bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Stereochemically Driven Supramolecular Polymerisation
Authors: Tasca Elisamaria , D'Abramo Marco , Galantini Luciano , Giuliani Anna Maria , Pavel Nicolae Viorel , Palazzo Gerardo , Giustini Mauro 
Published: March 2018

AbstractAnthracyclines self‐assemble in water into dimers. In the presence of sufficiently high salt (NaCl) concentrations, solutions of the antibiotic doxorubicin, but not those of the closely related molecules daunomycin and epirubicin, turn into gels barely compatible with the presence of small oligomers. The use of spectroscopic, scattering, imaging and computational techniques, allowed light to be shed on the self‐assembly process that triggered doxorubicin gelification. A complex picture emerged, with doxorubicin molecules assembled into long, highly chiral, supramolecular aggregates made of hundreds of units, showing redshifted fluorescence spectra, very short fluorescence lifetimes and small‐angle X‐ray scattering profiles compatible with long cylinders. The involvement of specific chemical groups and the need for a specific stereochemistry of the monomers in the formation of a hydrogen‐bond network to stabilise the supramolecular aggregates was supported by molecular dynamics calculations. A salt‐induced, temperature‐dependent, cooperative nucleation–elongation supramolecular polymerisation of the doxorubicin molecules is deduced.
Synthesis of Artemisinin‐Derived Dimers, Trimers and Dendrimers: Investigation of Their Antimalarial and Antiviral Activities Including Putative Mechanisms of Action
Authors: Fröhlich Tony , Hahn Friedrich , Belmudes Lucid , Leidenberger Maria , Friedrich Oliver , Kappes Barbara , Couté Yohann , Marschall Manfred , Tsogoeva Svetlana B. 
Published: March 2018

AbstractGeneration of dimers, trimers and dendrimers of bioactive compounds is an approach that has recently been developed for the discovery of new potent drug candidates. Herein, we present the synthesis of new artemisinin‐derived dimers and dendrimers and investigate their action against malaria parasite Plasmodium falciparum 3D7 strain and human cytomegalovirus (HCMV). Dimer 7 was the most active compound (EC50 1.4 nm) in terms of antimalarial efficacy and was even more effective than the standard drugs dihydroartemisinin (EC50 2.4 nm), artesunic acid (EC50 8.9 nm) and chloroquine (EC50 9.8 nm). Trimer 4 stood out as the most active agent against HCMV in vitro replication and exerted an EC50 value of 0.026 μm, representing an even higher activity than the two reference drugs ganciclovir (EC50 2.60 μm) and artesunic acid (EC50 5.41 μm). In addition, artemisinin‐derived dimer 13 and trimer 15 were for the first time both immobilized on TOYOPEARL AF‐Amino‐650M beads and used for mass spectrometry‐based target identification experiments using total lysates of HCMV‐infected primary human fibroblasts. Two major groups of novel target candidates, namely cytoskeletal and mitochondrial proteins were obtained. Two putatively compound‐binding viral proteins, namely major capsid protein (MCP) and envelope glycoprotein pUL132, which are both essential for HCMV replication, were identified.
Water Splitting on Rutile TiO2‐Based Photocatalysts
Authors: Miyoshi Akinobu , Nishioka Shunta , Maeda Kazuhiko 
Published: March 2018

AbstractWater splitting using a semiconductor photocatalyst with sunlight has long been viewed as a potential means of large‐scale H2production from renewable resources. Different from anatase TiO2, rutile enables preferential water oxidation, which is useful for the construction of a Z‐scheme water‐splitting system. The combination of rutile TiO2with a suitable H2‐evolution photocatalyst such as a Pt‐loaded BaZrO3–BaTaO2N solid solution enables solar‐driven water splitting into H2and O2. While rutile TiO2is a wide‐gap semiconductor with a bandgap of 3.0 eV, co‐doping of rutile TiO2with certain metal ions and/or nitrogen produces visible‐light‐driven photocatalysts, which are also useful as a component for water oxidation in visible‐light‐driven Z‐scheme water splitting. The key to achieving highly efficient water oxidation is to maintain a charge balance of dopants in the rutile, because single doping typically produces trap states that capture photogenerated electrons and/or holes. Here we provide a concise summary of rutile TiO2‐based photocatalysts for water‐splitting systems.
Identification of clinically relevant phenotypes in patients with Ebstein anomaly
Authors: Cabrera Rodrigo , Miranda‐Fernández Marta Catalina , Huertas‐Quiñones Victor Manuel , Carreño Marisol , Pineda Ivonne , Restrepo Carlos M. , Silva Claudia Tamar , Quero Rossi , Cano Juan David , Manrique Diana Carolina , Camacho Camila , Tabares Sebastián , García Alberto , Sandoval Néstor , Moreno Medina Karen Julieth , Dennis Verano Rodolfo José 
Published: March 2018

BackgroundEbstein anomaly (EA) is a heterogeneous congenital heart defect (CHD), frequently accompanied by diverse cardiac and extracardiac comorbidities, resulting in a wide range of clinical outcomes.HypothesisPhenotypic characterization of EA patients has the potential to identify variables that influence prognosis and subgroups with distinct contributing factors.MethodsA comprehensive cross‐sectional phenotypic characterization of 147 EA patients from one of the main referral institutions for CHD in Colombia was carried out. The most prevalent comorbidities and distinct subgroups within the patient cohort were identified through cluster analysis.ResultsThe most prevalent cardiac comorbidities identified were atrial septal defect (61%), Wolff‐Parkinson‐White syndrome (WPW; 27%), and right ventricular outflow tract obstruction (25%). Cluster analysis showed that patients can be classified into 2 distinct subgroups with defined phenotypes that determine disease severity and survival. Patients in cluster 1 represented a particularly homogeneous subgroup with a milder spectrum of disease, including only patients with WPW and/or supraventricular tachycardia (SVT). Cluster 2 included patients with more diverse cardiovascular comorbidities.ConclusionsThis study represents one of the largest phenotypic characterizations of EA patients reported. The data show that EA is a heterogeneous disease, very frequently associated with cardiovascular and noncardiovascular comorbidities. Patients with WPW and SVT represent a homogeneous subgroup that presents with a less severe spectrum of disease and better survival when adequately managed. This should be considered when searching for genetic causes of EA and in the clinical setting.
Cardioversion of persistent atrial fibrillation is associated with a 24‐hour relapse gap: Observations from prolonged postcardioversion rhythm monitoring
Authors: Weijs Bob , Limantoro Ione , Delhaas Tammo , de Vos Cees B. , Blaauw Yuri , Houben Richard P. M. , Verheule Sander , Pisters Ronny , Crijns Harry J. G. M. 
Published: March 2018

BackgroundMany recurrences occur after electrical cardioversion (ECV) of atrial fibrillation (AF). Assessment of extent of remodeling and continuous prolonged rhythm monitoring might reveal actionable recurrence mechanisms.HypothesisAfter ECV of AF specific patterns of arrhythmia recurrence can be distinguished.MethodsAll patients who underwent successful ECV due to persistent AF were included. Tissue velocity echocardiography during AF was performed before ECV to study atrial fibrillatory cycle length and fibrillatory velocity. After ECV, the heart rhythm of all patients was monitored 3 times daily during 4 weeks, and timing of recurrence was noted.ResultsIn total, 50 patients (68% male) were included; mean age was 68 ± 9 years. Median duration of the current AF episode was 102 (range, 74–152) days. Twenty‐one (42%) patients showed recurrence of persistent AF. No recurrences occurred during the first 24 hours. There were no differences in clinical characteristics between patients with or without recurrence of AF. However, patients with early recurrence of AF had significantly higher precardioversion wall‐motion velocity compared with patients who remained in sinus rhythm (2.8 [1.6–3.6] vs 1.4 [0.9–3.3] cm/s; P = 0.017), whereas atrial fibrillatory cycle length did not differ.ConclusionsIn this study on 50 patients successfully cardioverted for persistent AF, there was a relapse gap of ≥24 hours. This phenomenon has not been well appreciated before and offers an AF‐free window of opportunity for electrocardiographically triggered cardiac imaging or complex electrophysiological procedures. Echocardiographic tissue velocity imaging may visualize atrial remodeling relevant to AF recurrence.
Steric Hindrance in Sulfur Vacancy of Monolayer MoS2 Boosts Electrochemical Reduction of Carbon Monoxide to Methane
Authors: Chen Zhi Wen , Gao Wang , Zheng Wei Tao , Jiang Qing 
Published: March 2018

AbstractThe efficient generation of methane by total electroreduction of carbon monoxide (CO) could be of benefit for a more sustainable society. However, a highly efficient and selective catalyst for this process remains to be developed. In this study, density functional theory calculations indicate that steric hindrance in monolayer molybdenum sulfide with 2 S vacancies (DV‐MoS2) can facilitate the conversion of CO into CH4 with high activity and selectivity under electrochemical reduction at a low potential of −0.53 V vs. RHE and ambient conditions. The potential is a significant improvement on the state‐of‐the‐art Cu electrode (−0.74 V vs. RHE), with less electrical energy. Moreover, the results suggest that such steric hindrance effects are important for structure‐sensitive catalytic reactions.
An investigation of the monoamine oxidase inhibition properties of pyrrolo[3,4‐f]indole‐5,7‐dione and indole‐5,6‐dicarbonitrile derivatives
Authors: Chirkova Zhanna V. , Kabanova Mariya V. , Filimonov Sergey I. , Abramov Igor G. , Petzer Anél , Engelbrecht Idalet , Petzer Jacobus P. , Yu Suponitsky Kyrill , Veselovsky Alexander V. 
Published: March 2018

Abstract

Hit, Lead & Candidate Discovery

In recent studies, we have shown that pyrrolo[3,4‐f]indole‐5,7‐dione and indole‐5,6‐dicarbonitrile derivatives act as good potency in vitro inhibitors of the monoamine oxidase (MAO) enzymes. To expand on these series and to further derive structure‐activity relationships (SARs) for MAO inhibition, in the present study we synthesized additional homologs and related analogs of these chemical classes. Analyzes of the MAO inhibition properties of the synthesized compounds show that among the pyrrolo[3,4‐f]indole‐5,7‐dione derivatives good potency MAO inhibitors exist as exemplified by 10, which possesses IC50 values for the inhibition of MAO‐A and MAO‐B of 0.023 and 0.178 µM, respectively. Among thirteen pyrrolo[3,4‐f]indole‐5,7‐diones, nine compounds exhibit IC50 values for the inhibition of an MAO isoform in the submicromolar range. It may be concluded that active MAO inhibitors, such as 10 represent suitable leads for the development of drugs for neurodegenerative and neuropsychiatric disorders such as Parkinson's disease and depression. MAO inhibitors are also of interest for the treatment of prostate cancer, certain types of cardiomyopathies and Alzheimer's disease.
Temporally restricted death and the role of p75NTR as a survival receptor in the developing sensory nervous system
Authors: Cheng Irene , Jin Lucy , Rose Lucy C. , Deppmann Christopher D. 
Published: March 2018

ABSTRACTThe peripheral somatosensory system overproduces neurons early in development followed by a period of cell death during final target innervation. The decision to survive or die in somatosensory neurons of the dorsal root ganglion (DRG) is mediated by target‐derived neurotrophic factors and their cognate receptors. Subsets of peripheral somatosensory neurons can be crudely defined by the neurotrophic receptors that they express: peptidergic nociceptors (TrkA+), nonpeptidergic nociceptors (Ret+), mechanoreceptors (Ret+ or TrkB+), and proprioceptors (TrkC+). A direct comparison of early developmental timing between these subsets has not been performed. Here we characterized the accumulation and death of TrkA, B, C, and Ret+ neurons in the DRG as a function of developmental time. We find that TrkB, TrkC, and Ret‐expressing neurons in the DRG complete developmental cell death prior to TrkA‐expressing neurons. Given the broadly defined roles of the neurotrophin receptor p75NTR in augmenting neurotrophic signaling in sensory neurons, we investigated its role in supporting the survival of these distinct subpopulations. We find that TrkA+, TrkB+, and TrkC+ sensory neuron subpopulations require p75NTR for survival, but proliferating progenitors do not. These data demonstrate how diverging sensory neurons undergo successive waves of cell death and how p75NTR represses the magnitude, but not developmental window of this culling. © 2018 Wiley Periodicals, Inc. Develop Neurobiol 78: 701–717, 2018
Investigation of phenylbutazone and its metabolite oxyphenbutazone in horse meat products during years 2013–2017
Authors: Annunziata Loredana , Visciano Pierina , Stramenga Arianna , Colagrande Maria Novella , Campana Guido , Scortichini Giampiero , Migliorati Giacomo , Compagnone Dario 
Published: March 2018

AbstractThis study showed the results of a monitoring program aimed at detecting the fraudulent use of horse meat in samples collected in the framework of official controls during the years 2013–2017 after the so‐called horse meat scandal that caused a decreasing consumer confidence in the food industry, particularly in meat products. A total of 125 samples diversely distributed in the 5 years of monitoring were analyzed by liquid chromatography–tandem mass spectrometry (LC–MS/MS). The method was validated according to Commission Decision 657/2002/EC with regard to the following parameters: linearity, specificity, decision limit (CCα), detection capability (CCβ), recovery, and precision (repeatability and within‐laboratory reproducibility). Even if the results of this study revealed no positive sample, the need for constant assurance of food safety and consumers' health protection requires the implementation of preventive as well as corrective actions in the management of risks linked to the food chain in a more global context.
A novel podoplanin‐GFPCre mouse strain for gene deletion in lymphatic endothelial cells
Authors: Gil Hyea Jin , Ma Wanshu , Oliver Guillermo 
Published: March 2018

AbstractThe lymphatic vascular system is a one‐direction network of thin‐walled capillaries and larger vessels covered by a continuous layer of endothelial cells responsible for maintaining fluid homeostasis. Some of the main functions of the lymphatic vasculature are to drain fluid from the extracellular spaces and return it back to the blood circulation, lipid absorption from the intestinal tract, and transport of immune cells to lymphoid organs. A number of genes controlling the development of the mammalian lymphatic vasculature have been identified in the last few years, and their functional roles started to be characterized using gene inactivation approaches in mice. Unfortunately, only few mouse Cre strains relatively specific for lymphatic endothelial cells (LECs) are currently available. In this article, we report the generation of a novel Podoplanin (Pdpn) GFPCre transgenic mouse strain using its 5’ regulatory region. Pdpn encodes a transmembrane mucin‐type O‐glycoprotein that is expressed on the surface of embryonic and postnatal LECs, in addition to few other cell types. Our detailed characterization of this novel strain indicates that it will be a valuable additional genetic tool for the analysis of gene function in LECs.
Reforming of Coal Gasification Gas by a Packed‐bed Dielectric Barrier Discharge
Authors: HOSOI SHOGO , TAKAHASHI KAZUHIRO , SATOH KOHKI , ITAKURA KEN‐ICHI 
Published: March 2018

SUMMARYAn artificial underground coal gasification (UCG) gas is generated by heating crushed coal, the artificial UCG gas is reformed by a packed‐bed dielectric barrier discharge (PB‐DBD), and then the reforming characteristics of the UCG gas are investigated. H2S, H2, CH4, CO, CO2, N2, and O2, which have been known as typical UCG gas components, are found to be contained in the gas, and alkanes (CnH2n+2), alkenes (CnH2n), and so on are also detected. When the UCG gas containing H2S of 400 ppm is reformed at an input power of 40W and a flow rate of 0.1 L/min, it is found that the decomposition rate and the decomposition efficiency of H2S are approximately 80% and 1.94 mmol/kWh, respectively, and that the production amount of H2 increases by approximately 14−40% and the production efficiency of H2 is 81.4 mmol/kWh. It is also found that the concentration of alkenes decreases obviously, while the concentration of alkanes is not affected significantly by discharge plasma reforming. This indicates that H2 may be produced from alkenes contained in the UCG gas by discharge plasma reforming. This leads that desulfurization and H2 production can be done simultaneously in a single reactor.
Ecological data for western Indian Ocean tuna
Authors: Bodin Nathalie , Chassot Emmanuel , Sardenne Fany , Zudaire Iker , Grande Maitane , Dhurmeea Zahirah , Murua Hilario , Barde Julien 
Published: March 2018

AbstractTuna are marine apex predators that inhabit the tropical and sub‐tropical waters of the Indian Ocean where they support socially and economically important fisheries. Key component of pelagic communities, tuna are bioindicator species of anthropogenic and climate‐induced changes through modifications of the structure and related energy‐flow of food webs and ecosystems. The IndianEcoTuna dataset provides a panel of ecological tracers measured in four soft tissues (white muscle, red muscle, liver, gonads) from 1,364 individuals of four species, i.e., the albacore (ALB, Thunnus alalunga), the bigeye (BET, T.‐obesus), the skipjack (SKJ, Katsuwomus pelamis), and the yellowfin (YFT, T.‐albacares), collected throughout the western Indian Ocean from 2009 to 2015. Sampling was carried out during routine monitoring programs, at sea by observers onboard professional vessels or at landing. For each record, the type of fishing gear, the conservation mode, as well as the fishing date and catch location are provided. Individuals were sampled to span a wide range of body sizes: 565 ALB with fork length from 58 to 118‐cm, 155 BET from 29.5 to 173‐cm, 304 SKJ from 30 to 74‐cm, and 340 YFT from 29 to 171.5‐cm. The IndianEcoTuna dataset combines: (1) 9,512 records of carbon and nitrogen stable isotopes (percent element weights, ‐13C and ‐15N values) in 1,185 fish, (2) 887 concentrations of total proteins in 242 fish, (3) 8,356 concentrations of total lipids and three lipid classes (triacylglycerols TAG; phospholipids PL; sterols ST) in 695 fish, and (4) 1,150 and 1,033 profiles of neutral and polar fatty acids in 397 and 342 fish, respectively. Information on sex and weights of the whole fish, gonads, liver and stomach is provided. Because of the essential trophic role and wide‐ranging of tuna in marine systems, and the large panel of tropho‐energetic tracers and derived‐key quantitative parameters provided (e.g., niche width, trophic position, condition indices), the IndianEcoTuna dataset should be of high interest for global and regional research on marine trophic ecology and food web analysis, as well as on the impacts of anthropogenic changes on Indian Ocean marine ecosystems. There are no copyright restrictions for research and/or teaching purposes. Usage of the dataset must include citation of this Data Paper.
Predicting ecosystem vulnerability to biodiversity loss from community composition
Authors: Heilpern Sebastian A. , Weeks Brian C. , Naeem Shahid 
Published: March 2018

AbstractEcosystems vary widely in their responses to biodiversity change, with some losing function dramatically while others are highly resilient. However, generalizations about how species‐ and community‐level properties determine these divergent ecosystem responses have been elusive because potential sources of variation (e.g., trophic structure, compensation, functional trait diversity) are rarely evaluated in conjunction. Ecosystem vulnerability, or the likely change in ecosystem function following biodiversity change, is influenced by two types of species traits: response traits that determine species’ individual sensitivities to environmental change, and effect traits that determine a species’ contribution to ecosystem function. Here we extend the response‐effect trait framework to quantify ecosystem vulnerability and show how trophic structure, within‐trait variance, and among‐trait covariance affect ecosystem vulnerability by linking extinction order and functional compensation. Using in silico trait‐based simulations we found that ecosystem vulnerability increased when response and effect traits positively covaried, but this increase was attenuated by decreasing trait variance. Contrary to expectations, in these communities, both functional diversity and trophic structure increased ecosystem vulnerability. In contrast, ecosystem functions were resilient when response and effect traits covaried negatively, and variance had a positive effect on resiliency. Our results suggest that although biodiversity loss is often associated with decreases in ecosystem functions, such effects are conditional on trophic structure, and the variation within and covariation among response and effect traits. Taken together, these three factors can predict when ecosystems are poised to lose or gain function with ongoing biodiversity change.
Contrasting drivers and trends of coniferous and deciduous tree growth in interior Alaska
Authors: Cahoon Sean M. P. , Sullivan Patrick F. , Brownlee Annalis H. , Pattison Robert R. , Andersen Hans‐Erik , Legner Kate , Hollingsworth Teresa N. 
Published: March 2018

AbstractThe boreal biome represents approximately one third of the world's forested area and plays an important role in global biogeochemical and energy cycles. Numerous studies in boreal Alaska have concluded that growth of black and white spruce is declining as a result of temperature‐induced drought stress. The combined evidence of declining spruce growth and changes in the fire regime that favor establishment of deciduous tree species has led some investigators to suggest the region may be transitioning from dominance by spruce to dominance by deciduous forests and/or grasslands. Although spruce growth trends have been extensively investigated, few studies have evaluated long‐term radial growth trends of the dominant deciduous species (Alaska paper birch and trembling aspen) and their sensitivity to moisture availability. We used a large and spatially extensive sample of tree cores from interior Alaska to compare long‐term growth trends among contrasting tree species (white and black spruce vs. birch and aspen). All species showed a growth peak in the mid‐1940s, although growth following the peak varied strongly across species. Following an initial decline from the peak, growth of white spruce showed little evidence of a trend, while black spruce and birch growth showed slight growth declines from ~1970 to present. Aspen growth was much more variable than the other species and showed a steep decline from ~1970 to present. Growth of birch, black and white spruce was sensitive to moisture availability throughout most of the tree‐ring chronologies, as evidenced by negative correlations with air temperature and positive correlations with precipitation. However, a positive correlation between previous July precipitation and aspen growth disappeared in recent decades, corresponding with a rise in the population of the aspen leaf miner (Phyllocnistis populiella), an herbivorous moth, which may have driven growth to a level not seen since the early 20th century. Our results provide important historical context for recent growth and raise questions regarding competitive interactions among the dominant tree species and exchanges of carbon and energy in the warming climate of interior Alaska.