bluuebunny/crossref_metadata_2025_split huggingface dataset:
Development of Small‐Molecule Trypanosoma brucei N‐Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode
Authors: Spinks Daniel , Smith Victoria , Thompson Stephen , Robinson David A. , Luksch Torsten , Smith Alasdair , Torrie Leah S. , McElroy Stuart , Stojanovski Laste , Norval Suzanne , Collie Iain T. , Hallyburton Irene , Rao Bhavya , Brand Stephen , Brenk Ruth , Frearson Julie A. , Read Kevin D. , Wyatt Paul G. , Gilbert Ian H. 
Published: September 2015

AbstractThe enzyme N‐myristoyltransferase (NMT) from Trypanosoma brucei has been validated both chemically and biologically as a potential drug target for human African trypanosomiasis. We previously reported the development of some very potent compounds based around a pyrazole sulfonamide series, derived from a high‐throughput screen. Herein we describe work around thiazolidinone and benzomorpholine scaffolds that were also identified in the screen. An X‐ray crystal structure of the thiazolidinone hit in Leishmania major NMT showed the compound bound in the previously reported active site, utilising a novel binding mode. This provides potential for further optimisation. The benzomorpholinone was also found to bind in a similar region. Using an X‐ray crystallography/structure‐based design approach, the benzomorpholinone series was further optimised, increasing activity against T. brucei NMT by >1000‐fold. A series of trypanocidal compounds were identified with suitable in vitro DMPK properties, including CNS exposure for further development. Further work is required to increase selectivity over the human NMT isoform and activity against T. brucei.
Design of Zeolitic Imidazolate Framework Derived Nitrogen‐Doped Nanoporous Carbons Containing Metal Species for Carbon Dioxide Fixation Reactions
Authors: Toyao Takashi , Fujiwaki Mika , Miyahara Kenta , Kim Tae‐Ho , Horiuchi Yu , Matsuoka Masaya 
Published: September 2015

AbstractVarious N‐doped nanoporous carbons containing metal species were prepared by direct thermal conversion of zeolitic imidazolate frameworks (ZIFs; ZIF‐7, ‐8, ‐9, and ‐67) at different temperatures (600, 800, and 1000 °C). These materials were utilized as bifunctional acid–base catalysts to promote the reaction of CO2 with epoxides to form cyclic carbonates under 0.6 MPa of CO2 at 80 °C. The catalyst generated by thermal conversion of ZIF‐9 at 600 °C (C600‐ZIF‐9) was found to exhibit a higher catalytic activity than the other ZIFs, other conventional catalysts, and other metal–organic framework catalysts. The results of various characterization techniques including elemental analysis, X‐ray diffraction, X‐ray photoelectron spectroscopy, X‐ray absorption spectroscopy, and transmission electron microscopy show that C600‐ZIF‐9 contains partly oxidized Co nanoparticles and N species. Temperature‐programmed desorption measurements by using CO2 and NH3 as probe molecules revealed that C600‐ZIF‐9 has both Lewis acid and Lewis base catalytic sites. Finally, the substrate scope was extended to seven other kinds of epoxides.
Highly Soluble Benzo[ghi]perylenetriimide Derivatives: Stable and Air‐Insensitive Electron Acceptors for Artificial Photosynthesis
Authors: Chen Hung‐Cheng , Hsu Chao‐Ping , Reek Joost N. H. , Williams René M. , Brouwer Albert M. 
Published: September 2015

AbstractA series of new benzo[ghi]perylenetriimide (BPTI) derivatives has been synthesized and characterized. These remarkably soluble BPTI derivatives show strong optical absorption in the range of λ=300–500 nm and have a high triplet‐state energy of 1.67 eV. A cyanophenyl substituent renders BPTI such a strong electron acceptor (Ered=−0.11 V vs. the normal hydrogen electrode) that electron‐trapping reactions with O2 and H2O do not occur. The BPTI radical anion on a fluorine‐doped tin oxide|TiO2 electrode is persistent up to tens of seconds (t1/2=39 s) in air‐saturated buffer solution. As a result of favorable packing, theoretical electron mobilities (10−2∼10−1 cm2 V−1 s−1) are high and similar to the experimental values observed for perylene diimide and C60 derivatives. Our studies show the potential of the cyanophenyl‐modified BPTI compounds as electron acceptors in devices for artificial photosynthesis in water splitting that are also very promising nonfullerene electron‐transport materials for organic solar cells.
Multiple sexual selection pressures drive the rapid evolution of complex morphology in a male secondary genital structure
Authors: Frazee Stephen R. , Masly John P. 
Published: September 2015

AbstractThe genitalia of internally fertilizing taxa represent a striking example of rapid morphological evolution. Although sexual selection can shape variation in genital morphology, it has been difficult to test whether multiple sexual selection pressures combine to drive the rapid evolution of individual genital structures. Here, we test the hypothesis that both pre‐ and postcopulatory sexual selection can act in concert to shape complex structural variation in secondary genital morphology. We genetically modified the size and shape of the posterior lobes of Drosophila melanogaster males and tested the consequences of morphological variation on several reproductive measures. We found that the posterior lobes are necessary for genital coupling and that they are also the targets of multiple postcopulatory processes that shape quantitative variation in morphology, even though these structures make no direct contact with the external female genitalia or internal reproductive organs during mating. We also found that males with smaller and less structurally complex posterior lobes suffer substantial fitness costs in competitive fertilization experiments. Our results show that sexual selection mechanisms can combine to shape the morphology of a single genital structure and that the posterior lobes of D. melanogaster are the targets of multiple postcopulatory selection pressures.
A Monte Carlo approach to estimate the uncertainty in soil CO2 emissions caused by spatial and sample size variability
Authors: Shi Wei‐Yu , Su Li‐Jun , Song Yi , Ma Ming‐Guo , Du Sheng 
Published: September 2015

AbstractThe soil CO2 emission is recognized as one of the largest fluxes in the global carbon cycle. Small errors in its estimation can result in large uncertainties and have important consequences for climate model predictions. Monte Carlo approach is efficient for estimating and reducing spatial scale sampling errors. However, that has not been used in soil CO2 emission studies. Here, soil respiration data from 51 PVC collars were measured within farmland cultivated by maize covering 25 km2 during the growing season. Based on Monte Carlo approach, optimal sample sizes of soil temperature, soil moisture, and soil CO2 emission were determined. And models of soil respiration can be effectively assessed: Soil temperature model is the most effective model to increasing accuracy among three models. The study demonstrated that Monte Carlo approach may improve soil respiration accuracy with limited sample size. That will be valuable for reducing uncertainties of global carbon cycle.
Stabilization of CuII–I Bonds Using 2‐Benzoylpyridine Thiosemicarbazones – Synthesis, Structure, Spectroscopy, Fluo­rescence, and Cyclic Voltammetry
Authors: Indoria Shikha , Lobana Tarlok S. , Singh Deep , Kumari Sangita , Kumari Parveen , Bala Tanu , Kamal Ajar , Jassal Amanpreet K. , García Santos Isabel , Castineiras Alfonso , Jasinski Jerry P. 
Published: September 2015

AbstractThe reactions of copper(I) iodide with N1‐substituted 2‐benzoylpyridine thiosemicarbazones [(C6H5)(C5H4N)C2=N3–N2H–C(=S)–N1HR (R = Me, HLMe; Et, HLEt; Ph, HLPh)] in acetonitrile/dichloromethane mixtures have formed the complexes [Cu2III2(μ4‐N,N,S‐LMe)2] (1), [CuIII(κ3‐N,N,S‐LEt)] (4), and [CuIII(κ3‐N,N,S‐LPh)] (7) through proton‐coupled electron transfer (PCET), and these complexes have rare CuII–I bonds. The above thio ligands with copper(I) bromide and copper(I) chloride also formed similar CuII–Br and CuII–Cl bonds in complexes of stoichiometry [CuIIX(κ3‐N,N,S‐L)] (L = LMe, LEt, LPh, X = Br 2, 5, 8; X = Cl 3, 6, 9) by PCET. All of the complexes have been characterized by elemental analysis, infrared spectroscopy, electronic absorption spectroscopy, ESR spectroscopy, magnetic susceptibility measurements, molecular fluorescence, cyclic voltammetry, and single‐crystal X‐ray crystallography. The thio ligands coordinate as monoanionic N,N,S donors in 1–9. The ESR data support the divalent oxidation state of the metal centers in the complexes, and the ESR parameters follow the trend g∥ > g⟂ > 2 with G values in the range 2–4, which suggests a d ground state for the copper(II) complexes with variable exchange interaction in the solid complexes. The geometry around each copper(II) center is distorted square planar (mononuclear, 2–9) or square pyramidal (dinuclear, 1). The stabilization of copper(II)–iodide bonds as well as the formation of CuII–Br and CuII–Cl bonds from thio ligands and copper(I) halides by a PCET process represents basic research of topical interest.
A Highly Efficient Copper(I)‐Catalyzed Cascade Reaction of o‐Alkenylphenyl Isothiocyanates with Isocyanides Leading to 5H‐Benzo[d]imidazo[5,1‐b][1,3]thiazines
Authors: Hao Wenyan , Huang Jian , Jie Shanshan , Cai Mingzhong 
Published: September 2015

AbstractThe highly efficient copper(I)‐catalyzed cascade reaction of (E)‐3‐(2‐isothiocyanatophenyl)acrylates and (E)‐3‐(2‐isothiocyanatophenyl)acrylonitriles with isocyanides was explored. The method provides an expedient route for the synthesis of 5H‐benzo[d]imidazo[5,1‐b][1,3]thiazines in good to excellent yields by using CuCl (10 mol‐%) as the catalyst and K3PO4 (2.0 equiv.) as the base in THF at 70 °C. The reaction involves [3+2] cycloaddition and subsequent intramolecular C–S bond formation.
Multivalent Molecular Shuttles – Effect of Increasing the Number of Centers in Switchable Catalysts
Authors: Álvarez Celedonio M. , Barbero Héctor , Miguel Daniel 
Published: September 2015

AbstractA family of three molecular shuttles based upon ammonium/triazolinium salt motifs with one, two, and three catalytic centers were prepared along with their corresponding non‐interlocked threads. The switching process for all rotaxanes was tested through an in situ procedure in solution. Furthermore, their organocatalysis of two Michale‐type reactions by iminium activation was tested to check whether the increase of the number of catalytic centers in the same shuttle is a decisive factor to improve their efficiencies compared with those of single‐active‐site organocatalytic shuttles under the same conditions.
Concise Access to 1,2‐Pyrrole‐Annulated Benzazepines through a Brønsted Acid Catalyzed Redox‐Neutral Domino Reaction
Authors: Wang Peng‐Fei , Huang Ya‐Ping , Wen Xiaoan , Sun Hongbin , Xu Qing‐Long 
Published: September 2015

AbstractA Brønsted acid catalyzed redox‐annulated cascade reaction between 2‐arylpyrroles and 2‐(pyrrolidin‐1‐yl)‐, 2‐(piperidin‐1‐yl), or 2‐morpholinobenzaldehydes has been developed. This dehydration/1,5‐hydride shift/cyclization sequence results in the construction of two new C(sp2)–C(sp3) bonds, providing structurally diverse 1,2‐pyrrole‐annulated benzazepines in yields of 25–65 %.
The phenomenology of protest atmosphere: A demonstrator perspective
Authors: van Leeuwen Anouk , van Stekelenburg Jacquelien , Klandermans Bert 
Published: September 2015

AbstractThis paper aims to improve our understanding of demonstrators' atmosphere perceptions, that is, demonstrators' affective state, which is induced by the protest environment. We examined how demonstrators perceive protest atmosphere, why they do so, and whether atmosphere perceptions influence demonstrators' future collective action preparedness. We hypothesized that demonstrators' atmosphere perceptions diverge on a dimension of pleasure, and relate to their grievance (i.e., perceived societal intolerance), group identification, empowerment, and perceived police aggression. A pleasant atmosphere perception was expected to stimulate a demonstrator's future action preparedness. We tested these hypotheses with a mixed‐methods dataset of two Dutch protests, staged by Lesbians, Gays, Bisexuals, and Transgenders and anti‐monarchists. Our analyses revealed that demonstrators' atmosphere perceptions diverge on a dimension of pleasure, and relate to group identification, empowerment, and, for anti‐monarchists, perceived societal intolerance. A pleasant atmosphere perception deters a demonstrator's future action preparedness and also stimulates his or her group identification and empowerment, which, then, stimulate his or her action preparedness. Copyright © 2015 John Wiley & Sons, Ltd.
Employing Methylene Green Coated Carbon Nanotube Electrodes to Enhance NADH Electrocatalysis for Use in an Ethanol Biofuel Cell
Authors: Aquino Neto Sidney , Almeida Thiago S. , Meredith Matthew T. , Minteer Shelley D. , De Andrade Adalgisa R. 
Published: September 2015

AbstractWe prepared and characterized electrocatalysts based on multiwalled carbon nanotubes (MWCNTs) coated with methylene green (MG). These electrocatalysts can regenerate nicotinamide adenine dinucleotide (NAD+), so they are potentially applicable in the field of bioelectronics. NADH oxidation occurs between 0.14±0.002 and 0.16±0.002 V vs. Ag/AgCl. The most efficient bioanode furnishes 88±7 µW cm−2 and 500 µA cm−2 and an open circuit voltage of 590±22 mV. In conclusion, we obtained a reliable and easy‐to‐prepare electrocatalyst that can regenerate NAD+ and may be applicable in biosensors and bioelectronic devices that use a wide range of NAD+‐dependent enzymes.
The Night Eating Syndrome (NES) in Bariatric Surgery Patients
Authors: de Zwaan Martina , Marschollek Michael , Allison Kelly C. 
Published: September 2015

AbstractThe night eating syndrome (NES) has been included into the Diagnostic and Statistical Manual of Mental Disorders 5 as an example of an ‘other‐specified feeding or eating disorder’. The prevalence of NES has found to be higher in obese populations than in the general population and seems to rise with increasing body mass index. Recent studies suggest a prevalence of 2%–20% in bariatric surgery samples. Given that the core feature of this eating disorder may involve a shift in the circadian pattern of eating that disrupts sleep, and not the ingestion of objectively large amounts of food, it is a pattern that can continue after bariatric surgery. Nonetheless, symptoms of NES appear to decrease after weight loss surgery, and there is no evidence that pre‐surgery NES negatively impacts weight loss following surgery. Prospective and longitudinal studies of the course of night eating symptoms are warranted using clear criteria and standardized assessment instruments. Copyright © 2015 John Wiley & Sons, Ltd and Eating Disorders Association.
Continuous ultraviolet irradiation increases the adverse effects of photoreactive nanoparticles on the early development of Oryzias latipes
Authors: Shin Yu-Jin , Nam Sun-Hwa , An Youn-Joo 
Published: September 2015

Abstract

The present study investigated the toxicity of photoreactive nanoparticles (NPs) on the development of Oryzias latipes. Buoyant fish embryos are potentially vulnerable to sunlight-derived ultraviolet (UV) irradiation. Zinc oxide (ZnO) NPs in surface water easily absorb UV irradiation from transmitted solar light. In the present study, O. latipes were exposed to ZnO NPs under irradiation with UV or visible light. The ZnO NPs exhibited considerable toxicity toward embryos and sac fry following UV irradiation, and these toxic effects resulted in increased mortality and abnormalities. The UV irradiation induced more serious effects on embryos than did visible light irradiation, and embryonic exposure resulted in irreversible developmental impairment or death of sac fry. The adverse effects of ZnO NPs may result from Zn ions released from photoreactive ZnO NPs. The present study demonstrates photo-dependent developmental impairment of O. latipes embryos as a result of exposure to ZnO NPs. The results demonstrate that the toxicity of photoreactive ZnO NPs could vary under environmentally relevant UV irradiation. These data could serve as a guide for evaluation of the toxicity of photo-activated NPs in natural surface waters and could be useful for the ecological risk assessment of photoreactive NPs. Environ Toxicol Chem 2016;35:1195–1200. © 2015 SETAC
Neonicotinoid insecticide residues in soil dust and associated parent soil in fields with a history of seed treatment use on crops in southwestern Ontario
Authors: Limay-Rios Victor , Forero Luis Gabriel , Xue Yingen , Smith Jocelyn , Baute Tracey , Schaafsma Arthur 
Published: September 2015

Abstract

Using neonicotinoid insecticides as seed treatments is a common practice in field crop production. Exposure of nontarget organisms to neonicotinoids present in various environmental matrices is debated. In the present study, concentrations of neonicotinoid residues were measured in the top 5 cm of soil and overlying soil surface dust before planting in 25 commercial fields with a history of neonicotinoid seed treatment use in southwestern Ontario in 2013 and 2014 using liquid chromatography–electrospray ionization tandem mass spectrometry. The mean total concentrations were 3.05 ng/g and 47.84 ng/g in 2013 and 5.59 ng/g and 71.17 ng/g in 2014 for parent soil and soil surface dust, respectively. When surface and parent soil residues were compared the mean concentration in surface dust was 15.6-fold and 12.7-fold higher than that in parent soil in 2013 and 2014, respectively. Pooled over years, the surface dust to parent soil ratio was 13.7, with mean concentrations of 4.36 ng/g and 59.86 ng/g for parent soil and surface dust, respectively. The present study's results will contribute important knowledge about the role these residues may play in the overall risk assessment currently under way for the source, transport, and impact of neonicotinoid insecticide residues in a maize ecosystem. Environ Toxicol Chem 2016;35:303–310. © 2015 SETAC
Alteration of starch hydrolyzing enzyme inhibitory properties, antioxidant activities, and phenolic profile of clove buds (Syzygium aromaticum L.) by cooking duration
Authors: Adefegha Stephen A. , Oboh Ganiyu , Oyeleye Sunday I. , Osunmo Kolawole 
Published: September 2015

AbstractThis study assessed the effect of cooking duration on starch hydrolyzing enzyme (α‐amylase and α‐glucosidase) activities, antioxidant (1,1‐diphenyl‐2 picrylhydrazyl [DPPH*], hydroxyl [OH*] radicals scavenging abilities and reducing power) properties, and phenolic profile of clove buds. Clove buds (raw) were cooked for 10 (SC10) and 20 min (SC20) and subsequently, their effects were assessed on enzyme activities, antioxidant properties, and phenolic profile. Inhibition of α‐amylase and α‐glucosidase activities and radicals scavenging abilities were altered by cooking in the trend; raw < SC10 > SC20, with IC50 values ranging from 0.25 to 0.52 mg/mL and 0.10 to 1.50 mg/mL respectively. HPLC phenolic profile of the clove buds revealed significant (P < 0.05) changes in the amount of chlorogenic acid, quercitrin, quercetin, and kaempferol at different cooking duration. Thus, cooking duration may alter the phenolic compositions and nutraceutical potentials of clove bud by activation and/or deactivation of redox‐active metabolites.
Polyunsaturated fatty acids and inflammation
Authors: Marion‐Letellier Rachel , Savoye Guillaume , Ghosh Subrata 
Published: September 2015

AbstractInflammation is a protective process for life that aims to restore body homeostasis by targeting the injury and by inducing repair mechanisms. This process can also become excessive and lead to chronic inflammation and organ fibrosis. Polyunsaturated fatty acids play a key role in inflammatory processes and their resolution. Indeed, numerous lipid mediators derived from n‐3 or n‐6 PUFA such as eicosanoids, endocannabinoids, or proresolving lipids are able to target transcription factors to modulate gene expression. One other important action mechanism is by modification of cell membrane composition. The purpose of the present review is to describe the potential mechanisms by which PUFA influence inflammatory processes. To illustrate this purpose, we focused on the interactions between PUFA and intestinal inflammation as an integrative example. © 2015 IUBMB Life, 67(9):659–667, 2015
Differentiation of stem cells into insulin‐producing cells under the influence of nanostructural polyoxometalates
Authors: Bâlici Ştefana , Şuşman Sergiu , Rusu Dan , Nicula Gheorghe Zsolt , Soriţău Olga , Rusu Mariana , Biris Alexandru S. , Matei Horea 
Published: September 2015

AbstractTwo polyoxometalates (POMs) with W were synthesized by a two‐step, self‐assembling method. They were used for stimulation of mesenchymal stem cell differentiation into insulin‐producing cells. The nanocompounds (tris(vanadyl)‐substituted tungsto‐antimonate(III) anions [POM1] and tris‐butyltin‐21‐tungsto‐9‐antimonate(III) anions [POM2]) were characterized by analytical techniques, including ultraviolet‐visible, Fourier transform infrared, nuclear magnetic resonance spectroscopy, and transmission electron microscopy. We found that these polyoxotungstates, with 2–4 nm diameters, did not present toxic effects at the tested concentrations. In vitro, POM1 stimulated differentiation of a greater number of dithizone‐positive cells (also organized in clusters) than the second nanocompound (POM2). Based on our in vitro studies, we have concluded that both the POMs tested had significant biological activity acting as active stimuli for differentiation of stem cells into insulin‐producing cells. Copyright © 2015 John Wiley & Sons, Ltd.
Evolution of gold nanoparticle clusters in living cells studied by sectional dark‐field optical microscopy and chromatic analysis
Authors: Wang Sheng‐Hann , Lee Chia‐Wei , Tseng Fan‐Gang , Liang Kuo‐Kan , Wei Pei‐Kuen 
Published: September 2015

The evolution of gold nanoparticle (Au NP) clusters in living cells are studied by using sectional dark‐field optical microscopy and chromatic analysis approach. During endocytosis, Au NP clusters undergo fantastic color changes, from green to yellow‐orange due to the plasmonic coupling effect. Analysis of brightness/hue values of the dark‐field images helps estimate the numbers of Au NPs in the clusters. The Au NP clusters were further categorized into four groups within the endocytosis. As the results, the late endosomes had increased number of large Au NP clusters with time, while clustered numbers in secondary and tertiary groups were first increased and then decreased due to the fusion and fission of the endocytic vesicles. The time constants and cluster numbers for different groups are fitted by using an integrated rate equation, and show a positive correlation with the size of the Au NP cluster. The efficiency of Au NP uptake is only about 50% for normal cells, while 75% for cancer cells. Compared to normal cells, cancer cells show a larger number in uptake, while faster rate in removal. The propose method helps the kinetic study of endocytosed nanoparticles in physiological conditions.
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