bluuebunny/crossref_metadata_2025_split huggingface dataset:
Urinary metabolomics analysis reveals the effect of volatile oil from Angelica sinensis on LPS‐induced inflammation rats
Authors: Hua Yong‐li , Ma Qi , Zhang Xiao‐song , Yao Wan‐ling , Ji Peng , Hu Jun‐jie , Wei Yan‐ming 
Published: September 2018

AbstractLipopolysaccharide (LPS)‐induced inflammation occurs commonly and volatile oil from Angelica sinensis (VOAS) can be used as an anti‐inflammatory agent. The molecular mechanisms that allow the anti‐inflammatory factors to be expressed are still unknown. In this paper, we applied gas chromatography–mass spectrometry (GC–MS) and high‐performance liquid chromatography–time‐of‐flight mass spectrometry (LC‐Q/TOF–MS) based on a metabolomics platform coupled with a network approach to analyze urine samples in three groups of rats: one with LPS‐induced inflammation (MI); one with intervention with VOAS; and normal controls (NC). Our study found definite metabolic footprints of inflammation and showed that all three groups of rats, MI, intervention with VOAS and NC have distinct metabolic profiles in urine. The concentrations of 48 metabolites differed significantly among the three groups. The metabolites in urine were screened by the GC–MS and LC‐Q/TOF–MS methods. The significantly changed metabolites (p < 0.05, variable importance in projection > 1.5) between MI, NC and VOAS were included in the metabolic networks. Finally, hub metabolites were screened, including glycine, arachidonic acid, l‐glutamate, pyruvate and succinate, which have high values of degree (k). the Results suggest that disorders of glycine, arachidonic acid, l‐glutamate, pyruvate and succinate metabolism might play an important part in the predisposition and development of LPS‐induced inflammation. By applying metabolomics with network methods, the mechanisms of diseases are clearly elucidated.
Epicuticular Waxes Provide Insights into Phytochemical Differentiation of Natural Populations ofPinus mugoTurrasensu stricto
Authors: Mitić Zorica S. , Nikolić Jelena S. , Zlatković Bojan K. , Milanovici Sretco J. , Jovanović Snežana Č. , Nikolić Biljana M. , Stojanović Gordana S. , Marin Petar D. 
Published: September 2018

AbstractPhytochemical diversity and differentiation of nine native populations ofPinus mugosensu stricto from Julian Alps, Southern Carpathians and Balkan Peninsula were analyzed in regard to their epicuticular wax compounds. GC/MS and GC‐FID analyses of the hexane extracts of needle samples, collected from 118 individuals ofP. mugo, revealed the presence of six diterpenes, three primary alcohols and 10n‐alkanes ranging from C19to C29(exceptn‐alkane C21). According to simple linear regression, the contents of epicuticular wax compounds showed generally weak correlations with tested bioclimatic, orographic and geographic parameters, leading to assumption about their genetic conditioning. The multivariate statistical analyses suggested the existence of two chemical entities: the Alpine and the South Carpathian, while the Balkan populations appeared heterogeneous as three of them belonged to the Alpine and one to the South Carpathian group. The obtained results are largely consistent to those previously published in reference to morpho‐anatomical and molecular characters ofP. mugo, supporting the hypothesis of colonization of Balkan Peninsula from two different glacial refugia: from the Alps (across the Dinarides) and from the Southern Carpathians. Extending this study to the entire range ofP. mugocomplex should provide a clearer picture of its phytochemical diversity and differentiation.
Reaction Pathways in Acrolein Oxidation over a Mixed‐Oxide Catalyst
Authors: Miller Jacob H. , Bhan Aditya 
Published: September 2018

AbstractA reaction network detailing the mechanistic origins of 17 C1−C7 byproducts in acrolein oxidation over a vanadium molybdate mixed oxide catalyst doped with antimony and copper is proposed based on measurements of acrolein oxidation rates with co‐feeds of C1−C7 organics formed as byproducts, acrylic acid 13C isotopic tracer experiments, and probe molecule reactions. C1 and C2 products form via C−C bond scission of either the single or double C−C bond in acrolein and acrylic acid. C4−C7 products form by addition of one or two acrolein or acrylic acid molecules to a C2 surface species coupled with decarbonylation or decarboxylation events. Two‐carbon ethyl and vinyl surface species and three‐carbon acrolein‐derived surface species are involved in all pathways that lead to byproduct formation; controlling the relative abundance and reactivity of such intermediates is integral to prescribing process conditions and material compositions for selective oxidation of acrolein.
Smart Tandem Catalyst Developed with Sundew's Predation Strategy, Capable of Catching, Decomposing and Assimilating Preys
Authors: Xiao Panpan , Wu Shuping , Shen Xiaojuan , Zhu Maiyong , Li Songjun 
Published: September 2018

AbstractThis study is aimed at the present challenge in tandem catalysts, addressing how to endow the catalysts with self‐controlled tandem catalytic‐ability. By borrowing the predation strategy from sundew, the objective was originally met by reporting a smart tandem catalyst which can self‐control the tandem catalytic behavior by catching, decomposing and assimilating the engaging molecules (such as 4‐nitrophenyl acetate). This catalyst was made of a unique leaf containing two functional layers where each may be responsible for one coupled process. The first layer in this catalyst was fabricated with a zipper‐like reactive polymer capable of opening and closing, which allowed the catalyst to catch and decompose 4‐nitrophenyl acetate. The second layer in this catalyst allowed, however, further access to assimilate the decomposed substrate (i. e., 4‐nitrophenol), made of an antibody‐like polymer and encapsulated metal nanoparticles. In this way, the use of this catalyst led to the occurrence of the self‐controlled tandem catalytic‐ability. This novel design suggests a new protocol for developing smart tandem catalysts, which opens new opportunities for controlled tandem catalytic processes.
Dual‐Mode, Anisotropy‐Encoded, Ratiometric Fluorescent Nanosensors: Towards Multiplexed Detection
Authors: Rampazzo Enrico , Bonacchi Sara , Juris Riccardo , Genovese Damiano , Prodi Luca , Zaccheroni Nelsi , Montalti Marco 
Published: September 2018

AbstractA nanosensor with dual‐mode fluorescence response to pH and an encoded identification signal, was developed by exploiting excitation energy transfer and tailored control of molecular organization in core–shell nanoparticles. Multiple signals were acquired in a simple single‐excitation dual‐emission channels set‐up.
A Lasso‐Inspired Bicyclic Peptide: Synthesis, Structure and Properties
Authors: Martin‐Gómez Helena , Albericio Fernando , Tulla‐Puche Judit 
Published: September 2018

AbstractThe chemical synthesis of a bicycle inspired by the natural lasso peptide sungsanpin using a combination of solid‐phase and in‐solution chemistries is described. The bicyclic‐derived topoisomer was designed by introducing a covalent linkage between the ring and the loop, which allowed the tying of these two parts of the peptide, rendering the bicyclic structure. Several structural techniques, such as MS fragmentation, ion‐mobility and NMR spectroscopic analysis were used to characterize the bicycle. Ion‐mobility spectroscopy studies revealed that it showed lasso‐like behavior. Its 3D structure was predicted on the basis of the NMR restraints. In addition, the high proteolytic and thermal stability of the bicycle potentially make it a suitable scaffold for epitope grafting.
Influence of the Lewis Acid/Base Pairs on the Reactivity of Geminal E‐CH2‐E′ Frustrated Lewis Pairs
Authors: Cabrera‐Trujillo Jorge Juan , Fernández Israel 
Published: September 2018

AbstractThe influence of the nature of the acid/base pairs on the reactivity of geminal frustrated Lewis pairs (FLPs) (Me2E‐CH2‐E′Ph2) has been computationally explored within the density functional theory framework. To this end, the dihydrogen‐activation reaction, one of the most representative processes in the chemistry of FLPs, has been selected. It is found that the activation barrier of this transformation as well as the geometry of the corresponding transition states strongly depend on the nature of the E/E′ atoms (E=Group 15 element, E′=Group 13 element) in the sense that lower barriers are associated with earlier transition states. Our calculations identify the geminal N/Al FLP as the most active system for the activation of dihydrogen. Moreover, the barrier height can be further reduced by replacing the phenyl group attached to the acidic atom by C6F5 or 3,5‐(CF3)2C6H3 (Fxyl) groups. The physical factors controlling the computed reactivity trends are quantitatively described in detail by means of the activation strain model of reactivity combined with the energy decomposition analysis method.
Surface‐Active Fluorinated Quantum Dots for Enhanced Cellular Uptake
Authors: Argudo Pablo G. , Carril Mónica , Martín‐Romero María T. , Giner‐Casares Juan J. , Carrillo‐Carrión Carolina 
Published: September 2018

AbstractFluorescent nanoparticles, such as quantum dots, hold great potential for biomedical applications, mainly sensing and bioimaging. However, the inefficient cell uptake of some nanoparticles hampers their application in clinical practice. Here, the effect of the modification of the quantum dot surface with fluorinated ligands to increase their surface activity and, thus, enhance their cellular uptake was explored.
Regional vesicular acetylcholine transporter distribution in human brain: A [18F]fluoroethoxybenzovesamicol positron emission tomography study
Authors: Albin Roger L. , Bohnen Nicolaas I. , Muller Martijn L. T. M. , Dauer William T. , Sarter Martin , Frey Kirk A. , Koeppe Robert A. 
Published: September 2018

AbstractPrior efforts to image cholinergic projections in human brain in vivo had significant technical limitations. We used the vesicular acetylcholine transporter (VAChT) ligand [18F]fluoroethoxybenzovesamicol ([18F]FEOBV) and positron emission tomography to determine the regional distribution of VAChT binding sites in normal human brain. We studied 29 subjects (mean age 47 [range 20–81] years; 18 men; 11 women). [18F]FEOBV binding was highest in striatum, intermediate in the amygdala, hippocampal formation, thalamus, rostral brainstem, some cerebellar regions, and lower in other regions. Neocortical [18F]FEOBV binding was inhomogeneous with relatively high binding in insula, BA24, BA25, BA27, BA28, BA34, BA35, pericentral cortex, and lowest in BA17–19. Thalamic [18F]FEOBV binding was inhomogeneous with greatest binding in the lateral geniculate nuclei and relatively high binding in medial and posterior thalamus. Cerebellar cortical [18F]FEOBV binding was high in vermis and flocculus, and lower in the lateral cortices. Brainstem [18F]FEOBV binding was most prominent at the mesopontine junction, likely associated with the pedunculopontine–laterodorsal tegmental complex. Significant [18F]FEOBV binding was present throughout the brainstem. Some regions, including the striatum, primary sensorimotor cortex, and anterior cingulate cortex exhibited age‐related decreases in [18F]FEOBV binding. These results are consistent with prior studies of cholinergic projections in other species and prior postmortem human studies. There is a distinctive pattern of human neocortical VChAT expression. The patterns of thalamic and cerebellar cortical cholinergic terminal distribution are likely unique to humans. Normal aging is associated with regionally specific reductions in [18F]FEOBV binding in some cortical regions and the striatum.
Available active power of the N‐port AC Thévenin source: A simple behavioral derivation
Authors: Sommariva Antonino M. 
Published: September 2018

SummaryThe available active power of a circuit component under AC operation is defined from the behavioral point of view. Then, the complete investigation of the N‐port AC Thévenin source is carried out using the simplest tools of linear algebra. Finally, the diagrams (normalized active power delivered and efficiency vs normalized current) pertaining to the one‐port AC Thévenin source with finite available active power are presented, in case of both real and complex parameters values.
Design, synthesis, and antifungal activity of novel cinnamon–pyrazole carboxamide derivatives
Authors: Ren Zi‐Li , Liu Hao , Jiao Di , Hu Hao‐Tian , Wang Wei , Gong Jie‐Xiu , Wang Ai‐Li , Cao Hai‐Qun , Lv Xian‐Hai 
Published: September 2018

AbstractHit, Lead & Candidate DiscoveryTo discover succinate dehydrogenase inhibitors with a novel structure, we introduced cinnamic acid structure to optimize the lead structure1and synthesized four series of cinnamon–pyrazole carboxamide derivatives. The bioassay data showed that compounds (E)‐N‐(1‐[4‐chlorophenyl]‐4‐cyano‐1H‐pyrazol‐5‐yl)‐3‐(2‐fluorophenyl) acrylamide (5III‐d)and (E)‐3‐(2‐chlorophenyl)‐N‐(1‐[4‐chlorophenyl]‐4‐cyano‐1H‐pyrazol‐5‐yl) acrylamide (5III‐f)showed the significant antifungal activity against three fungi. In addition,5III‐dand5III‐fexhibited the excellent inhibitory effect against succinate dehydrogenase (SDH) enzymes with IC50values ranging from 19.4 to 28.7 μM. The study demonstrates that the chlorine substituent group is present on both the phenyl and pyrazole rings that have a very good effect on the antifungal effect, and the compounds5III‐dand5III‐fcan act as potential SDH inhibitors (SDHI) and throw a sprat for a new generation of SDHI.
DAR (diversity–area relationship): Extending classic SAR (species–area relationship) for biodiversity and biogeography analyses
Authors: Ma Zhanshan (Sam) 
Published: September 2018

AbstractI extend the classic SAR, which has achieved status of ecological law and plays a critical role in global biodiversity and biogeography analyses, to general DAR (diversity–area relationship). The extension was aimed to remedy a serious application limitation of the traditional SAR that only addressed one aspect of biodiversity scaling—species richness scaling over space, but ignoring species abundance information. The extension was further inspired by a recent consensus that Hill numbers offer the most appropriate measures for alpha‐diversity and multiplicative beta‐diversity. In particular, Hill numbers are essentially a series of Renyi's entropy values weighted differently along the rare‐common‐dominant spectrum of species abundance distribution and are in the units of effective number of species (or species equivalents such as OTUs). I therefore postulate that Hill numbers should follow the same or similar law of the traditional SAR. I test the postulation with the American gut microbiome project (AGP) dataset of 1,473 healthy North American individuals. I further propose three new concepts and develop their statistical estimation formulae based on the new DAR extension, including: (i) DAR profile—z–q relationship (DAR scaling parameter z at different diversity order q), (ii) PDO (pair‐wise diversity overlap) profile—g–q relationship (PDO parameter g at order q, and (iii) MAD (maximal accrual diversity: Dmax) profile—Dmax‐q. While the classic SAR is a special case of our new DAR profile, the PDO and MAD profiles offer novel tools for analyzing biodiversity (including alpha‐diversity and beta‐diversity) and biogeography over space.
Development of a PCR‐RFLP assay to identify Drosophila melanogaster among field‐collected larvae
Authors: Raquin Vincent , Henri Hélène , Vallat Marine , Leulier François , Gibert Patricia , Kremer Natacha 
Published: September 2018

AbstractThe fruit fly Drosophila melanogaster is a model organism to study several aspects of metazoan biology. Most of the work has been conducted in adult fruit flies, including laboratory and field‐derived specimens, but Drosophila melanogaster larvae recently became a valuable model to better understand animal physiology, development, or host–microbe interactions. While adult flies can be easily assigned to a given Drosophila species based on morphological characteristics, such visual identification is more intricate at the larval stage. This could explain the limited number of studies focusing on larvae, especially field‐derived samples. Here, we developed a polymerase chain reaction‐restriction fragment length polymorphism (PCR‐RFLP) assay that discriminates D. melanogaster from other ecologically relevant Drosophila species at the larval stage. The method, which targets the cytochrome oxidase I (COI) gene, was validated using laboratory‐derived larvae from seven D. melanogaster populations originating from different geographic areas as well as six Drosophila species. We further validated this PCR‐RFLP assay in a natural context, by identifying wild larvae collected in two locations in France. Notably, among all PCR‐RFLP profiles that matched the D. melanogaster species, 100% were correctly identified, as confirmed by COI sequencing. In summary, our work provides a rapid, simple, and accurate molecular tool to identify D. melanogaster from field‐collected larvae.
The roles of extrinsic and intrinsic factors in the freshwater life‐history dynamics of a migratory salmonid
Authors: Bailey Colin J. , Braun Douglas C. , McCubbing Donald , Reynolds John D. , Ward Bruce , Davies Trevor D. , Moore Jonathan W. 
Published: September 2018

AbstractKey life‐cycle transitions, such as metamorphosis or migration, can be altered by a variety of external factors, such as climate variation, strong species interactions, and management intervention, or modulated by density dependence. Given that these life‐history transitions can influence population dynamics, understanding the simultaneous effects of intrinsic and extrinsic controls on life‐history expression is particularly relevant for species of management or conservation importance. Here, we examined how life histories of steelhead (Oncorhynchus mykiss) are affected by weather, pink salmon abundance (Oncorhynchus gorbuscha), experimental nutrient addition, and density‐dependent processes. We tested for impacts on the size of steelhead smolts (juveniles migrating to the sea), as well as their age and abundance across four decades in the Keogh River, British Columbia, Canada. Larger steelhead smolts were associated with warmer years and artificial nutrient addition. In addition, higher pink salmon abundance and artificial nutrient addition correlated with juvenile steelhead migrating at younger ages. While density dependence appeared to be the primary factor regulating the abundance of steelhead smolts, nutrient addition and temperature were positively and negatively associated with smolt production, respectively, prior to 1991, and pink salmon spawning abundance was positively associated with smolt production after 1990. Thus, this study provides evidence that the temporal dynamics of one species of salmon is linked to the juvenile life history of co‐occurring steelhead. A complex interplay of species interactions, nutrient subsidies, density dependence, and climatic variation can control the life‐history expression of species with complex life cycles.
Impact of exercise‐based cardiac rehabilitation in patients with heart failure (ExTraMATCH II) on mortality and hospitalisation: an individual patient data meta‐analysis of randomised trials
Authors: Taylor Rod S. , Walker Sarah , Smart Neil A. , Piepoli Massimo F. , Warren Fiona C. , Ciani Oriana , O'Connor Christopher , Whellan David , Keteyian Steven J. , Coats Andrew , Davos Constantinos H. , Dalal Hasnain M. , Dracup Kathleen , Evangelista Lorraine , Jolly Kate , Myers Jonathan , McKelvie Robert S. , Nilsson Birgitta B. , Passino Claudio , Witham Miles D. , Yeh Gloria Y. , Zwisler Ann‐Dorthe O. ,   on behalf of the ExTraMATCH II Collaboration
Published: September 2018

AimsTo undertake an individual patient data (IPD) meta‐analysis to assess the impact of exercise‐based cardiac rehabilitation (ExCR) in patients with heart failure (HF) on mortality and hospitalisation, and differential effects of ExCR according to patient characteristics: age, sex, ethnicity, New York Heart Association functional class, ischaemic aetiology, ejection fraction, and exercise capacity.Methods and resultsRandomised trials of exercise training for at least 3 weeks compared with no exercise control with 6‐month follow‐up or longer, providing IPD time to event on mortality or hospitalisation (all‐cause or HF‐specific). IPD were combined into a single dataset. We used Cox proportional hazards models to investigate the effect of ExCR and the interactions between ExCR and participant characteristics. We used both two‐stage random effects and one‐stage fixed effect models. IPD were obtained from 18 trials including 3912 patients with HF with reduced ejection fraction. Compared to control, there was no statistically significant difference in pooled time to event estimates in favour of ExCR although confidence intervals (CIs) were wide [all‐cause mortality: hazard ratio (HR) 0.83, 95% CI 0.67–1.04; HF‐specific mortality: HR 0.84, 95% CI 0.49–1.46; all‐cause hospitalisation: HR 0.90, 95% CI 0.76–1.06; and HF‐specific hospitalisation: HR 0.98, 95% CI 0.72–1.35]. No strong evidence was found of differential intervention effects across patient characteristics.ConclusionExercise‐based cardiac rehabilitation did not have a significant effect on the risk of mortality and hospitalisation in HF with reduced ejection fraction. However, uncertainty around effect estimates precludes drawing definitive conclusions.
On hybrid electroosmotic kinetics for field‐effect‐reconfigurable nanoparticle trapping in a four‐terminal spiral microelectrode array
Authors: Ren Yukun , Song Chunlei , Liu Weiyu , Jiang Tianyi , Song Jingni , Wu Qisheng , Jiang Hongyuan 
Published: September 2018

AbstractInduced‐charge electroosmosis (ICEO) has attracted tremendous popularity for driving fluid motion from the microfluidic community since the last decade, while less attention has been paid to ICEO‐based nanoparticle manipulation. We propose herein a unique concept of hybrid electroosmotic kinetics (HEK) in terms of bi‐phase ICEO (BICEO) actuated in a four‐terminal spiral electrode array, for effective electrokinetic enrichment of fluorescent polystyrene nanoparticles on ideally polarizable metal strips. First, by alternating the applied AC voltage waves between consecutive discrete terminals, the flow stagnation lines where the sample nanoparticles aggregate can be switched in time between two different distribution modes. Second, we innovatively introduce the idea of AC field‐effect flow control on BICEO; by altering the combination of gating voltage sequence, not only the number of circulative particle trapping lines is doubled, but the collecting locations can be flexibly reconfigured as well. Third, hydrodynamic streaming of DC‐biased BICEO is tested in our device design, wherein the global linear electroosmosis dominates BICEO contributed from both AC and DC components, resulting in a reduction of particle enrichment area, while with a sharp increase in sample transport speed inside the bulk phase. The flow field associated with HEK is predicted using a linear asymptotic analysis under Debye–Huckel limit, with the simulation results in qualitative agreement with in‐lab observations of nanoparticle trapping by exploiting a series of improved ICEO techniques. This work provides an affordable and field‐deployable platform for real‐time nanoparticle trapping in the context of dilute electrolyte.