bluuebunny/crossref_metadata_2025 huggingface dataset:
Multiple imputation in the presence of an incomplete binary variable created from an underlying continuous variable
Authors: Grobler Anneke C. , Lee Katherine
Published: July 2019

Multiple imputation (MI) is used to handle missing at random (MAR) data. Despite warnings from statisticians, continuous variables are often recoded into binary variables. With MI it is important that the imputation and analysis models are compatible; variables should be imputed in the same form they appear in the analysis model. With an encoded binary variable more accurate imputations may be obtained by imputing the underlying continuous variable. We conducted a simulation study to explore how best to impute a binary variable that was created from an underlying continuous variable. We generated a completely observed continuous outcome associated with an incomplete binary covariate that is a categorized version of an underlying continuous covariate, and an auxiliary variable associated with the underlying continuous covariate. We simulated data with several sample sizes, and set 25% and 50% of data in the covariate to MAR dependent on the outcome and the auxiliary variable. We compared the performance of five different imputation methods: (a) Imputation of the binary variable using logistic regression; (b) imputation of the continuous variable using linear regression, then categorizing into the binary variable; (c, d) imputation of both the continuous and binary variables using fully conditional specification (FCS) and multivariate normal imputation; (e) substantive‐model compatible (SMC) FCS. Bias and standard errors were large when the continuous variable only was imputed. The other methods performed adequately. Imputation of both the binary and continuous variables using FCS often encountered mathematical difficulties. We recommend the SMC‐FCS method as it performed best in our simulation studies.
Hydroxyl‐ and Halogen‐containing Chalcones for the Inhibition of LPS‐stimulated ROS Production in RAW 264.7 Macrophages: Design, Synthesis and Structure–Activity Relationship Study
Authors: Shrestha Aarajana , Shrestha Aastha , Park Pil‐Hoon , Lee Eung‐Seok
Published: July 2019

Oxidative stress due to overproduction of reactive oxygen species (ROS) plays a major role in inflammation, cancer, and neurodegenerative disorders. In this study, 60 chalcone derivatives with fluorine (F), trifluoromethyl (CF3), trifluoromethoxy (OCF3), chlorine (Cl), and bromine (Br) in ring A and with or without hydroxy (OH) in ring B were designed, synthesized, and screened for inhibitory activity against lipopolysaccharide (LPS)‐stimulated ROS production in RAW 264.7 macrophages. Structure–activity relationship study revealed the importance of a hydroxyl moiety in ring B for enhancing inhibitory activity of ROS production. Furthermore, a hydroxyl group at the ortho‐position is more essential for inhibition of ROS production followed by meta‐ and para‐positions. Among all, compound 27 that contains para‐chlorine moiety in ring A and ortho‐hydroxy in ring B displayed the strongest inhibitory activity (IC50 = 3.42 μM) against LPS‐stimulated ROS production in RAW264.7 macrophages.
Can adopting ambitious environmental sustainability initiatives lead to business failures? An analytical framework
Authors: Amankwah‐Amoah Joseph , Syllias Johnny
Published: July 2019

Drawing on environmental sustainability orientation and business failure literature, we examined a thought‐provoking question: “Can adopting ambitious environmental sustainability initiatives lead to business failures and under what conditions is this more likely?” To address this question, we developed an analytical framework that provides new insights into how voluntary environmental initiatives affect the business environment and firm competitiveness. This paper also yields new insights on the features that emerge at adopting environmental initiatives–business failure nexus: from greening to growing, from greening to sustaining, from greening to constraining, and from greening to collapsing. Accordingly, the study accounts for the conditions under sustainability initiatives, and a variety of complex contextual factors are likely to culminate in closures of small and medium‐sized enterprises (SMEs). Although many top executives, entrepreneurs, and managers view implementation of environmental initiatives as tantamount to superior firm performance, the paper highlighted the effects of resource constraints and vulnerabilities of SMEs and new firms during the early stage of development, and therefore, pursuing aggressive green initiatives could minimize their life chances. Implications for scholars and practising managers are discussed.
The lasting effect of a disposable society: Missing the opportunity to repurpose … our team
Authors: Skipworth Stan
Published: July 2019

Ours is a society in which much of what we produce, seek, use, and acquire is really not intended to be permanent — and certainly not designed and constructed to withstand the tests of time.
Layer‐Wise Titania Growth Within Dimeric Organic Functional Group Viologen Periodic Mesoporous Organosilica as Efficient Photocatalyst for Oxidative Formic Acid Decomposition
Authors: Ahadi Arefeh , Alamgholiloo Hassan , Rostamnia Sadegh , Liu Xiao , Shokouhimehr Mohammadreza , Alonso Diego A. , Luque Rafael
Published: July 2019

bridge dimeric organic functional group viologen PMOs synthesized via layer by layer growth on titania (TiO2) has been unprecedently prepared as stable periodic mesoporous organosilica using surfactant under mild acidic conditions. The layer by layer TiO2 incorporation within the prepared organic functional group viologen‐PMO could successfully develop a new type of hybrid photo‐oxidation system for the mineralization of formic acid under sunlight irradiation conditions.
Operando XAS/XRD and Raman Spectroscopic Study of Structural Changes of the Iron Molybdate Catalyst during Selective Oxidation of Methanol
Authors: Gaur Abhijeet , Schumann Max , Raun Kristian Viegaard , Stehle Matthias , Beato Pablo , Jensen Anker Degn , Grunwaldt Jan‐Dierk , Høj Martin
Published: July 2019

The structural changes of an iron molybdate/molybdenum oxide (Mo/Fe=2.0) catalyst for the selective oxidation of methanol to formaldehyde were studied using combined operando X‐ray absorption spectroscopy (XAS) and X‐ray diffraction (XRD) as well as operando Raman spectroscopy. Under operating conditions, the Mo K‐edge XANES spectra showed a transition from a mixture of α‐MoO3 and Fe2(MoO4)3 towards only Fe2(MoO4)3. XRD and Raman spectroscopy also showed disappearance of the α‐MoO3 phase with time on stream. The results evidenced that the α‐MoO3 component evaporated completely, while the Fe2(MoO4)3 component remained stable. This was linked to a decrease in catalytic activity. Further studies unraveled that the rate of α‐MoO3 evaporation increased with increasing MeOH concentration, decreasing O2 concentration and increasing temperature. The simultaneous measurements of catalytic activity and spectroscopy allowed to derive a structure‐activity relationship showing that α‐MoO3 evaporation needs to be prevented to optimize MoO3‐based catalysts for selective oxidation of methanol.
Effect of Empty Fruit Bunch in Calcium Oxide for Cyclic CO2 Capture
Authors: Mohamed Mustakimah , Yusup Suzana , Loy Adrian Chun Minh
Published: July 2019

Empty fruit bunch (EFB) is utilized to increase the CO2 capture capacity and cyclic stability of calcium oxide (CaO) prepared from cockle shells (CS). The cyclic reaction of calcination and carbonation reaction was performed in pure N2 environment and in the presence of CO2 in N2, respectively. The EFB in CS modified the pore structural properties, morphology, and composition of the pristine CaO. Higher EFB loading in CS reduced the CaO composition but improved the CO2 capture capacity and cyclic stability during cyclic CO2 capture.
Modeling of Slug Velocity and Pressure Drop in Gas‐Liquid‐Liquid Slug Flow
Authors: Hellmann David , Agar David W.
Published: July 2019

Gas‐liquid‐liquid slug flow in a capillary reactor is a promising new concept that allows one to incorporate gas‐liquid reaction, liquid‐liquid extraction, and facile catalyst separation in a single unit. In order to assess the performance of a gas‐liquid‐liquid slug flow reactor, it is necessary to predict the slug velocity and pressure drop to ascertain residence times and reaction rates. New empirical models for velocity and pressure drop were developed based on existing models for two‐phase gas‐liquid and liquid‐liquid slug flows, and these were validated experimentally.
Exploring the Steady Operation of a Continuous Pilot Plant for the Di‐Nitration Reaction
Authors: Sharma Mrityunjay , Acharya Roopashree B. , Kulkarni Amol A.
Published: July 2019

Continuous‐flow synthesis of the selective herbicide pendimethalin was demonstrated in both a laboratory‐scale and a pilot‐scale reactor using only concentrated nitric acid as nitrating agent. The di‐nitration reaction follows second‐order kinetics where the reaction is first order with respect to both reactant and nitric acid. The pinched‐tube reactor was chosen for pilot‐scale reactor fabrication due to its excellent mixing and mass transfer characteristics compared to a straight‐tube reactor. The estimated mass transfer coefficient showed similar nature in the laboratory‐scale and the pilot‐scale pinched‐tube reactor, ensuring similar performance at the pilot scale. Di‐nitration in continuous flow, inline quenching, extraction, and phase separation are some of the salient features of the developed pilot plant. The importance of the start‐up time for achieving steady state in the flow system at the large scale is highlighted.
Light‐Induced Dimerization Approaches to Control Cellular Processes
Authors: Klewer Laura , Wu Yao‐Wen
Published: July 2019

Light‐inducible approaches provide a means to control biological systems with spatial and temporal resolution that is unmatched by traditional genetic perturbations. Recent developments of optogenetic and chemo‐optogenetic systems for induced proximity in cells facilitate rapid and reversible manipulation of highly dynamic cellular processes and have become valuable tools in diverse biological applications. New expansions of the toolbox facilitate control of signal transduction, genome editing, “painting” patterns of active molecules onto cellular membranes, and light‐induced cell cycle control. A combination of light‐ and chemically induced dimerization approaches have also seen interesting progress. Herein, an overview of optogenetic systems and emerging chemo‐optogenetic systems is provided, and recent applications in tackling complex biological problems are discussed.
Computational Investigations of Heme Carbenes and Heme Carbene Transfer Reactions
Authors: Zhang Yong
Published: July 2019

Engineered heme proteins and biomimetic iron porphyrins have been found to possess excellent catalytic properties for numerous carbene transfer reactions. Computational studies, including the use of DFT calculations and molecular dynamics simulations, have been employed to help understand some important mechanistic aspects of heme carbene transfer reactions. This review summarizes advances in the computational results published in the following two areas: 1) the electronic and geometric structures of heme carbenes; spectroscopic properties; and effects of carbene substituent, porphyrin substituent, axial ligand, and spin state on heme carbene formation; and 2) mechanisms of heme carbenoid X−H (X=C, Si, B, N, S) insertions and cyclopropanation, including effects of heme carbene structural components and protein environment, as well as oxidation state and spin state. A brief outlook of future development is also addressed.
Solid–Gas Phase Synthesis of Coordination Networks by Using Redox‐Active Ligands and Elucidation of Their Oxidation Reaction
Authors: Den Taizen , Usov Pavel M. , Kim Jaejun , Hashizume Daisuke , Ohtsu Hiroyoshi , Kawano Masaki
Published: July 2019

Formation of coordination networks is a complex process affected by a multitude of factors. Many synthetic strategies have been developed that attempt to control these factors and direct the structure of the final product. Coordination bond formation and structural assembly processes, however, typically take place either in the solution or solid states. In comparison, gas‐phase network synthesis remains largely unexplored. Herein, two new two‐dimensional coordination networks are obtained from the solid–gas phase reaction between ZnX2 (X=I, Br) and the redox‐active 2,5,8‐tri(4‐pyridyl)1,3‐diazaphenalene (HTPDAP) ligand. Their structures were solved by ab initio powder X‐ray diffraction analysis and feature a novel Zn halide trimeric cluster. This strategy is contrasted with a conventional solvothermal synthesis, which led to a one‐dimensional coordination polymer instead. The intrinsic electroactive properties of these materials were probed by solid‐state cyclic voltammetry measurements, which revealed the presence of HTPDAP and halide‐based processes. Chemical oxidation of the two‐dimensional networks by using NOPF6 agent, unexpectedly, led to the formation of a nitrated analog of HTPDAP, the PF6− salt of diprotonated 4,6,7,9‐tetranitro‐2,5,8‐tris(4‐pyridyl)diazaphenalene cation (denoted N‐TPDAP), which was isolated and characterized. These results provide deeper insights into the oxidation process of HTPDAP‐containing networks and uncover unique redox‐induced chemical transformations.
Tuneable Redox Chemistry and Electrochromism of Persistent Symmetric and Asymmetric Azine Radical Cations
Authors: Werr Marco , Kaifer Elisabeth , Wadepohl Hubert , Himmel Hans‐Jörg
Published: July 2019

Molecular organic radicals have been intensively studied in the last decades, due to their interesting optical, magnetic and redox properties. Here we report the synthesis and characterisation of persistent organic radicals from one‐electron oxidation of redox‐active azines (RAAs), composed of two guanidinyl or related groups. By connecting two different groups together, asymmetric compounds result. In this way a series of compounds with varying redox potential is obtained that could be oxidised reversibly to the mono‐ and the dicationic charge states. The accessible redox states were fully determined by chemical redox reactions. The standard Gibbs free energy change for disproportionation of the radical monocation into the dication and the neutral molecule in solution, estimated from cyclovoltammetric measurements, varies between 43 and 71 kJ mol−1. While the neutral RAAs absorb predominately UV light, the radical monocations display strong absorptions covering almost the entire visible region and extending for some compounds into the NIR region. A detailed analysis of this highly reversible electrochromism is presented, and the fast switching characteristics are demonstrated in an electrochromic test device.
Persistent Digermenes with Acyl and α‐Chlorosilyl Functionalities
Authors: Klemmer Lukas , Kaiser Yvonne , Huch Volker , Zimmer Michael , Scheschkewitz David
Published: July 2019

We report the preparation of α‐chlorosilyl‐ and acyl‐substituted digermenes. Unlike the corresponding transient disilenes, these species with a Ge=Ge double bond show an unexpectedly low tendency for cyclization, but in turn are prone to thermal Ge=Ge bond cleavage. Triphenylsilyldigermene has been isolated as a crystalline model compound, and is the first fully characterized example of a neutral digermene with an A2GeGeAB substitution pattern. Spectroscopic and computational evidence prove the constitution of 1‐adamantoyldigermene as a first persistent species with a heavy double bond conjugated with a carbonyl moiety.
Reusable Pd@PEG Catalyst for Aerobic Dehydrogenative C−H/C−H Arylations of 1,2,3‐Triazoles
Authors: Ferlin Francesco , Yetra Santhivardhana Reddy , Warratz Svenja , Vaccaro Luigi , Ackermann Lutz
Published: July 2019

Dehydrogenative C−H arylations of 1,2,3‐triazoles were accomplished with the aid of a reusable palladium catalyst in PEG. The widely applicable oxidative palladium catalysis enabled the synthesis of fully decorated 1,2,3‐triazoles with a broad functional‐group tolerance and ample substrate scope. The sustainability of the aerobic C−H arylation was reflected by the use of PEG as green reaction medium and demonstrated by recycling studies of the catalyst and the reaction medium.
Flax nanofibrils production via supercritical carbon dioxide pre‐treatment and enzymatic hydrolysis
Authors: Nlandu Hervé , Belkacemi Khaled , Chorfa Nasima , Elkoun Said , Robert Mathieu , Hamoudi Safia
Published: July 2019

Flax fibres are an agro‐industrial waste available in large quantities in several countries around the world. This resource can be properly used. The goal of this work was to extract lignocellulosic nanosized flax fibres using an environmentally friendly process based on a combination of supercritical carbon dioxide (SC‐CO2) pre‐treatment and enzymatic hydrolysis. Raw flax fibres (RFF) were submitted to a SC‐CO2 pre‐treatment at various temperatures (ie, 70°C and 80°C) and pressures (ie, 20 and 37.7 MPa) for 60 minutes. The enzymatic hydrolysis was performed at 40°C for 24 hours in a pH 4.0 buffer. Cellulase, xylanase, pectinase, and viscozyme were used as hydrolytic enzymes. The as‐received raw flax fibres, SC‐CO2 pretreated flax fibres, and extracted lignocellulosic nanofibrils (LCNF) were characterized by Fourier transformed infrared spectroscopy (FTIR), x‐ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). It was shown that the effect of the SC‐CO2 pre‐treatment of flax fibres was two‐fold. It helped to disorganize biomass without changing its chemical composition and it increased access to enzymes to extract LCNF. The FTIR analysis showed no changes in the functional groups after SC‐CO2 pre‐treatment. The XRD characterization revealed that the crystallinity increased with the SC‐CO2 pre‐treatment and LCNF extraction. SEM images showed holes, cracks, and erosion on the surface of the SC‐CO2 pretreated flax fibres (SC‐CO2‐PFF). TEM evidenced the production of nano/micro‐sized fibril and fibril aggregates.
Pressure‐driven displacement flows of yield stress fluids: Viscosity ratio effects
Authors: Eslami Ali , Mollaabbasi Roozbeh , Roustaei Ali , Taghavi Seyed Mohammad
Published: July 2019

We numerically investigate pressure‐driven, density‐unstable displacement flows of two miscible fluids along a near‐horizontal 2D channel. The displacing fluid is a Newtonian fluid, slightly heavier than the displaced yield stress (Bingham) fluid. The imposed displacement flow is laminar. We show that the displacement flow is mainly governed by five dimensionless numbers, and their combinations, including the Reynolds number (Re), the Bingham number (Bn), the densimetric Froude number (Fr), the viscosity ratio (m), and the channel inclination angle (β). In this work, we primarily focus on the viscosity ratio and provide a detailed understanding of the flow behaviours via studying the effects of m on displacement flow patterns, regime classifications based on slump‐type and centre‐type displacement flow regimes, leading and trailing displacement front features, and finally the effects of m at different inclination angles.
Role of mineral flotation technology in improving bitumen extraction from mined Athabasca oil sands—II. Flotation hydrodynamics of water‐based oil sand extraction
Authors: Zhou Joe Z. , Li Haihong , Chow Ross S. , Liu Qingxia , Xu Zhenghe , Masliyah Jacob
Published: July 2019

Bitumen flotation hydrodynamics in water‐based oil sand extraction is critically reviewed by comparing aeration of oil sand slurries with mineral flotation. The role of the two‐stage particle‐bubble attachment model in flotation is emphasized as a means to accelerate bitumen flotation recovery. It involves the generation of micro/nanobubbles and their frosting on hydrophobic bitumen droplets, followed by their attachment to a flotation‐size bubble via its coalescence with the nanobubbles frosted on the bitumen. Nanobubble generation by hydrodynamic cavitation demonstrates that the size of nanobubbles can be reduced, and the number of nanobubbles increased by fast liquid flow, intensified agitation, high dissolved gas content and surfactant concentration. The mechanism of pre‐existing gas nuclei in enhancing nanobubble generation by cavitation is utilized to produce a large volume of stabilized nanobubbles for practical flotation, by continuously recirculating the stream through a gas saturation tank or a cavitation tube. The aeration of oil sand slurries in hydrotransport pipelines is analyzed based on its similarity to dissolved air flotation. Bitumen extraction recovery increased significantly with the presence of nanobubbles in the system. The role of improved flotation hydrodynamics in bitumen recovery is briefly discussed in terms of the Suncor operation using flotation columns to process oil sand middling streams. Future research should be directed at understanding bitumen flotation kinetics, optimizing size ranges of nanobubbles for maximized flotation recovery, minimizing wearing of cavitation tubes in industrial operations, and intensifying the role of in‐situ nanobubble nucleation on hydrophobic particles/bitumen droplets in flotation, especially for bitumen extraction from underperforming oil sands.
Hydrophilic Porous Poly(l‐Lactic Acid) Nanomembranes: Self‐Assembly, and Anti‐Biofouling and Anti‐Thrombosis Effects
Authors: Deng Xiulong , Zhang Mengbi , Tan Lishan , Zeng Tao , Lai Xuandi , Geng Xinran , Huang Caili , Li Aiqing , Pan Yanchao , Hu Jianqiang
Published: July 2019

Hydrophilic PEGylated porous self‐assembled nanomembranes (PSANMs) with average thickness and pore diameter of ca. 10 and 20–24 nm were successfully prepared by an emulsification‐induced programmable self‐assembly strategy. The hydrophilicity, anti‐biofouling, and anti‐thrombosis properties of PEGylated PSANMs were largely improved in comparison with the nonfunctionalized PSANMs, which could transform into hydrophilic (PEGylated PSANMs, minimum water contact angle: 38.8°) from hydrophobic units (PSANMs, maximum water contact angle: 137.5°) with increasing PEG density and length. The total protein adsorption of PEGylated PSANMs was about six times lower than that of the PSANMs, while the thrombosis of the PEGylated PSANMs (maximum R‐time: 5.37 min) was also greatly relieved in comparison with the PSANMs (minimum R‐time: 2.93 min). Such PEG‐modified PSANMs may have applications in drug delivery and tissue and organ repair in vivo.
Synthesis of Glutathione (GSH)‐Responsive Amphiphilic Duplexes and their Application in Gene Delivery
Authors: Li Yong‐Qiang , Sun Wan , Liu Xu‐Ying , Chen Li‐Qing , Huang Wei , Lu Zhong‐Lin , He Lan
Published: July 2019

Oligoamide molecular strands with hydrogen‐bonding sequences DADDAD and guanidine (O‐1) or 1,5,9‐triazacyclododecane ([12]aneN3; O‐2) side chains and oligoamides with hydrogen‐bonding sequences ADAADA and octyl moieties (O‐3), were synthesized. Two duplexes (D‐1 and D‐2) were prepared by conjugating the hydrophilic O‐1 or O‐2 and hydrophobic O‐3 through sequence‐specific hydrogen‐bond association and cross‐linked disulfide bonds. Electrophoresis measurements indicated that O‐1, O‐2, D‐1, and D‐2 were able to completely retard the DNA mobiliy at concentrations of 30, 30, 10, and 20 μM, respectively. Reversible DNA release in O‐1 and O‐2 complexes can be achieved in the presence of heparin sodium, whereas the presence of GSH greatly improved DNA release in D‐1 and D‐2 complexes. The particles formed were in a size range of 50–170 nm with positively charged surfaces. D‐1 and D‐2 transfected pEGFP−N1 into HeLa cells successfully.
Realization of High Capacity and Cycling Stability in Pb‐Free A2CuBr4 (A=CH3NH3/Cs, 2 D/3 D) Perovskite‐Based Li‐Ion Battery Anodes
Authors: Pandey Padmini , Sharma Neha , Panchal Reena A. , Gosavi S. W. , Ogale Satishchandra
Published: July 2019

Lead‐free hybrid and inorganic perovskites (A2CuBr4; A=CH3NH3 or Cs, 2 D or3 D) are synthesized by a room‐temperature solid‐state reaction route and examined as anode materials in Li‐ion batteries. A remarkably high reversible capacity of 630 mAh g−1 is realized in the 2 D hybrid perovskite at 100 mA g−1 at the end of 140 cycles. A full cell with this anode is also tested and shows impressive cycling stability. A good reversible capacity of 420 mAh g−1 with excellent stability tested up to 1400 cycles is also obtained for the 3 D perovskites. Pb‐free hybrid/inorganic halide perovskites can thus be used as viable anode materials for battery applications.
Effects of land‐use change on community diversity and composition are highly variable among functional groups
Authors: Graham Stuart I. , Kinnaird Margaret F. , O'Brien Timothy G. , Vågen Tor‐G , Winowiecki Leigh A. , Young Truman P. , Young Hillary S.
Published: July 2019

In order to understand how the effects of land‐use change vary among taxa and environmental contexts, we investigate how three types of land‐use change have influenced phylogenetic diversity (PD) and species composition of three functionally distinct communities: plants, small mammals, and large mammals. We found large mammal communities were by far the most heavily impacted by land‐use change, with areas of attempted large wildlife exclusion and intense livestock grazing, respectively, containing 164 and 165 million fewer years of evolutionary history than conserved areas (~40% declines). The effects of land‐use change on PD varied substantially across taxa, type of land‐use change, and, for most groups, also across abiotic conditions. This highlights the need for taxa‐specific or multi‐taxa evaluations, for managers interested in conserving specific groups or whole communities, respectively. It also suggests that efforts to conserve and restore PD may be most successful if they focus on areas of particular land‐use types and abiotic conditions. Importantly, we also describe the substantial species turnover and compositional changes that cannot be detected by alpha diversity metrics, emphasizing that neither PD nor other taxonomic diversity metrics are sufficient proxies for ecological integrity. Finally, our results provide further support for the emerging consensus that conserved landscapes are critical to support intact assemblages of some lineages such as large mammals, but that mosaics of disturbed land‐uses, including both agricultural and pastoral land, do provide important habitats for a diverse array of plants and small mammals.
Effects of nutrient supply, herbivory, and host community on fungal endophyte diversity
Authors: Seabloom Eric W. , Condon Bradford , Kinkel Linda , Komatsu Kimberly J. , Lumibao Candice Y. , May Georgiana , McCulley Rebecca L. , Borer Elizabeth T.
Published: July 2019

The microbes contained within free‐living organisms can alter host growth, reproduction, and interactions with the environment. In turn, processes occurring at larger scales determine the local biotic and abiotic environment of each host that may affect the diversity and composition of the microbiome community. Here, we examine variation in the diversity and composition of the foliar fungal microbiome in the grass host, Andropogon gerardii, across four mesic prairies in the central United States. Composition of fungal endophyte communities differed among sites and among individuals within a site, but was not consistently affected by experimental manipulation of nutrient supply to hosts (A. gerardii) or herbivore reduction via fencing. In contrast, mean fungal diversity was similar among sites but was limited by total plant biomass at the plot scale. Our work demonstrates that distributed experiments motivated by ecological theory are a powerful tool to unravel the multiscale processes governing microbial community composition and diversity.
In‐situassessment of the spatial arrangement of step–pool units on eroded rills
Authors: Giménez Rafael , Zubieta Elena , Govers Gerard , Campo‐Bescos Miguel A.
Published: July 2019

Rills are generated on homogeneous hillslopes by the action of different discharges and evolve morphologically over short timescales due to a strong interaction between the flow and bed morphology. Such an interaction generates a reconfiguration of the bed geometry. Previous works suggest that bed geometry is often characterized by alternation between pools and flat reaches (steps). Each step–pool unit may contribute to hydraulic resistance and affects flow behaviour. The objectives of this work are (i) to assess different (innovative) techniques for thein‐situassessment of rill bed geometry, (ii) to use these techniques to assess the geometry of eroded rillsin situin order to determine the spatial arrangement in the bed macro‐scale roughness and (iii) finally to analyse the role of slope and discharge as driving factors associated with the development of these macroforms.

Roughly rectilinear, long rills were formed in the field as a result of combining different slope and discharges. Photogrammetry provided detailed digital elevation models (DEMs) before and after the experiments. The rills were morphologically characterized from the DEMs. In each rill, the presence of step–pools was identified from long profiles according mainly to morphological criteria published elsewhere, but withad hoccritical threshold values more appropriate for small eroded channels.

The minimum slope required for the development of step–pool units seems to be somewhere between 5 and 15%. Discharge seems to affect pool size or roughness amplitude.

There does not seem to be a clear step–pool periodicity. However, external factors could have affected the normal growth and alternation of these structures. Identification of steps and pools from longitudinal elevation profiles can be objectively accomplished using a series of geometric rules originally proposed for rivers and large channels, and adapted to rills. © 2019 John Wiley & Sons, Ltd.
Solubility, structural properties, and immunomodulatory activities of rice dreg protein modified with sodium alginate under microwave heating
Authors: Meng Xiangyong , Li Tingting , Song Teng , Chen Chang , Venkitasamy Chandrasekar , Pan Zhongli , Zhang Huien
Published: July 2019

This research aims to investigate the solubility, structural properties, and immunomodulatory of rice dreg protein (RDP) modified with sodium alginate. The modification was done by wet heating assisted with microwave treatment. The solubility, emulsifying properties at pH 2–12, amino acid composition, molecular weight distribution, circular dichroism (CD) spectroscopy, and FTIR spectra of modified RDP were analyzed and discussed. Results showed that Maillard reaction could significantly enhance the solubility and emulsifying capacity of RDP. Further, an animal model for cyclophosphamide‐induced immunodeficiency was designed to evaluate the immunomodulatory effect of modified RDP. It is therefore suggested that modified RDP could improve the immunomodulatory effect of immunosuppressed mice, and the immunomodulation was concentration dependent, being generally enhanced by increased concentrations. This research revealed that glycosylation modification of RDP through Maillard reaction by wet heating assisted with microwave treatment may be successfully applied to improve the physicochemical properties and bioactive benefits of the final product.
Information share and its predictability in the Indian stock market
Authors: Karmakar Madhusudan , Inani Sarveshwar
Published: July 2019

The study investigates price discovery in the Indian stock market and finds that spot market plays a dominating role in price discovery when it is estimated for the entire period as a whole. However, periodic measures of price discovery suggest that it does not remain the same throughout the period, but varies with time. Panel data analysis also indicates that spot market is more efficient in price discovery for majority of size and sector panels. Finally, while market state‐related variables are found to impact information shares in a majority of the cases, macroeconomic announcements rarely predict the price discovery.
Posttranscriptional Inhibition of Protein Tyrosine Phosphatase Nonreceptor Type 23 by Staphylococcal Nuclease and Tudor Domain Containing 1: Implications for Hepatocellular Carcinoma
Authors: Jariwala Nidhi , Mendoza Rachel G. , Garcia Dawn , Lai Zhao , Subler Mark A. , Windle Jolene J. , Mukhopadhyay Nitai D. , Fisher Paul B. , Chen Yidong , Sarkar Devanand
Published: July 2019

Oncoprotein staphylococcal nuclease and tudor domain containing 1 (SND1) regulates gene expression at a posttranscriptional level in multiple cancers, including hepatocellular carcinoma (HCC). Staphylococcal nuclease (SN) domains of SND1 function as a ribonuclease (RNase), and the tudor domain facilitates protein–oligonucleotide interaction. In the present study, we aimed to identify RNA interactome of SND1 to obtain enhanced insights into gene regulation by SND1. RNA interactome was identified by immunoprecipitation (IP) of RNA using anti‐SND1 antibody from human HCC cells followed by RNA immunoprecipitation sequencing (RIP‐Seq). Among RNA species that showed more than 10‐fold enrichment over the control, we focused on the tumor suppressor protein tyrosine phosphatase nonreceptor type 23 (PTPN23) because its regulation by SND1 and its role in HCC are not known. PTPN23 levels were down‐regulated in human HCC cells versus normal hepatocytes and in human HCC tissues versus normal adjacent liver, as revealed by immunohistochemistry. In human HCC cells, knocking down SND1 increased and overexpression of SND1 decreased PTPN23 protein. RNA binding and degradation assays revealed that SND1 binds to and degrades the 3′‐untranslated region (UTR) of PTPN23 messenger RNA (mRNA). Tetracycline‐inducible PTPN23 overexpression in human HCC cells resulted in significant inhibition in proliferation, migration, and invasion and in vivo tumorigenesis. PTPN23 induction caused inhibition in activation of tyrosine‐protein kinase Met (c‐Met), epidermal growth factor receptor (EGFR), Src, and focal adhesion kinase (FAK), suggesting that, as a putative phosphatase, PTPN23 inhibits activation of these oncogenic kinases. Conclusion: PTPN23 is a novel target of SND1, and our findings identify PTPN23 as a unique tumor suppressor for HCC. PTPN23 might function as a homeostatic regulator of multiple kinases, restraining their activation.
Acetaminophen Intoxication Rapidly Induces Apoptosis of Intestinal Crypt Stem Cells and Enhances Intestinal Permeability
Authors: Chopyk Daniel M. , Stuart Johnasha D. , Zimmerman Matthew G. , Wen Jing , Gumber Sanjeev , Suthar Mehul S. , Thapa Manoj , Czaja Mark J. , Grakoui Arash
Published: July 2019

Acetaminophen (APAP)‐induced liver injury is the most common cause of acute liver failure (ALF) in the Western world. APAP toxicity progresses to multiorgan dysfunction and thus has broader whole‐body implications. Importantly, greater 30‐day mortality has been observed in liver transplant recipients following ALF due to APAP‐related versus non‐APAP‐related causes. Reasons for this discrepancy have yet to be determined. Extrahepatic toxicities of APAP overdose may represent underappreciated and unaddressed comorbidities within this patient population. In the present study, rapid induction of apoptosis following APAP overdose was observed in the intestine, an organ that greatly influences the physiology of the liver. Strikingly, apoptotic cells appeared to be strictly restricted to the intestinal crypts. The use of leucine‐rich repeat‐containing G protein–coupled receptor 5 (LGR5) reporter mice confirmed that the LGR5‐positive (+) crypt base stem cells were disproportionately affected by APAP‐induced cell death. Although the apoptotic cells were cleared within 24 hours after APAP treatment, potentially long‐lived consequences on the intestine due to APAP exposure were indicated by prolonged deficits in gut barrier function. Moreover, small intestinal cell death was found to be independent of tumor necrosis factor receptor signaling and may represent a direct toxic insult to the intestine by exposure to high concentrations of APAP. Conclusion: APAP induces intestinal injury through a regulated process of apoptotic cell death that disproportionately affects LGR5+
stem cells. This work advances our understanding of the consequences of APAP toxicity in a novel organ that was not previously considered as a significant site of injury and thus presents potential new considerations for patient management.
P‐glycoprotein (MDR1/ABCB1) controls brain accumulation and intestinal disposition of the novel TGF‐β signaling pathway inhibitor galunisertib
Authors: Li Wenlong , Tibben Matthijs , Wang Yaogeng , Lebre Maria C. , Rosing Hilde , Beijnen Jos H. , Schinkel Alfred H.
Published: July 2019

Galunisertib (LY2157299), a promising small‐molecule inhibitor of the transforming growth factor‐beta (TGF‐β) receptor, is currently in mono‐ and combination therapy trials for various cancers including glioblastoma, hepatocellular carcinoma and breast cancer. Using genetically modified mouse models, we investigated the roles of the multidrug efflux transporters ABCB1 and ABCG2, the OATP1A/1B uptake transporters and the drug‐metabolizing CYP3A complex in galunisertib pharmacokinetics. In vitro, galunisertib was vigorously transported by human ABCB1, and moderately by mouse Abcg2. Orally administered galunisertib (20 mg/kg) was very rapidly absorbed. Galunisertib brain‐to‐plasma ratios were increased by ~24‐fold in Abcb1a/1b−/− and Abcb1a/1b;Abcg2−/− mice compared to wild‐type mice, but not in single Abcg2−/− mice, whereas galunisertib oral availability was not markedly affected. However, recovery of galunisertib in the small intestinal lumen was strongly reduced in Abcb1a/1b−/− and Abcb1a/1b;Abcg2−/− mice. Oral coadministration of the ABCB1/ABCG2 inhibitor elacridar boosted galunisertib brain accumulation in wild‐type mice to equal the levels seen in Abcb1a/1b;Abcg2−/− mice. Oatp1a/1b deficiency did not alter oral galunisertib pharmacokinetics or liver distribution. Cyp3a−/− mice showed a 1.9‐fold higher plasma AUC0–1 hr than wild‐type mice, but this difference disappeared over 8 hr. Also, transgenic human CYP3A4 overexpression did not significantly alter oral galunisertib pharmacokinetics. Abcb1 thus markedly restricts galunisertib brain penetration and affects its intestinal disposition, possibly through biliary excretion. Elacridar coadministration could fully inhibit both processes, without causing acute toxicity. Moreover, mouse Cyp3a, but not human CYP3A4, may eliminate galunisertib at high plasma concentrations. These insights may help to guide the further clinical development and application of galunisertib.
Survival differences by race/ethnicity among children and adolescents diagnosed with germ cell tumors
Authors: Williams Lindsay A. , Frazier A. Lindsay , Poynter Jenny N.
Published: July 2019

Survival differences by racial and ethnic group have been reported in children and adolescents with germ cell tumors (GCTs), but whether these differences depend on stage of disease is unclear. Using the SEER 18 registries (2000–2015), we examined GCT survival differences by race/ethnicity (non‐Hispanic white [NHW], Black, Asian/Pacific Islander [API], Hispanic) separately for males and females aged 0–19 years at diagnosis. We used Kaplan–Meier survival curves (Log‐Rank p values) to characterize survival differences. Cox proportional hazards models were used to estimate hazard ratios (HR) and 95% confidence intervals (95% CI) for the association between race/ethnicity and death. Using an inverse odds weighting mediation analysis, we estimated the association between race/ethnicity and death treating stage of disease as the mediator. There were no significant racial/ethnic survival differences among females. Male survival differed by race/ethnicity (p < 0.0001) with NHW males having the best survival. Compared to NHW, API and Hispanic males had significantly higher risks of death (API HR: 2.18; 95% CI: 1.32–3.56; Hispanic HR: 1.98; 95% CI: 1.42–2.78) (model adjusted for age and year at diagnosis, tumor histology and location, stage). This association was mediated by stage of disease only among Hispanic males with gonadal tumors (indirect HR: 1.18; 95% CI: 1.03–1.35). The increased risk of death after a testicular GCT diagnosis observed among Hispanic males was mediated by stage of disease. For API males and Hispanic males with extragonadal tumors, other unidentified factors including differences in exposures, tumor biology or treatment received may impact the observed racial/ethnic survival disparities.
Retracted: A randomized controlled trial of the safety and efficacy of preoperative rectal misoprostol for prevention of intraoperative and postoperative blood loss at elective cesarean delivery
Authors: Maged Ahmed M. , Fawzi Tarek , Shalaby Mohamed A. , Samy Ahmed , Rabee Mohamed A. , Ali Ahmed S. , Hussein Eman A. , Hammad Bahaa , Deeb Wesam S.
Published: July 2019

Objective

To assess the safety and efficacy of preoperative rectal misoprostol for the prevention of intraoperative and postoperative blood loss in women undergoing elective cesarean delivery.

Methods

A single‐blind randomized controlled trial of 200 full‐term pregnant women scheduled for elective cesarean delivery. Computer‐generated randomization allocated women to receive 400 μg rectal misoprostol at urinary catheter insertion plus 400 μg rectally after abdominal closure (preoperative group, n=100) or 800 μg of rectal misoprostol after abdominal closure (postoperative group, n=100). Primary outcome was intraoperative blood loss.

Results

Intraoperative blood loss was significantly lower in the preoperative misoprostol group compared with the postoperative group (528.7 ± 114.8 mL vs 788.6 ± 165.8 mL; P<0.001). Blood loss during the first 24 hours after delivery was also lower in the preoperative group (199.3 ± 84.5 mL vs 302.9 ± 125.6 mL; P<0.001). Fewer women in the preoperative group needed additional uterotonics (7 vs 21; P<0.001). After delivery, the decrease in both hemoglobin and hematocrit levels was significantly less in the preoperative group (−6.8 vs −12.8% and −6.05 vs −17.8%, respectively; P<0.001).

Conclusion

Preoperative rectal administration of misoprostol significantly reduced intraoperative and postoperative blood loss during and after elective cesarean delivery.

ClinicalTrial.gov ID: NCT03680339. Date of registration 9/2018
OPTIMIZATION OF THE CROPPING PATTERN OF MAIN CEREALS AND IMPROVING WATER PRODUCTIVITY: APPLICATION OF THE WATER FOOTPRINT CONCEPT
Authors: Ramezani Etedali Hadi , Ahmadaali Khaled , Gorgin Faraz , Ababaei Behnam
Published: July 2019

Different components of water footprint (WF) (green, blue, grey and white) and WF volume (WFV) were estimated for three main cereal crops in Iran (wheat, barley and maize) in the main cereal‐producing provinces. In order to classify the selected provinces according to their corresponding WFVs, hierarchical cluster analysis (HCA) was applied for clustering the WFV of maize, barley and wheat in irrigated and rainfed conditions. Then, the linear programming (LP) technique was used to determine the optimal cultivated area for cereals in order to minimize the total national WFV in irrigated and rainfed lands. The WFV of wheat, barley and maize production in irrigated lands were estimated to be 25 100, 5980 and 4610 Mm3 yr−1, respectively, under the current practice. The optimized values of WFV under irrigated conditions were 877, 338 and 374 Mm3 yr−1 lower than the current values, implying nearly 3.5, 5.7 and 8.1% achievable reductions. The reduction in rainfed lands was estimated to be 332 Mm3 yr−1 or 2.9% for wheat (from 11 300 to 11 000 Mm3 year−1) and 338 Mm3 yr−1 or 5.7% for barley (from 5950 to 5610 Mm3 yr−1). The results show that by optimizing the cultivated area of the main cereals in Iran, 2,210 Mm3 yr−1 or 4.5% of the national WFV could be saved. © 2019 John Wiley & Sons, Ltd.
Synthesis, spectroscopic characterization, quantum chemical calculations, evaluation of biological and cytotoxic activities, and molecular docking studies of 2‐hydroxy‐N′‐(4,5,6‐trimethoxy‐2,3‐dihydro‐1H‐inden‐1‐ylidene) benzohydrazide and its Cu(II), Co(II), Ni(II), and Zn(II) complexes
Authors: Aldulmani Sharah A. A. , Alaghaz Abdel‐Nasser M. A.
Published: July 2019

In the present study, the title compound 2‐hydroxy‐N′‐(4,5,6‐trimethoxy‐2,3‐dihydro‐1H‐inden‐1‐ylidene) benzohydrazide (L) was synthesized and its Cu(II), Co(II), Ni(II) and Zn(II) complexes (1–4) were characterized using ultraviolet–Vis, FT‐IR, nuclear magnetic resonance (1H and 13C), electron spin resonance, powder‐X‐ray diffraction, and mass spectral techniques. The investigation on antioxidant activity indicate that the complex 1 and complex 3 have good scavenging activity against various free radicals (2‐diphenyl‐1‐picrylhydrazyl) with IC50 values ranging from 10.14 to 12.16 μg/mL. The in vitro cytotoxicity of these complexes was evaluated using the 3‐4,5‐dimethylthiazole‐2,5‐diphenyltetraazolium bromide assay. The results demonstrate that complexes 1 and 2 show good anticancer activities against human tumor cell line‐7 (breast cancer cell line) and Hep‐G2 (human liver cancer cell line) cell lines with IC50 values of 6.38 and 6.20 μg/mL and that complex 1 is next to complex 2 with IC50 values of 7.26 and 8.15 μg/mL, respectively. The results of antimicrobial activity also suggest that the complex 1 and complex 2 exhibited greater cell death counts for gram positive and gram negative bacterial and antifungal strains with good inhibition values.
Aqua‐mediated rapid and benign synthesis of 1,2,6,7‐tetrahydro‐8H‐indeno[5,4‐b]furan‐8‐one‐appended novel 2‐arylidene indanones of pharmacological interest at ambient temperature
Authors: Adole Vishnu A. , Pawar Thansing B. , Jagdale Bapu S.
Published: July 2019

In the present investigation, a green aqua‐mediated protocol for the synthesis of novel 2‐arylidene indanone derivatives from 1,2,6,7‐tetrahydro‐8H‐indeno[5,4‐b]furan‐8‐one was unveiled. The application of water in organic reactions as a solvent is one of the incredible tools of green chemistry as reactions can be carried out under benign conditions minimizing environmental hazard and chemical waste. A library of novel 2‐arylidene indanone derivatives are synthesized in good to excellent yield by utilizing the green potential of water as a solvent. The structures of all novel 2‐arylidene indanone derivatives reported herein are confirmed using Fourier‐transform infrared spectroscopy (FTIR), 1H NMR, 13C NMR, 19F NMR, distortionless enhancement by polarization transfer (DEPT), and High Resolution Mass Spectrometry (HRMS) techniques.