differentiation and in combating oxidative stress. This study would open an avenue to develop new therapeutics based on Petrosiol compounds to treat neurodegenerative diseases.
Delineating the Mechanism of Ionic Liquids in the Synthesis of Quinazoline‐2,4(1H,3H)‐dione from 2‐Aminobenzonitrile and CO2
Authors: Hulla Martin , Chamam Sami M. A. , Laurenczy Gabor , Das Shoubhik , Dyson Paul J.
Published: July 2017

Ionic liquids (ILs) are versatile solvents and catalysts for the synthesis of quinazoline‐2,4‐dione from 2‐aminobenzonitrile and CO2. However, the role of the IL in this reaction is poorly understood. Consequently, we investigated this reaction and showed that the IL cation does not play a significant role in the activation of the substrates, and instead plays a secondary role in controlling the physical properties of the IL. A linear relationship between the pKa of the IL anion (conjugate acid) and the reaction rate was identified with maximum catalyst efficiency observed at a pKa of >14.7 in DMSO. The base‐catalyzed reaction is limited by the acidity of the quinazoline‐2,4‐dione product, which is deprotonated by more basic catalysts, leading to the formation of the quinazolide anion (conjugate acid pKa 14.7). Neutralization of the original catalyst and formation of the quinazolide anion catalyst leads to the observed reaction limit.
Sulfur‐33 Isotope Tracing of the Hydrodesulfurization Process: Insights into the Reaction Mechanism, Catalyst Characterization and Improvement
Authors: Sushkevich Vitaly L. , Popov Andrey G. , Ivanova Irina I.
Published: July 2017

The novel approach based on 33S isotope tracing is proposed for the elucidation of hydrodesulfurization (HDS) mechanisms and characterization of molybdenum sulfide catalysts. The technique involves sulfidation of the catalyst with 33S‐isotope‐labeled dihydrogen sulfide, followed by monitoring the fate of the 33S isotope in the course of the hydrodesulfurization reaction by online mass spectrometry and characterization of the catalyst after the reaction by temperature‐programmed oxidation with mass spectrometry (TPO‐MS). The results point to different pathways of thiophene transformation over Co or Ni‐promoted and unpromoted molybdenum sulfide catalysts, provide information on the role of promoter and give a key for the design of new efficient HDS catalysts.
The composite catalysts of Cu/CuxO nanoparticles supported on the carbon fibers were prepared for styrene oxidation reaction
Authors: Mu Hongchun , Li Chunping , Bai Jie
Published: July 2017

In this paper a novel simple method for preparing two different catalysts with various‐valences copper was reported. Carbon nanofibers supported copper‐cuprous oxide nanoparticles (Cu‐Cu2O NPs/CNFs) and copper oxide nanoparticles (CuO NPs/CNFs) through electrospinning, adsorption and reduction in the high‐pressure hydrogenation and the high‐temperature calcination methods. These catalysts were investigated by a series of characterizations and were applied in reaction in nitrogen atmosphere, which had a good catalytic activity and selectivity of benzaldehyde for the reaction. Above all, the new study has been certified clearly, in which Cu‐Cu2O NPs/CNFs and CuO NPs/CNFs composite catalysts enhanced the generation of benzaldehydeand the excellent catalytic properties were exhibited.
Assembly immobilized palladium(0) on carboxymethylcellulose/Fe3O4 hybrid: An efficient tailor‐made magnetically catalyst for the Suzuki–Miyaura couplings
Authors: Zhang Zhuan , Zhang Yizong , Liu Xiaoping , Shen Binbin , Zhang Tianzhu , Li Yiqun
Published: July 2017

The Pd nanoparticles (Pd NPs) embedded on magnetically retrievable carboxymethylcellulose/Fe3O4 (Pd0@CMC/Fe3O4) organic/inorganic hybrid were prepared via the conventional simple process. The presence of the hydroxyl and carboxyl groups within the framework of the magnetic hybrid enables the facile preparation and stabilization of Pd NPs in this organic/inorganic hybrid. This hybrid catalyst was very effective in the Suzuki–Miyaura reaction of a variety of aryl halides with arylboronic acid to afford excellent product yields. The catalyst showed good stability and could be easily recovered with an external magnetic field and reused for several times without a significant loss in its catalytic activity. Furthermore, the Pd0@CMC/Fe3O4 hybrid catalyst was fully characterized by UV–Vis, FT–IR, XRD, SEM, EDX, TEM, XPS and TGA techniques. The hot filtration test suggests that a homogeneous mechanism is operative in Suzuki–Miyaura reaction.
The Limits of Social Protection: The Case of Hydropower Dams and Indigenous Peoples' Land
Authors: Cooke Fadzilah Majid , Nordensvard Johan , Saat Gusni Bin , Urban Frauke , Siciliano Giuseppina
Published: July 2017

Hydropower dams have been criticised for their social and environmental implications. There have been attempts to create international social standards for hydropower dam projects, but these standards have had limited impact. This article uses an extended environmental justice framework to make sense of the resettlement and compensation schemes for Indigenous peoples who were resettled for the construction of the Bakun dam in Borneo, East Malaysia. The article therefore analyses the social protection measures designed for the protection of Indigenous peoples and their livelihoods. The case study is based on in‐depth interviews and focus group discussions with local communities, institutional actors in Malaysia, Chinese actors and dam builders. The article concludes that the social protection policies did not protect Indigenous people and their land sufficiently, but it facilitated a commodification process of both land and people. This should also be understood as a colonisation of their land and their cultures.
Optimal Control Problem for Risk‐Sensitive Mean‐Field Stochastic Delay Differential Equation with Partial Information
Authors: Ma Heping , Liu Bin
Published: July 2017

This paper deals with the risk‐sensitive control problem for mean‐field stochastic delay differential equations (MF‐SDDEs) with partial information. Firstly, under the assumptions that the control domain is not convex and the value function is non‐smooth, we establish a stochastic maximum principle (SMP). Then, by means of Itô's formula and some continuous dependence, we prove the existence and uniqueness results for another type of MF‐SDDEs. Meanwhile, the verification theorem for the MF‐SDDEs is obtained by using a clever construction of the Hamiltonian function. Finally, based on our verification theorem, a linear‐quadratic system is investigated and the optimal control is also derived by the stochastic filtering technique.
Increasing the Cleaning Efficiency of the Cleaning‐in‐Place Method by Applying Discontinuous Liquid Jets
Authors: Fuchs Enrico , Helbig Manuel , Pfister Marius , Majschak Jens‐Peter
Published: July 2017

Hohe Kosten für die Reinigung von Maschinen und Anlagen führen zu Bestrebungen, diese hinsichtlich Reinigungszeit und ‐flüssigkeitseinsatz zu optimieren. Ein Ansatz ist die Anwendung diskontinuierlicher Flüssigkeitsstrahlen. Hierfür wurden zwei Strömungsarten hinsichtlich ihrer effizienzsteigernden Wirkung für zwei Lebensmittelbestandteile Xanthan und Stärke untersucht. Im Ergebnis konnte der Reinigungsflüssigkeitsverbrauch für einzelne Betriebspunkte um die Hälfte gesenkt werden. Die Reinigungszeit sank bei der Xanthanverschmutzung ebenfalls, wohingegen sie bei Stärke gleich oder höher war.
Efficient Discrete Element Method Simulation Strategy for Analyzing Large‐Scale Agitated Powder Mixers
Authors: Siegmann Eva , Jajcevic Dalibor , Radeke Charles , Strube Dieter , Friedrich Karsten , Khinast Johannes G.
Published: July 2017

Powder mixing is one of the most important pharmaceutical manufacturing operations. Computation methods are required to transform mixer design and scale‐up from art to science. Due to an increase in the computational power and the development of graphics cards, the discrete element method is becoming a widely‐used technique. For an industrial granular mixer, it is demonstrated that a smart simulation strategy together with a highly efficient code can reduce the simulation time. The good agreement between simulation and measurement data confirms that the simulation strategy can be applied to the product development.
Exploring the Influence of Shapes and Heterogeneity of Glyco‐Gold Nanoparticles on Bacterial Binding for Preventing Infections
Authors: Toraskar Suraj , Gade Madhuri , Sangabathuni Sivakoti , Thulasiram Hirekodathakallu V. , Kikkeri Raghavendra
Published: July 2017

To investigate the effects of the heterogeneity and shape of glyco‐nanoprobes on carbohydrate–protein interactions (CPIs), α‐d‐mannose‐ and β‐d‐galactose‐linked homo‐ and heterogeneous glycodendrons were synthesized and immobilized on spherical and rod‐shaped gold nanoparticles (AuNPs). Lectin and bacterial binding studies of these glyco‐AuNPs clearly illustrate that multivalency and shape of AuNPs contribute significantly to CPIs than the heterogeneity of glycodendrons. Finally, bacterial infection of HeLa cells was effectively inhibited by the homogeneous glycodendron‐conjugated rod‐shaped AuNPs relative to their heterogeneous counterparts. Overall, these results provide insight into the role of AuNP shape and multivalency as potential factors to regulate CPIs.
The role of early magnetic resonance imaging in predicting survival on bevacizumab for recurrent glioblastoma: Results from a prospective clinical trial (CABARET)
Authors: Field Kathryn M. , Phal Pramit M. , Fitt Greg , Goh Christine , Nowak Anna K. , Rosenthal Mark A. , Simes John , Barnes Elizabeth H. , Sawkins Kate , Cher Lawrence M. , Hovey Elizabeth J. , Wheeler Helen
Published: July 2017

BACKGROUND

Bevacizumab has been associated with prolonged progression‐free survival for patients with recurrent glioblastoma; however, not all derive a benefit. An early indicator of efficacy or futility may allow early discontinuation for nonresponders. This study prospectively assessed the role of early magnetic resonance imaging (eMRI) and its correlation with subsequent routine magnetic resonance imaging (MRI) results and survival.

METHODS

Patients were part of a randomized phase 2 clinical trial (CABARET) comparing bevacizumab with bevacizumab plus carboplatin for recurrent glioblastoma. eMRI was conducted after 4 weeks in the trial (after 2 treatments with bevacizumab [10 mg/kg every 2 weeks]). The results were compared with the results of the subsequent 8‐week MRI standard.

RESULTS

For 119 of 122 patients, eMRI was available, and 111 had subsequent MRI for comparison. Thirty‐six (30%) had an early radiological response, and 17 (14%) had progressive disease. The concordance between eMRI and 8‐week MRI was moderate (κ = 0.56), with most providing the same result (n = 79 [71%]). There was strong evidence that progression‐free survival and overall survival were predicted by the eMRI response (both P values < .001). The median survival was 8.6 months for an eMRI response, 6.6 months for stable disease, and 3.7 months for progressive disease; the hazard ratio (progressive disease vs stable disease) was 3.4 (95% confidence interval, 1.9‐6.0). Landmark analyses showed that eMRI progression was a strong predictor of mortality independent of other potential baseline predictors.

CONCLUSIONS

In this study, early progression on MRI appears to be a robust marker of a poor prognosis for patients on bevacizumab. Cancer 2017;123:3576‐82. © 2017 American Cancer Society.
Integration of element specific persistent homology and machine learning for protein‐ligand binding affinity prediction
Authors: Cang Zixuan , Wei Guo‐Wei
Published: July 2017

Protein‐ligand binding is a fundamental biological process that is paramount to many other biological processes, such as signal transduction, metabolic pathways, enzyme construction, cell secretion, and gene expression. Accurate prediction of protein‐ligand binding affinities is vital to rational drug design and the understanding of protein‐ligand binding and binding induced function. Existing binding affinity prediction methods are inundated with geometric detail and involve excessively high dimensions, which undermines their predictive power for massive binding data. Topology provides the ultimate level of abstraction and thus incurs too much reduction in geometric information. Persistent homology embeds geometric information into topological invariants and bridges the gap between complex geometry and abstract topology. However, it oversimplifies biological information. This work introduces element specific persistent homology (ESPH) or multicomponent persistent homology to retain crucial biological information during topological simplification. The combination of ESPH and machine learning gives rise to a powerful paradigm for macromolecular analysis. Tests on 2 large data sets indicate that the proposed topology‐based machine‐learning paradigm outperforms other existing methods in protein‐ligand binding affinity predictions. ESPH reveals protein‐ligand binding mechanism that can not be attained from other conventional techniques. The present approach reveals that protein‐ligand hydrophobic interactions are extended to 40Å  away from the binding site, which has a significant ramification to drug and protein design.
Stochastic Optical Reconstruction Microscopy (STORM)
Authors: Xu Jianquan , Ma Hongqiang , Liu Yang
Published: July 2017

Super‐resolution (SR) fluorescence microscopy, a class of optical microscopy techniques at a spatial resolution below the diffraction limit, has revolutionized the way we study biology, as recognized by the Nobel Prize in Chemistry in 2014. Stochastic optical reconstruction microscopy (STORM), a widely used SR technique, is based on the principle of single molecule localization. STORM routinely achieves a spatial resolution of 20 to 30 nm, a ten‐fold improvement compared to conventional optical microscopy. Among all SR techniques, STORM offers a high spatial resolution with simple optical instrumentation and standard organic fluorescent dyes, but it is also prone to image artifacts and degraded image resolution due to improper sample preparation or imaging conditions. It requires careful optimization of all three aspects—sample preparation, image acquisition, and image reconstruction—to ensure a high‐quality STORM image, which will be extensively discussed in this unit. © 2017 by John Wiley & Sons, Inc.
Cannabinoid‐Induced Tetrad in Mice
Authors: Metna‐Laurent Mathilde , Mondésir Miguel , Grel Agnès , Vallée Monique , Piazza Pier‐Vincenzo
Published: July 2017

Cannabinoid‐induced tetrad is a preclinical model commonly used to evaluate if a pharmacological compound is an agonist of the central type‐1 cannabinoid (CB1) receptor in rodents. The tetrad is characterized by hypolocomotion, hypothermia, catalepsy, and analgesia, four phenotypes that are induced by acute administration of CB1 agonists exemplified by the prototypic cannabinoid delta‐9‐tetrahydrocannabinol (THC). This unit describes a standard protocol in mice to induce tetrad phenotypes with THC as reference cannabinoid. We provide typical results obtained with this procedure showing a dose effect of THC in different mouse strains. The effect of the CB1 antagonist rimonabant is also shown. This tetrad protocol is well adapted to reveal new compounds acting on CB1 receptors in vivo. © 2017 by John Wiley & Sons, Inc.
Multisite Electrophysiology Recordings in Mice to Study Cross‐Regional Communication During Anxiety
Authors: Harris Alexander Z. , Golder Danielle , Likhtik Ekaterina
Published: July 2017

Recording neural activity in awake, freely moving mice is a powerful and flexible technique for dissecting the neural circuit mechanisms underlying pathological behavior. This unit describes protocols for designing a drive and recording single neurons and local field potentials during anxiety‐related paradigms. We also include protocols for integrating pharmacologic and optogenetic means for circuit manipulations, which, when combined with electrophysiological recordings, demonstrate input‐specific and cell‐specific contributions to circuit‐wide activity. We discuss the planning, execution, and troubleshooting of physiology experiments during anxiety‐like behavior. © 2017 by John Wiley & Sons, Inc.
High‐throughput analysis of TUNEL‐stained sperm using image cytometry
Authors: Arifulin E. A. , Bragina E. E. , Kurilo L. F. , Sheval E. V.
Published: July 2017

Sperm DNA integrity is an essential factor for successful fertilization and proper pregnancy progression. The terminal deoxynucleotidyl transferase dUTP nick end‐labeling (TUNEL) assay is commonly used for the estimation of the DNA fragmentation index. Analysis of TUNEL‐stained sperm is often performed by flow cytometry, an approach that allows high‐throughput analysis but in which any morphological information is lost. In this study, results of an automated image cytometry estimation of TUNEL‐stained sperms were presented. The results of visual counting and automatic analysis were closely correlated, indicating that image cytometry is suitable for such analysis and may be applied in a clinical setting. © 2017 International Society for Advancement of Cytometry
Human urinary metabolic patterns of the designer benzodiazepines flubromazolam and pyrazolam studied by liquid chromatography–high resolution mass spectrometry
Authors: Pettersson Bergstrand Madeleine , Meyer Markus R. , Beck Olof , Helander Anders
Published: July 2017

Over the past ~8 years, hundreds of unregulated new psychoactive substances (NPS) of various chemical categories have been introduced as recreational drugs through mainly open online trade. This study was performed to further investigate the human metabolic pattern of the NPS, or designer benzodiazepines flubromazolam and pyrazolam, and to propose analytical targets for urine drug testing of these substances. The urine samples originated from patient samples confirmed by liquid chromatography–high‐resolution tandem mass spectrometry (LC–HRMS/MS) analysis to contain flubromazolam or pyrazolam. The LC–HRMS/MS system consisted of a YMC‐UltraHT Hydrosphere C18 column (YMC, Dinslaken, Germany) coupled to a Thermo Scientific (Waltham, MA, USA) Q Exactive Orbitrap MS operating in positive electrospray mode. The samples were analyzed both with and without enzymatic hydrolysis using β‐glucuronidase. Besides the parent compounds, the main urinary excretion products were parent glucuronides, mono‐hydroxy metabolites, and mono‐hydroxy glucuronides. In samples prepared without hydrolysis, the most common flubromazolam metabolites were 1 of the mono‐hydroxy glucuronides and 1 of the parent glucuronides. For pyrazolam, a parent glucuronide was the most common metabolite. These 3 metabolites were detected in all samples and were considered the primary targets for urine drug testing and confirmation of intake. After enzymatic hydrolysis of the urine samples, a 2–19‐fold increase in the concentration of flubromazolam was found, highlighting the value of hydrolysis for this analyte. With hydrolysis, the flubromazolam hydroxy metabolites should be used as target metabolites.
Assessing the relationships between phylogenetic and functional singularities in sharks (Chondrichthyes)
Authors: Cachera Marie , Le Loc'h François
Published: July 2017

The relationships between diversity and ecosystem functioning have become a major focus of science. A crucial issue is to estimate functional diversity, as it is intended to impact ecosystem dynamics and stability. However, depending on the ecosystem, it may be challenging or even impossible to directly measure ecological functions and thus functional diversity. Phylogenetic diversity was recently under consideration as a proxy for functional diversity. Phylogenetic diversity is indeed supposed to match functional diversity if functions are conservative traits along evolution. However, in case of adaptive radiation and/or evolutive convergence, a mismatch may appear between species phylogenetic and functional singularities. Using highly threatened taxa, sharks, this study aimed to explore the relationships between phylogenetic and functional diversities and singularities. Different statistical computations were used in order to test both methodological issue (phylogenetic reconstruction) and overall a theoretical questioning: the predictive power of phylogeny for function diversity. Despite these several methodological approaches, a mismatch between phylogeny and function was highlighted. This mismatch revealed that (i) functions are apparently nonconservative in shark species, and (ii) phylogenetic singularity is not a proxy for functional singularity. Functions appeared to be not conservative along the evolution of sharks, raising the conservational challenge to identify and protect both phylogenetic and functional singular species. Facing the current rate of species loss, it is indeed of major importance to target phylogenetically singular species to protect genetic diversity and also functionally singular species in order to maintain particular functions within ecosystem.
Ionic Liquids: Recent Advances and Applications in Boron Chemistry
Authors: Zhu Yinghuai , Hosmane Narayan S.
Published: July 2017

Ionic liquids (ILs) are a type of low‐melting salts, which are generally nonvolatile, have low vapor pressure, very high boiling point, and excellent thermal stability. In addition, they have unique physical and chemical properties including highly variable viscosity, in contrast to common inorganic salts and organic liquids. Consequently, they have found potential applications in the broad area of green chemistry and as electrolytes. Recently, advances have been made in the use of ILs in boron chemistry, and as such various boron‐containing ILs have been reported and their applications in classic organic synthesis have been explored. Interestingly, many boron‐related reactions, such as hydroboration, were explored in ionic liquid media. This microreview mainly focuses on the progress of boron‐containing ILs and reactions involving boron compounds in ILs.
High‐Temperature Latent‐Heat Energy Storage Concept Based on Thermoelectronic Energy Conversion
Authors: Voesch Wolfgang , Wanke Robin , Rastegar Iman , Braun Wolfgang , Kribus Abraham , Mannhart Jochen
Published: July 2017

Energy storage is particularly essential for renewable energy sources. Here we present the concept of high‐temperature latent‐heat storage coupled with thermoelectronic energy conversion. We analyze this concept and its potential for storing large quantities of energy for several days. We investigate the efficiency of electricity generation and storage by using a single thermoelectronic energy converter and a bottoming cycle with a steam turbine. For storage temperatures above 1400 °C and large amounts of stored energy (>100 MWh), the maximum energy conversion efficiencies of such systems are high. Thus the proposed systems are attractive storage solutions for excessive heat storage and heat‐on‐demand delivery of large‐scale thermal solar power plants.
Leader‐Member Exchange Relationships and Follower Outcomes: The Mediating Role of Perceiving Goals as Invariable
Authors: Kuvaas Bård , Buch Robert
Published: July 2017

In the present study, we investigated whether perceiving goals as invariable mediated the link between leader‐member exchange (LMX) relationships and role overload, turnover intention, and work performance. Perceiving goals as invariable refers to the extent to which followers believe that the goals in a performance management system represent the absolute standards that they must meet without exception, even if they think other factors are more important (e.g., situational factors or factors that are not associated with goals). In Study 1, perceiving goals as invariable mediated the relationships between LMX and role overload and turnover intention, such that a high‐quality LMX relationship was negatively associated with perceiving goals as invariable, which in turn was positively related to both role overload and turnover intention. In Study 2, social LMX was negatively associated and economic LMX was positively associated with perceiving goals as invariable, which in turn was negatively related to work performance. Furthermore, perceiving goals as invariable mediated the relationship between social LMX relationships and work performance. Theoretical and practical implications and directions for future research are discussed. © 2017 Wiley Periodicals, Inc.
Groundwater recharge estimation in arid hardrock‐alluvium aquifers using combined water‐table fluctuation and groundwater balance approaches
Authors: Izady Azizallah , Abdalla Osman A.E. , Joodavi Ata , Karimi Akbar , Chen Mingjie , Tompson Andrew
Published: July 2017

This paper proposes an approach to estimate groundwater recharge using an optimization‐based water‐table fluctuation method combined with a groundwater balance model in an arid hardrock‐alluvium region, located at the Oman–United Arab Emirates border. We introduce an “effective hardrock thickness” term to identify the percentage of the considered hardrock thickness in which effective groundwater flow takes place. The proposed method is based upon a Thiessen polygon zoning approach. The method includes subpolygons to represent specific geologic units and to enhance the confidence of the estimated groundwater recharge. Two linear and 1 nonlinear submodels were developed to evaluate the model components for the calibration (October 1996 to September 2008) and validation (October 2008 to September 2013) periods. Long‐term annual groundwater recharge from rainfall and return flow over the model domain are estimated as 24.62 and 5.71 Mm3, respectively, while the effective groundwater flow circulation is found to occur in the upper 7% of the known hardrock thickness (42 m), confirming conclusions of previous field studies. Considering a total difference in groundwater levels between eastern and western points of the study area of the order of 220 m and a 12‐year monthly calibration period, a weighted root mean squared error in predicted groundwater elevation of 2.75 m is considered quite reasonable for the study area characterized by remarkable geological and hydrogeological diversity. The proposed approach provides an efficient and robust method to estimate groundwater recharge in regions with a complex geological setting in which interaction between fractured and porous media cannot be easily assessed.
The effect of prophylactic antibiotic treatment for manual removal of the placenta on frequency of postpartum endometritis
Authors: Safrai Myriam , Kabiri Doron , Haj‐Yahya Rani , Reuveni‐Salzman Adi , Lipschuetz Michal , Ezra Yossef
Published: July 2017

Objective

To determine whether prophylactic antibiotics reduce the frequency of postpartum endometritis after manual removal of the placenta.

Methods

A retrospective cohort study was conducted using data for all women who underwent manual removal of the placenta after vaginal delivery at a tertiary medical center in Jerusalem, Israel, between January 1, 2010, and December 31, 2015. The study group comprised women who had not received prophylactic antibiotic treatment, whereas the control group comprised women who had received prophylactic antibiotic treatment. The primary outcome measure was the frequency of postpartum endometritis.

Results

Of the 407 women included in the analysis, 7 (1.7%) developed postpartum endometritis. Six of the women with postpartum endometritis had received prophylactic treatment with antibiotics, whereas one woman had not (odds ratio 0.555, 95% confidence interval 0.065–4.630).

Conclusion

Prophylactic antibiotics before manual removal of the placenta did not decrease the odds of postpartum endometritis.
Reach‐scale river metabolism across contrasting sub‐catchment geologies: Effect of light and hydrology
Authors: Rovelli Lorenzo , Attard Karl M. , Binley Andrew , Heppell Catherine M. , Stahl Henrik , Trimmer Mark , Glud Ronnie N.
Published: July 2017

We investigated the seasonal dynamics of in‐stream metabolism at the reach scale (∼ 150 m) of headwaters across contrasting geological sub‐catchments: clay, Greensand, and Chalk of the upper River Avon (UK). Benthic metabolic activity was quantified by aquatic eddy co‐variance while water column activity was assessed by bottle incubations. Seasonal dynamics across reaches were specific for the three types of geologies. During the spring, all reaches were net autotrophic, with rates of up to 290 mmol C m−2 d−1 in the clay reach. During the remaining seasons, the clay and Greensand reaches were net heterotrophic, with peak oxygen consumption of 206 mmol m−2 d−1 during the autumn, while the Chalk reach was net heterotrophic only in winter. Overall, the water column alone still contributed to ∼ 25% of the annual respiration and primary production in all reaches. Net ecosystem metabolism (NEM) across seasons and reaches followed a general linear relationship with increasing stream light availability. Sub‐catchment specific NEM proved to be linearly related to the local hydrological connectivity, quantified as the ratio between base flow and stream discharge, and expressed on a timescale of 9 d on average. This timescale apparently represents the average period of hydrological imprint for carbon turnover within the reaches. Combining a general light response and sub‐catchment specific base flow ratio provided a robust functional relationship for predicting NEM at the reach scale. The novel approach proposed in this study can help facilitate spatial and temporal upscaling of riverine metabolism that may be applicable to a broader spectrum of catchments.
Spectroscopic characterization of oral epithelial dysplasia and squamous cell carcinoma using multiphoton autofluorescence micro‐spectroscopy
Authors: Pal Rahul , Edward Kert , Ma Liang , Qiu Suimin , Vargas Gracie
Published: July 2017

Objective

Multiphoton autofluorescence microscopy (MPAM) has shown potential in identifying features that are directly related to tissue microstructural and biochemical changes throughout epithelial neoplasia. In this study, we evaluate the autofluorescence spectral characteristics of neoplastic epithelium in dysplasia and oral squamous cell carcinoma (OSCC) using multiphoton autofluorescence spectroscopy (MPAS) in an in vivo hamster model of oral neoplasia in order to identify unique signatures that could be used to delineate normal oral mucosa from neoplasia.

Materials/Methods

A 9,10‐dimethyl‐1,2‐benzanthracene (DMBA) hamster model of oral precancer and OSCC was used for in vivo MPAM and MPAS. Multiphoton Imaging and spectroscopy were performed with 780 nm excitation while a bandpass emission 450–650 nm was used for MPAM. Autofluorescence spectra was collected in the spectral window of 400–650 nm.

Results

MPAS with fluorescence excitation at 780 nm revealed an overall red shift of a primary blue‐green peak (480–520 nm) that is attributed to NADH and FAD. In the case of oral squamous cell carcinoma (OSCC) and some high‐grade dysplasia an additional prominent peak at 635 nm, attributed to PpIX was observed. The fluorescence intensity at 635 nm and an intensity ratio of the primary blue‐green peak versus 635 nm peak, showed statistically significant difference between control and neoplastic tissue.

Discussion

Neoplastic transformation in the epithelium is known to alter the intracellular homeostasis of important tissue metabolites such as NADH, FAD, and PpIX, which was observed by MPAS in their native environment. A combination of deep tissue microscopy owing to higher penetration depth of multiphoton excitation and depth resolved spectroscopy could prove to be invaluable in identification of cytologic as well as biomolecular spectral characteristic of oral epithelial neoplasia. Lasers Surg. Med. 49:866–873, 2017. © 2017 Wiley Periodicals, Inc.
Gut microbiome diversity influenced more by the Westernized dietary regime than the body mass index as assessed using effect size statistic
Authors: Davis Shannon C. , Yadav Jagjit S. , Barrow Stephanie D. , Robertson Boakai K.
Published: July 2017

Human gut microbiome dysbiosis has been associated with the onset of metabolic diseases and disorders. However, the critical factors leading to dysbiosis are poorly understood. In this study, we provide increasing evidence of the association of diet type and body mass index (BMI) and how they relatively influence the taxonomic structure of the gut microbiota with respect to the causation of gut microbiome dysbiosis. The study included randomly selected Alabama residents (n = 81), including females (n = 45) and males (n = 36). The demographics data included age (33 ± 13.3 years), height (1.7 ± 0.11 meters), and weight (82.3 ± 20.6 kg). The mean BMI was 28.3 ± 7.01, equating to an overweight BMI category. A cross‐sectional case–control design encompassing the newly recognized effect size approach to bioinformatics analysis was used to analyze data from donated stool samples and accompanying nutrition surveys. We investigated the microbiome variations in the Bacteroidetes‐Firmicutes ratio relative to BMI, food categories, and dietary groups at stratified abundance percentages of <20%, 20%, 30%, 40%, 50%, 60%, and ≥70%. We further investigated variation in the Firmicutes and Bacteroidetes phyla composition (at the genus and species level) in relation to BMI, food categories, and dietary groups (Westernized or healthy). The Pearson Correlation coefficient as an indication of effect size across Alpha diversity indices was used to test the hypothesis (H0): increased BMI has greater effect on taxonomic diversity than Westernized diet type, (Ha): increased BMI does not have a greater effect on taxonomic diversity than Westernized diet type. In conclusion, we rejected the (H0) as our results demonstrated that Westernized diet type had an effect size of 0.22 posing a greater impact upon the gut microbiota diversity than an increased BMI with an effect size of 0.16. This implied Westernized diet as a critical factor in causing dysbiosis as compared to an overweight or obese body mass index.
Microbial community analysis of the hypersaline water of the Dead Sea using high‐throughput amplicon sequencing
Authors: Jacob Jacob H. , Hussein Emad I. , Shakhatreh Muhamad Ali K. , Cornelison Christopher T.
Published: July 2017

Amplicon sequencing using next‐generation technology (bTEFAP®) has been utilized in describing the diversity of Dead Sea microbiota. The investigated area is a well‐known salt lake in the western part of Jordan found in the lowest geographical location in the world (more than 420 m below sea level) and characterized by extreme salinity (approximately, 34%) in addition to other extreme conditions (low pH, unique ionic composition different from sea water). DNA was extracted from Dead Sea water. A total of 314,310 small subunit RNA (SSU rRNA) sequences were parsed, and 288,452 sequences were then clustered. For alpha diversity analysis, sample was rarefied to 3,000 sequences. The Shannon–Wiener index curve plot reached a plateau at approximately 3,000 sequences indicating that sequencing depth was sufficient to capture the full scope of microbial diversity. Archaea was found to be dominating the sequences (52%), whereas Bacteria constitute 45% of the sequences. Altogether, prokaryotic sequences (which constitute 97% of all sequences) were found to predominate. The findings expand on previous studies by using high‐throughput amplicon sequencing to describe the microbial community in an environment which in recent years has been shown to hide some interesting diversity.
Partially hydrolyzed whey proteins prevent clinical symptoms in a cow's milk allergy mouse model and enhance regulatory T and B cell frequencies
Authors: Kiewiet Mensiena B. Gea , van Esch Betty C. A. M. , Garssen Johan , Faas Marijke M. , de Vos Paul
Published: July 2017

Scope

Partially hydrolyzed cow's milk proteins are used to prevent cow's milk allergy in children. Here we studied the immunomodulatory mechanisms of partial cow's milk hydrolysates in vivo.

Methods and results

Mice were sensitized with whey or partially hydrolyzed whey using cholera toxin. Whey‐specific IgE levels were measured to determine sensitization and immune cell populations from spleen, mesenteric lymph nodes and Peyer's patches after oral whey administration were measured by flowcytometry. Whey‐specific IgE and IgG1 levels in partial whey hydrolysate sensitized animals were enhanced, but challenge did not induce clinical symptoms. This immunomodulatory effect of partial whey hydrolysate was associated with increased regulatory B and T cells in the spleen, together with a prevention of IgM‐IgA class switching in the mesenteric lymph nodes and an increased Th1 and activated Th17 in the Peyer's patches.

Conclusion

Partial hydrolysate sensitization did not induce whey‐induced clinical symptoms, even though sensitization was established. Increased regulatory cell populations in the systemic immune system and a prevention of increased total Th1 and activated Th17 in the intestinal immune organs could contribute to the suppression of allergic symptoms. This knowledge is important for a better understanding of the beneficial effects of hydrolysates.
The antecedents and consequences of charitable donation heterogeneity on social media
Authors: Zhong Zhi‐Jin , Lin Shujin
Published: July 2017

This study claims that donating is a rational behavior that balances altruism and self‐interest; therefore, the frequency and magnitude of donating are picked as crucial criteria to classify different crowdfunders because both of them reflect the rationality of donating. This study identifies 6 clusters of crowdfunders and explores the antecedent variables of the typology based on self‐system theory, as well as reveals the social influence of different types of crowdfunders. Data of the crowdfunders (n = 13,868) were collected from “Micro Philanthropy,” a popular SNS crowdfunding platform for charity in China. Social Network Service (SNS) profile information such as network features, social interaction features, and the identity of users was found to be significantly related to the typology. Active donors and bounteous donors are more influential than other donors in absorbing the attention of SNS users and attracting new donors.