bluuebunny/crossref_metadata_2025 huggingface dataset:
Ranging behavior and potential for territoriality in equatorial sakis (Pithecia aequatorialis) in Amazonian Ecuador
Authors: Van Belle Sarie , Porter Amy , Fernandez‐Duque Eduardo , Di Fiore Anthony
Published: October 2018

Objectives

Territoriality refers to the consistent defense of an area within the home range (HR) against intrusions of conspecifics. It implies exclusive space use with low degree of overlap among neighboring groups, high site fidelity, specific ranging behavior such as high mobility relative to HR size and frequent visits of territory borders, and monitoring behavior. We examined ranging behavior and use of space to evaluate territoriality in Pithecia aequatorialis in Ecuador.

Materials and methods

Between 2005 and 2015, we monitored one main study group continuously and five additional groups for shorter periods (5 months to 2.5 years) at the Tiputini Biodiversity Station, in eastern Ecuador. We scored the location of the study groups at 20 min intervals during, on average, 5 days per month. We estimated saki HRs and core areas (CAs) using the fixed kernel density method (95 and 50%, respectively).

Results

The average HR size was 57 ha and the average CA 14 ha. The degree of overlap between HRs of neighboring groups was low (2–9%). For the main study group, the average overlap between annual HRs was 82%. Mean daily path length across groups was 1,151 m; the defensibility index varied between 1.1 and 2.3 (values >1 are suggestive of territoriality), and the fractional monitoring rate varied between 0.06 and 0.15 (values >0.08 are suggestive of territoriality). Groups did not visit their HR borders (100 m inner buffer) more often than would be expected by chance. Travel speed and directness were comparable between the borders and the centers of groups' HRs.

Discussion

Our multiyear study suggests that equatorial sakis show low degree of range overlap and high site fidelity and have the potential to be territorial, given their high mobility relative to HR size that allows for frequent border monitoring. Nevertheless, their movement patterns in border areas did not reveal evidence for monitoring behavior.
Palladium‐Catalyzed Divergent Cyclopropanation by Regioselective Solvent‐Driven C(sp3)−H Bond Activation
Authors: Chung Da Sol , Lee Jae Sung , Ryu Ho , Park Jiyong , Kim Hyunjoong , Lee Joo Hyun , Kim U Bin , Lee Won Koo , Baik Mu‐Hyun , Lee Sang‐gi
Published: October 2018

Reported is a tandem palladium‐catalyzed Heck/regioselective C(sp3)−H activation reaction for the divergent synthesis of spiro‐ and fused‐cyclopropanated indolines from N‐methallylated 2‐bromoarylamides. The regioselectivity of the C−H bond activation in the σ‐alkylPdII intermediate is controlled by the solvent used. DFT calculations suggest that the polarity of solvent molecules could influence the transition‐state energy, leading to a bifurcation of the C−H bond activation in the σ‐alkylPdII intermediate.
Solid‐Phase Conversion of Four Stereoisomers into a Single Enantiomer
Authors: Engwerda Anthonius H. J. , Mertens Johannes C. J. , Tinnemans Paul , Meekes Hugo , Rutjes Floris P. J. T. , Vlieg Elias
Published: October 2018

Viedma ripening is an emerging method for the solid‐phase deracemization of mixtures of enantiomers. Up to now, the scope of the method has remained limited to molecules with a single stereocenter. We show here that this method can be extended to obtain a single enantiomer from a mixture of stereoisomers with two different stereocenters. In addition, we show that by using tailor‐made chiral additives, the conversion time can be reduced by a factor of 100.
Activated carbon‐supported cobalt molybdate as a heterogeneous catalyst to activate peroxymonosulfate for removal of organic dyes
Authors: Tao Xiaoming , Wu Yunhai , Wu Yunying , Zhang Bing , Sha Haitao , Cha Ligen , Liu Ningning
Published: October 2018

Activated carbon‐supported cobalt molybdate (CoMoO4/AC) composite was conveniently fabricated using a simple hydrothermal route and high‐temperature calcination, aiming to create a novel heterogeneous catalyst for activation of peroxymonosulfate (PMS) to degrade organic dyes. The CoMoO4/AC catalyst was characterized using scanning electron microscopy, powder X‐ray diffraction, energy‐dispersive spectroscopy, Fourier transform infrared spectroscopy, Raman spectroscopy, elemental mapping analysis and X‐ray photoelectron spectroscopy. Efficient catalytic activity, high stability and superior reusability were observed. Additionally, the catalytic performance of CoMoO4/AC was systematically assessed through numerous controlled experiments and several operational factors, such as catalyst dosage, oxidant dosage, reaction temperature, initial pH and catalyst stability. Under the condition of CoMoO4/AC = 0.1 g l−1, oxidant = 2.0 mM, dye = 100 mg l−1, T = 25°C, the removal of methylene blue reached 90% within 60 min without pH adjustment. Batch experiment results showed that the degradation of organic dye relied upon the dosage of catalyst and oxidant and reaction temperature. Further, high catalyst and oxidant dosage, as well as high reaction temperature, were favorable for dye removal. Moreover, quenching experiments suggested that the CoMoO4/AC catalyst successfully activated PMS to generate sulfate and hydroxyl radicals. A rational mechanism is proposed based on a non‐radical process and a free radical process. The result revealed that the enhanced active sites were mainly ascribed to the synergistic effects between Co species and oxygen‐containing functional groups (especially ketone groups) on the catalyst surface. The findings of this study demonstrated the as‐prepared CoMoO4/AC composite has potential superiority for refractory organic contaminant removal from water.
New organometallic complex supported on mesoporous silica and its enzymes activity inhibition properties
Authors: Niculescu Violeta‐Carolina , Paun Gabriela , Parvulescu Viorica
Published: October 2018

An organometallic platinum complex with 2,3‐disubstituted‐1,4‐naphthoquinonewas evaluated as a potential new anti‐ulcer drug, due to its inhibition effect on urease. This complex was supported on the obtained SBA‐15 and SBA‐15‐NH2 mesoporous silica with typical structure and texture. Presence of the amine group and the organometallic complex on the silica materials was confirmed by FT‐IR measurements. Determination of the urease activity was made with Nessler reagent. The obtained results evidenced a high inhibitor effect on urease activity. This effect was diminished after Pt complex immobilization on mesoporous silica. Although the inhibitor effect of Pt complex on urease activity decreased, it was evidenced its stability after immobilization on silica mesoporous supports. This is the consequence of a longer releasing time for Pt complex immobilized on mesoporous silica, more significant for sample supported on SBA‐15‐NH2.
Half‐sandwich Iridium(III) Benzimidazole‐Appended Imidazolium‐Based N‐heterocyclic Carbene Complexes and Antitumor Application
Authors: Han Yali , Liu Xicheng , Tian Zhenzhen , Ge Xingxing , Li Juanjuan , Gao Min , Li Yanru , Liu Yi , Liu Zhe
Published: October 2018

A series of half‐sandwich iridium(III) benzimidazole‐appended imidazolium‐based N‐heterocyclic carbene (NHC) antitumor complexes [(η5‐Cpx)Ir(C^N)Cl]Cl, where Cpx is pentamethylcyclopentadienyl (Cp*) or its biphenyl derivative (Cpxbiph) and C^N is a NHC chelating ligand, were successfully synthesized and characterized. The IrIII complexes showed potential antitumor activity against A549 cells, at most three times more potent than cis‐platin under the same conditions. Complexes could bind to BSA by a static quenching mode, catalyzing the change of NADH to NAD+ and inducing the production of reactive oxygen species (maximum turnover number, 9.8), which play an important role in regulating cell apoptosis. Confocal microscopy showed that the complexes could specifically target lysosomes in cells with a Pearson's co‐localization coefficient 0.76 and 0.72 after 1 h and 6 h, respectively, followed an energy‐dependent cellular uptake mechanism and damaged the integrity of lysosomes. At the same time, complexes caused a marked loss of mitochondrial membrane potential.
Enhanced Chemical Stability of Hirsutenone Incorporated into a Nanostructured Lipid Carrier Formulation Containing Antioxidants
Authors: Lee Sang Gon , Shin Dong Jun , Lee Eun Seok , Goo Yoon Tae , Kim Chang Hyun , Yoon Ho Yub , Lee Min Won , Bang Hyoweon , Seo Seong Jun , Choi Young Wook
Published: October 2018

To enhance the chemical stability of hirsutenone (HST), a natural diarylheptanoid, nanostructured lipid carrier (NLC) formulations containing antioxidants were employed. The stability and shelf‐life of HST‐containing formulations were assessed by using accelerated aging tests. Drug‐free NLC formulations, using Compritol 888 ATO as a solid lipid, Labrafil M1944 CS as an oil, and Tween 80 as a surfactant, had a particle size of approximately 177 nm, a polydispersity index of 0.257, and a zeta potential of −15.5 mV. Drug‐ or antioxidant‐loading slightly increased the particle size but did not alter the surface charge of the NLC formulations. HST entrapment efficiencies were 86.83% and 88.19% for antioxidant‐free and antioxidant‐added NLC formulations, respectively. NLC formulations extended the half‐life of HST relative to aqueous solutions, but the stabilizing effect was unsatisfactory. The use of 1% ascorbyl palmitate (AP) and 1% ethylenediaminetetraacetic acid (EDTA) in the NLC formulations resulted in the greatest stabilization of HST, with a half‐life of approximately 120 days at 40°C. The stability assessments of different NLC formulations were conducted based on the first‐order kinetics and the shelf‐life at different temperatures was estimated by using the Q10 method. Assuming a Q10 value of 2, the shelf‐life of AP/EDTA‐added NLC formulations at 25°C and 4 °C was 51.2 and 219.5 days, respectively. Although the HST stability was considerably enhanced by NLC formulation and further improved by adding antioxidants, alternative studies to assure the sufficient stability and enable the practical application of NLC formulations in product development are still required.
Effect of Reynolds Number on Laminar Mixing in an Annular Tube Combining Two Crossed Secondary Flows
Authors: Bouvier Pascale , André Christophe , Russeil Serge
Published: October 2018

To improve static and continuous mixers, several methods have been proposed in the literature. Herein, two well‐known passive intensification configurations were applied to an annular laminar flow and numerically studied. Residence time distributions (RTDs) and Poincaré sections were examined to investigate the dispersion of the particles. These two approaches show that geometric perturbations of the walls improve the mixing level for all Reynolds numbers investigated. Above Re = 300, the increase in mixing can be attributed to chaotic advection within the flow. Finally, a general reactor model that allows the RTD in the annular tube to be predicted with high confidence is proposed.
Electrochemical and Operando Spectroscopic Studies of Sr2Fe1.5Mo0.5O6‐δ Anode Catalysts in Solid Oxide Fuel Cells Operating with Direct Alcohol Fuels
Authors: Bode Gregory L. , McIntyre Melissa D. , Neuberger Daniel M. , Walker Robert A. , Thorstensen Brad P. , Eigenbrodt Bryan C.
Published: October 2018

The front cover artwork is provided by the Eigenbrodt (Villanova University, USA) and Walker (Montana State University, USA) research groups. The cover picture shows a background image of the operando spectroscopy apparatus focusing the Raman laser onto the solid oxide fuel cell's Sr2Fe1.5Mo0.5O6‐δ anode catalyst at 800 °C. The forefront of this cover photo showcases Raman spectra that reveal that the anode catalyst has the ability to resists detrimental graphite deposits during fuel cell operation with direct alcohol fuels. Read the full text of the Article at 10.1002/celc.201800827.
Fluorinated Carbohydrates as Lectin Ligands: Synthesis of OH/F‐SubstitutedN‐Glycan Core Trimannoside and Epitope Mapping by 2D STD‐TOCSYreF NMR spectroscopy
Authors: Diercks Tammo , Infantino Angela Simona , Unione Luca , Jiménez‐Barbero Jesús , Oscarson Stefan , Gabius Hans‐Joachim
Published: October 2018

Glycan‐protein interactions play an important role in a broad range of physiological processes, raising interest to elucidate the structural interplay. Yet, their dynamic nature limits the analysis by crystallography, whereas NMR spectroscopy suffers from the low1H dispersion of glycans. Therefore, their sparse fluorination and NMR screening by 1D Saturation Transfer Difference with relay to19F (STDreF) was previously proposed to exploit the superior dispersion in19F NMR spectroscopy. A new 2D STD‐TOCSYreF experiment is presented here that enables comprehensive epitope mapping of fluorinated glycans by combining the spectral resolution of19F with the spatial resolution and coverage of1H. For an illustration, the 2‐deoxy‐2‐fluoro derivative of theN‐glycan core trimannoside was synthesised and its recognition ofPisum sativumagglutinin by either of the two terminal mannose residues was confirmed. Going beyond the crystallographic information, the 2D STD‐TOCSYreF spectrum moreover visualised collateral contacts from the branching mannose and allowed to assess the ratio of both co‐existing binding modes through the α1,3‐ (67 %) and α1,6‐linked (33 %) terminal mannose moieties.
Multivalent Fucosides with Nanomolar Affinity for the Aspergillus fumigatus Lectin FleA Prevent Spore Adhesion to Pneumocytes
Authors: Lehot Victor , Brissonnet Yoan , Dussouy Christophe , Brument Sami , Cabanettes Aurore , Gillon Emilie , Deniaud David , Varrot Annabelle , Le Pape Patrice , Gouin Sébastien G.
Published: October 2018

FleA (or AFL), a fucose lectin, was recently identified in the opportunistic mold Aspergillus fumigatus, which causes fatal lung infections in immunocompromised patients. We designed di‐, hexa‐ and octavalent fucosides with various spacer arm lengths to block the hexameric FleA through chelation. Microcalorimetry measurements showed that the ethylene glycol (EG) spacer arm length has a strong influence on the binding affinity of the divalent fucosides. The relationship between the EG length and chelate binding efficiency to FleA was explored according to polymer theory. Hexa‐ and octavalent compounds based on cyclodextrin and octameric silsesquioxane scaffolds were nanomolar FleA inhibitors, surpassing their monovalent fucose analogue by more than three orders of magnitude. Importantly, some of the fucosides were highly efficient in preventing fungal spore adhesion to bronchoepithelial cells, with half maximal inhibitory concentration values in the micromolar range. We propose that the synergistic antiadhesive effect observed can be ascribed to chelate binding to FleA and to the formation of conidium aggregates, as observed by optical microscopy. These fucosides are promising tools that can be used to better understand the role of FleA in conidia pathogenicity and host defenses against invasive aspergillosis.
Planar‐Chiral Ferrocene‐Based N‐Heterocyclic Carbene Ligands
Authors: Yoshida Kazuhiro , Yasue Risa
Published: October 2018

In the last few decades, N‐heterocyclic carbene (NHC) ligands, characterized by attractive features, have increased their presence in transition‐metal catalysis. However, chiral NHC ligands still require further design enhancement to realize far more exciting synthetic applications. This review documents advances in chiral NHC ligands, focusing on planar‐chiral ferrocene‐based NHCs. As the basic shape of most classes of NHC rings is planar, it seems rational to employ a planar‐chiral element in the design of chiral NHC ligands.
Molecular Basis for the Mechanical Response of Sulfa Drug Crystals
Authors: SeethaLekshmi Sunil , Kiran Mangalampalli S. R. N. , Ramamurty Upadrasta , Varughese Sunil
Published: October 2018

Comprehension of the nanomechanical response of crystalline materials requires the understanding of the elastic and plastic deformation mechanisms in terms of the underlying crystal structures. Nanoindentation data were combined with structural and computational inputs to derive a molecular‐level understanding of the nanomechanical response in eight prototypical sulfa drug molecular crystals. The magnitude of the modulus, E, was strongly connected to the non‐covalent bond features, that is, the bond strength, the relative orientation with the measured crystal facet and their disposition in the crystal lattice. Additional features derived from the current study are the following. Firstly, robust synthons well isolated by weak and dispersive interactions reduce the material stiffness; in contrast, the interweaving of interactions with diverse energetics fortifies the crystal packing. Secondly, mere observation of layered structures with orthogonal distribution of strong and weak interactions is a prerequisite, but inadequate, to attain higher plasticity. Thirdly, interlocked molecular arrangements prevent long‐range sliding of molecular planes and, hence, lead to enhanced E values. In a broader perspective, the observations are remarkable in deriving a molecular basis of the mechanical properties of crystalline solids, which can be exploited through crystal engineering for the purposeful design of materials with specific properties.
Diphenylamine‐Substituted Osmanaphthalyne Complexes: Structural, Bonding, and Redox Properties of Unusual Donor–Bridge–Acceptor Systems
Authors: Zhang Ming‐Xing , Zhang Jing , Jin Xuyang , Sun Xiaona , Yin Jun , Hartl František , Liu Sheng Hua
Published: October 2018

Diarylamine‐substituted osmanaphthalyne complexes that feature two redox centers linked by the rigid skeleton of the metallacycle (C^C+), specifically, [OsCl2(PPh3)2{(C^C+)NAr2}][BF4−] (Ar=Ph (1 a), p‐MeOPh (1 b)) and their open‐ring precursors [OsHCl2(PPh3)2{(≡C−C(PPh3+)=CHPh)NR2}][BF4−] (Ar=Ph (2 a), p‐MeOPh (2 b)), were successfully synthesized and characterized by 1H, 13C, and 31P NMR spectroscopy, ESI‐MS, and elemental analysis. The solid‐state molecular structures of complexes 1 a and 2 a were ascertained by single‐crystal X‐ray diffraction. The Os≡C bond length in both complexes 1 a and 2 a fell within the range reported for similar osmanaphthalynes and osmium carbyne complexes, respectively. The structural parameters determined for complex 1 a, which were successfully reproduced by theoretical calculations, point to a π‐delocalized metallacycle structure. The purple color of compounds 1 a and b was explained by the diarylamine→Os(metallacycle) charge‐transfer absorption in the visible region. The neutral, one‐electron‐oxidized and one‐electron‐reduced states of compounds 1 a, b, and a reference complex that lacked the diarylamine substituent, [OsCl2(PPh3)2{(C^C+)}][BF4−] (1′), were investigated by cyclic and square‐wave voltammetry, UV/Vis/NIR spectroelectrochemistry, and DFT calculations. The spin density in singly oxidized complexes [1 a]+ and [1 b]+ predominantly resided on the aminyl segment, with osmium involvement controlled by the diphenylamine substitution. Spin density in stable, singly‐reduced [1′]− was distributed mainly over the osmanaphthalyne metallacycle.
Solvent‐Free Mechanochemical Preparation of Hierarchically Porous Carbon for Supercapacitor and Oxygen Reduction Reaction
Authors: Qi Jiawei , Zhang Wendu , Xu Lang
Published: October 2018

Hierarchically porous carbon (HPC) derived from fallen flowers was prepared by a green method of combining solvent‐free ball milling with the safe activating agent potassium bicarbonate. By regulating the mass ratio of KHCO3 to biochar, the as‐prepared HPC materials possess high specific surface areas of up to 2147.9 m2 g−1 and abundant hierarchical pores comprised of micro‐, meso‐, and macropores. The specific capacitances of the HPC materials are able to reach 302.7 F g−1 at a current density of 0.5 A g−1 in 6 m KOH, and the symmetric supercapacitor composed of two identical HPC electrodes shows good stability because 100 % of the specific capacitance is retained after 5000 charge/discharge cycles and 90.5 % of the specific capacitance remains after 12 000 cycles. Nitrogen self‐doped HPC materials also show higher electrocatalytic activity and stronger methanol tolerance for the oxygen reduction reaction than that of the commercial Pt/C catalyst. This preparation method can be extended to the green conversion of other varieties of biomass waste into useful carbon materials.
Recovery of Cu(II) from nickel laterite leach using prereduction and chelating resin extraction: Batch and continuous experiments
Authors: Botelho Junior Amilton B. , Jiménez Correa Mónica M. , Espinosa Denise C. R. , Dreisinger David , Tenório Jorge A. S.
Published: October 2018

The processing of laterite ores for nickel and cobalt production is increasing to meet the global demand for these metals. Sulphuric acid is used as a leaching agent, and metals present in the solution may be recovered by many different processes, such as ion exchange. The main problem with nickel limonite layer leach solution is the high concentration of iron, which decreases the efficiency of resin adsorption of nickel and cobalt. The removal of iron by oxidation and precipitation results in nickel, copper, and cobalt losses (co‐precipitation). The aim of this work was to investigate the chelating resin extraction to recover copper from a leachate combined with a pre‐reduction process, in order to increase the resin's efficiency and to increase its pH above 2.00. The following three synthetic solutions were studied: first, a solution prepared with Fe(III); the second solution was prepared with Fe(II); and the last solution was prepared with Fe(III) using a reducing process. Batch experiments were performed to study the influence of pH and temperature, and column experiments with three solutions were compared in order to verify suitable conditions to recover Cu(II) in a fixed‐bed column process.
Contrasting characteristics of daily physical activity in older adults by cancer history
Authors: Wanigatunga Amal A. , Gresham Gillian K. , Kuo Pei‐Lun , Martinez‐Amezcua Pablo , Zipunnikov Vadim , Dy Sydney M. , Simonsick Eleanor M. , Ferrucci Luigi , Schrack Jennifer A.
Published: October 2018

Background

Using objectively collected physical activity (PA) data from the Baltimore Longitudinal Study of Aging, the authors tested whether patterns of daily activity and sedentary time differed by cancer survivorship in older adults.

Methods

In total, 659 participants (mean age ± standard deviation, 71 ± 10 years; 51% women) who had self‐reported information on cancer history were instructed to wear an accelerometer for 7 consecutive days. Accelerometer data were summarized into: 1) PA volume and 2) activity fragmentation (interrupted activity), expressed as both continuous and as dichotomized (low and high) variables. Participants were categorized into 4 groups by cross‐classification of dichotomous PA volume and fragmentation. Multiple regression models were used to estimate differences in PA patterns by cancer history.

Results

Cancer survivors averaged 0.12 fewer log‐transformed activity counts per day (standard error, 0.05; P = .02) than individuals who reported no history of cancer after adjusting for demographics, behavioral factors, and comorbidities. Although fragmentation did not differ by cancer survivorship in the continuous model (P = .13), cancer survivorship was associated with 77% greater odds (odds ratio, 1.77; 95% confidence interval, 1.11‐2.82) of having high (vs low) fragmentation and 94% greater odds (odds ratio, 1.94; 95% confidence interval, 1.13‐3.33) of having combined low PA/high fragmentation (vs high PA/low fragmentation) relative to those with no cancer history.

Conclusions

The current findings suggest that cancer survivors engage in lower total daily PA and that they perform this activity in a more fragmented manner compared with adults without a history of cancer. These results may reflect the onset and progression of a low‐activity phenotype that is more vulnerable to heightened levels of fatigue and functional decline with aging.
Virus‐Based Nanomotors for Cargo Delivery
Authors: Tejeda‐Rodríguez José A. , Núñez Alfredo , Soto Fernando , García‐Gradilla Víctor , Cadena‐Nava Rubén , Wang Joseph , Vazquez‐Duhalt Rafael
Published: October 2018

Self‐propelled nanomotors based on virus structure were designed, fabricated and characterized. Capsids from plant virus were covered on one hemisphere with platinum layer to promote motion in the presence of hydrogen peroxide. The Janus viral nanomotors (JVNs) with 25–30 nm diameter from brome mosaic virus (BMV) and cowpea chlorotic mottle virus (CCMV) showed motion speeds of up to 9 μm/sec, depending of the peroxide fuel concentration in the medium. The JVNs can carry and deliver the chemo‐therapeutic drug Tamoxifen, and they are able to internalize into breast tumor cells without any functionalization. The therapeutic payload is released by a pH‐driven delivery action of the nanomotor. Here, the first proof of concept of a self‐propelled virus‐like nanoparticle is demonstrated. The attractive capabilities of nanomotors based on virus‐like nanoparticles (VLPs) pave the way to diverse biomedical applications.
Conformational Dynamics in the Core of Human Y145Stop Prion Protein Amyloid Probed by Relaxation Dispersion NMR
Authors: Shannon Matthew D. , Theint Theint , Mukhopadhyay Dwaipayan , Surewicz Krystyna , Surewicz Witold K. , Marion Dominique , Schanda Paul , Jaroniec Christopher P.
Published: October 2018

Microsecond to millisecond timescale backbone dynamics of the amyloid core residues in Y145Stop human prion protein (PrP) fibrils were investigated by using 15N rotating frame (R1ρ) relaxation dispersion solid‐state nuclear magnetic resonance spectroscopy over a wide range of spin‐lock fields. Numerical simulations enabled the experimental relaxation dispersion profiles for most of the fibril core residues to be modelled by using a two‐state exchange process with a common exchange rate of 1000 s−1, corresponding to protein backbone motion on the timescale of 1 ms, and an excited‐state population of 2 %. We also found that the relaxation dispersion profiles for several amino acids positioned near the edges of the most structured regions of the amyloid core were better modelled by assuming somewhat higher excited‐state populations (∼5–15 %) and faster exchange rate constants, corresponding to protein backbone motions on the timescale of ∼100–300 μs. The slow backbone dynamics of the core residues were evaluated in the context of the structural model of human Y145Stop PrP amyloid.
A design of waveguide elliptic filter based on resonant diaphragms with a complex aperture
Authors: Zemlyakov Viacheslav , Krutiev Sergey , Tyaglov Mikhail , Shevchenko Valery
Published: October 2018

A novel approach to the synthesis of waveguide band‐pass elliptic filters on the transverse metal resonant diaphragms with the complex aperture is proposed. The aperture of the diaphragm is considered to be a rectangular window with two L‐shaped metal ridges. For the complex conductivity of the diaphragm, we solve the corresponding electrodynamic problem. We also construct and investigate an equivalent circuit of the resonant diaphragm containing a series‐parallel LC circuit. The geometry of the diaphragm aperture is found to be corresponding to the parameters of the equivalent circuit. We construct a third‐order elliptic filter and provide a computer simulation of the diaphragms satisfying the amplitude‐frequency characteristics of its resonators. We show that some resonators can be located on one complex resonant diaphragm, which then reduces the length of the filter. The band‐pass filter for a rectangular waveguide WR137 is developed and manufactured. The central frequency of the filter is 6.6 GHz, the passband width 7.5 % with return loss of −20 dB, and the total length is 34 mm.
Antiallodynic interaction and motor performance of the pregabalin/thioctic acid and pregabalin/α‐tocopherol combinations in neonatal streptozotocin‐induced diabetic rats
Authors: Cruz‐Álvarez Lidia Elizabeth de la , Zúñiga‐Romero Ángel , Huerta‐Cruz Juan Carlos , Flores‐Murrieta Francisco Javier , Reyes‐García Juan Gerardo , Araiza‐Saldaña Claudia Ivonne , Rocha‐González Héctor Isaac
Published: October 2018

Painful peripheral neuropathy can be associated with nerve damage caused by diabetes mellitus. Although pregabalin is the first‐line therapy for peripheral neuropathy, it shows substantial discontinuation rates, mainly because of nervous system side effects as motor incoordination. Multimodal therapy may improve the motor side effect profile of pregabalin. The aim of this study was to evaluate the interaction of pregabalin + thioctic acid or pregabalin + α‐tocopherol on allodynia and motor performance in neonatal streptozotocin‐induced diabetic rats. Efficacy of drugs separately or in combination was tested by tactile allodynia using von Frey filaments. Isobolographic and interaction index analysis were used to determine the antiallodynic interaction between pregabalin and either thioctic acid or α‐tocopherol. Motor performance was measured using a rotarod test. Pregabalin, thioctic acid, and α‐tocopherol reduced, in a dose‐dependent fashion, tactile allodynia. Pregabalin + thioctic acid and pregabalin + α‐tocopherol combinations also dose‐dependently reduced allodynic behavior in diabetic rats. Isobolographic analysis revealed an additive interaction for both combinations. Consistently, the interaction indices confirmed the additive effect between pregabalin + thioctic acid and pregabalin + α‐tocopherol. In addition, the administration of either combination improved motor incoordination induced by pregabalin. Data suggests that thioctic acid or α‐tocopherol could positively impact the therapeutic profile of pregabalin, because they might be useful for reducing motor incoordination associated to pregabalin in patients with peripheral neuropathy.
A comparative study of the pyrolysis and combustion characteristics of sodium‐rich Zhundong coal in slow and rapid processes
Authors: Huang Zhong , Li Na , Zhou Qulan , Wang Duanyang , Yin Huaqiang
Published: October 2018

Coal with high content of alkali metal has limited use in the combustion process. The slow and rapid pyrolysis and combustion characteristics of sodium‐rich Zhundong coal were investigated using a thermal gravimetric analyzer and one‐dimensional drop‐tube furnace. The results show that the process was complete when the final temperature exceeds 900°C in slow pyrolysis, while in rapid pyrolysis it lasts for short residence time in the whole furnace. The weight loss ratio in rapid pyrolysis was significantly higher than that in slow pyrolysis, and shows different trends at different reaction temperatures. There is an extremum value of weight loss ratio obtained at 800°C in rapid pyrolysis, which is accompanied by the maximum value for the diameter of pores and the minimum value for specific surface area. Most alkali elements are released from the solid product, and the amounts of released alkali elements in combustion are higher than that in pyrolysis process. The apparent activation energy in the two pyrolysis processes and release of alkali in combustion were evaluated using different models, which demonstrates that the alkali release trend in combustion is easier than that of pyrolysis.
Evaluation of different pretreatments of Napier grass for enzymatic saccharification and ethanol production
Authors: Tsai Ming‐Hsun , Lee Wen‐Chien , Kuan Wei‐Chih , Sirisansaneeyakul Sarote , Savarajara (Akaracharanya) Ancharida
Published: October 2018

Due to its fast‐growing and high carbohydrate content, Napier grass has a great potential to be chosen as a raw material for renewable energy production. The Napier grass after different pretreatments was tested for simultaneous saccharification and fermentation (SSF) with dried yeast (Saccharomyces cerevisiae) and cellulase (CTec2) to produce ethanol. For alkaline pretreatment, the grass was incubated with 10% NaOH at a ratio of 1:20 (w/v) at 90°C for 1 hour. For dilute acid pretreatment, the grass was soaked with 1% H2SO4 at a ratio of 1:10 (w/v) and incubated at 120°C for 1 hour. For the two‐stage pretreatment, the resultant solid from dilute acid pretreatment was further treated with 2% NaOH (1:10 w/v) at 80°C for 6 hours. After enzymatic saccharification at 50°C and pH 5.0 for 96 hours using CTec2, yields of glucose from three pretreated Napier grass samples (10% water‐insoluble solids, WIS) were 75.4 ± 2.9%, 55.4 ± 6.5%, and 76.4 ± 5.0%. Using 10% WIS of alkaline‐pretreated Napier grass biomass as the substrate, the 72‐hour SSF led to an ethanol yield of 86.6 ± 3.4%. On the basis of the dried biomass of Napier grass as the raw material, the ethanol yield could reach 0.143 ± 0.006 (g/g). Napier grass biomass could be effectively treated by alkaline, dilute acid, or two‐stage pretreatment methods to remove non‐cellulosic components to some extent. Alkaline pretreatment was found to be superior to dilute acid and two‐stage pretreatment methods, based on ethanol yields obtained under similar SSF conditions.
A numerical simulation of a dry‐out process for CO2 sequestration in heterogeneous deep saline aquifers
Authors: Ren Jie , Wang Yuan , Zhang Yingqi
Published: October 2018

Salt precipitation can be generated near the injection well when dry supercritical CO2 (scCO2) is injected into deep saline aquifers. Traditional laboratory experiments and numerical simulations focus on the generation of salt precipitation and its impact on core permeability. Recent laboratory experimental studies have shown that the heterogeneity of the core and water content on the surface of the particles plays an important role in the formation of salt precipitation. The goal of this study is to investigate the effects of brine back‐flow, heterogeneity, and low water content on salt precipitation. Numerical simulations were performed using core‐scale and site‐scale models. Simulation results showed the following: 1. Back‐flow plays an important role in the salt accumulation near the well – an homogeneous laboratory experiment used with a small core may not provide a full picture of the back‐flow phenomenon. 2. The continuous dry‐out process reduces the water content near the injection well to zero. As a result, the full range of saturation flow equations should be used to simulate the dry‐out process accurately. 3. The heterogeneity of the matrix not only affects the distribution of salt precipitation but also increases the amount of salt precipitation near the well. Homogeneous simulation underestimates the amount of salt precipitation. 4. The reduction in porosity due to salt precipitation could extend the dry‐out process in the low permeability zone, further expanding the salt precipitation area. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd.
Geochronology and geochemistry of Early Silurian felsic volcanic rocks in the Dabaoshan ore district, South China: Implications for the petrogenesis and geodynamic setting
Authors: Su Shiqiang , Qin Kezhang , Li Guangming , Pang Xuyong , Zou Xinyu , Zhao Chao
Published: October 2018

The Early Paleozoic orogeny in South China has remained controversial in the long run with debate over intracontinental orogeny versus plate subduction. Limited studies have focused on the Early Paleozoic volcanic rocks in South China, which is crucial for us to understand the tectonic evolution of the South China Block. The Dabaoshan Fe–Cu–Pb–Zn–Mo–W orefield, one of the largest polymetallic deposits in South China, is hosted by Paleozoic volcanic‐sedimentary rocks and Mesozoic granitic porphyry. In this study, zircon U–Pb dating yielded ages of 439.4 ± 2.7 Ma, 439.3 ± 3.2 Ma, and 442.0 ± 2.2 Ma for the Dabaoshan dacite. These ages are all in good agreement within errors and indicate that the dacite formed during the early Silurian (ca. 440 Ma). The dacites are slightly peraluminous, calc‐alkaline with relatively high K2O + Na2O, FeOt, TiO2, CaO/Na2O ratios, and small negative Eu anomalies. They show enrichment in LILEs and LREE and depletion in Ba, Nb, Sr, P, and Ti. It has high initial87Sr/86Sr values (0.70983–0.71140) and negative εNd(t) values ranging from −7.6 to −10 with T2DMages of 1.80–1.99 Ga, εHf(t) values from −4.95 to −15.48 with T2DMages of 1.72 Ga to 2.38 Ga. The overlapped Nd–Hf two‐stage model ages range from 1.89 Ga to 1.99 Ga, which indicates that the Dabaoshan dacite originated from a Paleoproterozoic source. Combining these geochemical and in situ zircon Hf isotopic data, we propose that the Dabaoshan dacite may have originated from the partial melting of mixed source of Paleoproterozoic metasedimentary and metaigneous rocks as a result of underplating of mafic magma during the post‐orogenic collapse and extension followed by lithospheric thining and asthenospheric mantle upwelling in an intraplate setting. Based on field observation and the geochronology results, we propose that the stratiform Cu–Pb–Zn mineralization may be related with the early Silurian volcanic rocks.
Perinatal Nutritional Reprogramming of the Epigenome Promotes Subsequent Development of Nonalcoholic Steatohepatitis
Authors: Gutierrez Sanchez Luz Helena , Tomita Kyoko , Guo Qianqian , Furuta Kunimaro , Alhuwaish Husam , Hirsova Petra , Baheti Saurabh , Alver Bonnie , Hlady Ryan , Robertson Keith D. , Ibrahim Samar H.
Published: October 2018

With the epidemic of obesity, nonalcoholic fatty liver disease (NAFLD) has become the most common pediatric liver disease. The influence of a perinatal obesity‐inducing diet (OID) on the development and progression of NAFLD in offspring is important but incompletely studied. Hence, we fed breeding pairs of C57BL/6J mice during gestation and lactation (perinatally) either chow or an OID rich in fat, fructose, and cholesterol (FFC). The offspring were weaned to either chow or an FFC diet, generating four groups: perinatal (p)Chow‐Chow, pChow‐FFC, pFFC‐Chow, and pFFC‐FFC. Mice were sacrificed at 10 weeks of age. We examined the whole‐liver transcriptome by RNA sequencing (RNA‐seq) and whole‐liver genome methylation by reduced representation bisulfite sequencing (RRBS). Our results indicated that the pFFC‐FFC mice had a significant increase in hepatic steatosis, injury, inflammation, and fibrosis, as assessed histologically and biochemically. We identified 189 genes that were differentially expressed and methylated in the pFFC‐FFC mice versus the pChow‐FFC mice. Gene set enrichment analysis identified hepatic fibrosis/hepatic stellate cell activation as the top canonical pathway, suggesting that the differential DNA methylation events in the mice exposed to the FFC diet perinatally were associated with a profibrogenic transcriptome. To verify that this finding was consistent with perinatal nutritional reprogramming of the methylome, we exposed pFFC‐Chow mice to an FFC diet in adulthood. These mice developed significant hepatic steatosis, injury, inflammation, and more importantly fibrosis when compared to the appropriate controls.Conclusion: Perinatal exposure to an OID primes the immature liver for an accentuated fibrosing nonalcoholic steatohepatitis (NASH) phenotype, likely through nutritional reprogramming of the offspring methylome. These data have potential clinical implications for monitoring children of obese mothers and risk stratification of children with NAFLD.
A multilevel examination of skills‐oriented human resource management and perceived skill utilization during recession: Implications for the well‐being of all workers
Authors: Okay‐Somerville Belgin , Scholarios Dora
Published: October 2018

This article examines whether organizations can enhance employee well‐being by adopting human resource management (HRM) practices strategically targeted to improve skill development and deployment in a recessionary context. Employee skill utilization is proposed as the mediating mechanism between HRM practice and well‐being. The role of workplace skill composition is also examined as a boundary condition within which HRM differentially impacts employee outcomes. Using a nationally representative survey of UK workplaces (Workplace Employment Relations Survey 2011) and matched management and employee data, the analysis focused on organizations that had implemented some recessionary action following the 2008–2009 global financial and economic crisis. The findings show that human capital enhancing HRM and enriched job design positively influenced both job satisfaction and work‐related affective well‐being through increased employee skill utilization. Organizations with predominantly high‐skilled workforces were more likely to adopt these skills‐oriented HRM practices. Nevertheless, the effects of HRM on employee outcomes via skill utilization applied across organizations, regardless of workforce skill composition. The findings demonstrate employee skill utilization as a driver of HRM outcomes and the sustainability of “best practice” HRM arguments across all skill levels, even in the face of recession.
Energy balance and snowmelt drivers of a marginal subalpine snowpack
Authors: Bilish Shane P. , McGowan Hamish A. , Callow John Nikolaus
Published: October 2018

Snowmelt from the seasonal snowpack in the Australian Alps is a significant source of water for irrigated agriculture, electricity generation, and environmental flows in the Murray–Darling Basin. Previous studies have reported negative decadal to multidecadal trends in maximum snow depth, snow season duration, and snow‐covered area. Here, we characterise the energy balance of this marginal maritime snowpack for the first time. Turbulent fluxes measured using the eddy covariance and bulk aerodynamic methods are compared; discrepancies are attributed to the differing assumptions of the methods and characteristics of the measurement site. We examine the variability of the individual energy balance components and the drivers of snowmelt, and we find that incoming longwave radiation is the dominant control on snowmelt, providing more than 80% of the total energy to the snowpack over the season. During a midwinter rain‐on‐snow event, the advected rain heat flux provided 8% of the daily total, with the incoming longwave flux still accounting for almost 80%. The ground heat flux contributes a small proportion of the seasonal total but increases in patchy or intermittent snow cover. Comparing these results with those of studies in other maritime locations, we find that the turbulent fluxes are likely to make a proportionally higher contribution to the energy balance due to the short Australian snow season, underpinning the sensitivity of this environment to climate variability and change. These results extend the limited body of knowledge on highly marginal snowpacks and may be relevant to other regions with no direct measurements of the energy balance.
Coordination‐Driven Self‐Assembly of Functionalized Supramolecular Metallacycles: Highlighted Research during 2010–2018
Authors: Hu Yi‐Xiong , Zhang Xiangyi , Xu Lin , Yang Hai‐Bo
Published: October 2018

During the past few decades, the construction of macrocyclic molecules/complexes has attracted considerable attention because of their wide applications in sensing, catalysis, molecular machine, drug delivery, etc. Coordination‐driven self‐assembly has proven to be a simple yet highly efficient approach for the preparation of various supramolecular metallacycles with the predetermined shapes and sizes as well as the distribution and total number of functional groups. Since the significant progress has been made during the last few years in the field of coordination‐driven self‐assembly, it is time to summarize the recent development in coordination‐driven self‐assembly of functionalized supramolecular metallacycles. In this review, we will highlight some recent advances concerning the preparation of functionalized supramolecular metallacycles via coordination‐driven self‐assembly between the year 2010–2018. In addition, the properties and the applications of these metallacycles in the areas of photo‐ and electrochemistry, sensing, supramolecular gel, biological applications, etc. will be also discussed.
The imbalance of Th17/Treg axis involved in the pathogenesis of preeclampsia
Authors: Eghbal‐Fard Shadi , Yousefi Mehdi , Heydarlou Hanieh , Ahmadi Majid , Taghavi Simin , Movasaghpour Aliakbar , Jadidi‐Niaragh Farhad , Yousefi Bahman , Dolati Sanam , Hojjat‐Farsangi Mohammad , Rikhtegar Reza , Nouri Mohammad , Aghebati‐Maleki Leili
Published: October 2018

Problem

Inappropriate activation of the immune system, particularly the imbalance of T‐helper type 17 (Th17)/regulatory T (Treg) cells is thought to play considerable roles in preeclampsia (PE). To investigate the probable effects of the adaptive immune system in the pathophysiology of PE, we analyzed the dynamic changes of Th17/Treg cells, cytokines profile, and transcription pattern of Th17/Treg‐related genes and microRNAs (miRNAs) in 50 women suffering from PE in comparison with 50 healthy pregnant women.

Methods

Expressions of cytokines, specific transcription factors, and related miRNAs were measured by real‐time polymerase chain reaction (PCR). Enzyme‐linked immunosorbent assay (ELISA) was used to test the interleukin (IL)‐17, IL‐23, IL‐6, and IL‐10 and transforming growth factor β in serum and supernatant of peripheral blood mononuclear cells (PBMCs). The frequency of Th17 and Treg cells were determined by flow cytometry.

Results

PE patients exhibited a decreased number of Treg cells (p = 0.006), while Th17 cells were increased (
p = 0.004). Forkhead box P3 and
IL‐10 mRNA expressions were reduced (
p = 0.0001 and 0.0028, respectively), while expressions of retinoic acid receptor‐related orphan nuclear receptor γt, IL‐17, IL‐23, and IL‐6 were enhanced (
p < 0.0001, 0.0018, 0.0014, and 0.027, respectively). ELISA results also showed increased levels of IL‐6, IL‐17, and IL‐23 (
p = 0.022, 0.0005, 0.0081, respectively), and decreased levels of IL‐10 in the supernatant of PBMCs of PE patients compared with control group (
p = 0.0011). There was significant upregulation of miR‐106b and miR‐326 (
p = 0.0048 and 0.028, respectively) in PE patients in comparison with the control group.

Conclusions

These findings suggest that imbalance of Th17/Treg cells, regulated possibly via microRNAs, may be involved in the pathogenesis of PE, emphasizing on the importance of these cells in feto‐maternal immune cross‐talk.
Histopathological impairment of common carp (Cyprinus carpio) induced through povidone‐iodine exposure
Authors: Hedayati Aliakbar , Darabitabar Fateme , Bagheri Toktam , Hedayati ElaheSadat , Van Doan Hien
Published: October 2018

Histological biomarkers are one of the most advantageous tools in monitoring toxicological studies under experimental condition in laboratory. Since disinfectants are extensively inflowing into aquatic ecosystems, this study conducted on common carp to examine the effect of betadine solution on the liver and gill tissue. A 120‐carp were kept for 2 weeks in the 100‐l aquarium Different concentrations of povidone‐iodine (betadine) prepared in three replications and a control group was prepared with no betadine (0, 5, 7, 8, and 9 ppm). Most lesions observed at gill tissue include adhesion secondary lamella, bleeding, destruction of secondary lamellae, hyperplasia secondary blades, curvature second blade, destroying the primary lamellae. Whats more, most lesions observed in liver tissue include bleeding, ascites liver, destruction of liver cells, bile stagnation. Betadine solution, could cause damage to the liver and gills tissues, although gill lesions were more evident than liver. Also increase of concentration led to elevation at lesions of both organs. Overally, the results revealed that using povidon‐iodine as a disinfectant materials and entering into rivers and aquatic ecosystems could have undesirable effects and even death of this fish. Disinfectants, either in low or high concentration, could be very lethal for fish. However the defects seen in this study also could affect osmoregulation and metabolism as two main functions of gill and liver.