bluuebunny/crossref_metadata_2025_split huggingface dataset:
Aqueous Solutions of Ionic Liquids: Microscopic Assembly
Authors: Vicent‐Luna Jose Manuel , Dubbeldam David , Gómez‐Álvarez Paula , Calero Sofia 
Published: December 2015

AbstractAqueous solutions of ionic liquids are of special interest, due to the distinctive properties of ionic liquids, in particular, their amphiphilic character. A better understanding of the structure–property relationships of such systems is hence desirable. One of the crucial molecular‐level interactions that influences the macroscopic behavior is hydrogen bonding. In this work, we conduct molecular dynamics simulations to investigate the effects of ionic liquids on the hydrogen‐bond network of water in dilute aqueous solutions of ionic liquids with various combinations of cations and anions. Calculations are performed for imidazolium‐based cations with alkyl chains of different lengths and for a variety of anions, namely, [Br]−, [NO3]−, [SCN]−, [BF4]−, [PF6]−, and [Tf2N]−. The structure of water and the water–ionic liquid interactions involved in the formation of a heterogeneous network are analyzed by using radial distribution functions and hydrogen‐bond statistics. To this end, we employ the geometric criterion of the hydrogen‐bond definition and it is shown that the structure of water is sensitive to the amount of ionic liquid and to the anion type. In particular, [SCN]− and [Tf2N]− were found to be the most hydrophilic and hydrophobic anions, respectively. Conversely, the cation chain length did not influence the results.
Meaning in Life in People with Borderline Personality Disorder
Authors: Marco Jose H. , Pérez Sandra , García‐Alandete Joaquin , Moliner Reyes 
Published: December 2015

Low feelings of meaning in life are associated with depression, hopelessness and suicide, substance abuse and emotional dysregulation. The aim of this study is to offer results about the importance of the construct meaning in life in the psychopathology of BPD. In study 1, the sample was made up of 223 participants, 141 participants with BPD and 82 participants with another mental disorder but without BPD. In study 2, the sample was made up of 80 participants with BPD. Study 1 indicated that the participants with BPD had a lower feeling of meaning in life than the participants with mental disorders but without a BPD. Study 2 indicated that meaning in life was highly negatively correlated with the symptoms of BPD. The model composed of emotional dysregulation, and meaning in life was significantly associated with BPD psychopathology. The present study supports the association between meaning in life with the psychopathology of BPD. Copyright © 2015 John Wiley & Sons, Ltd.Key Practitioner Message

The results of this study suggest that meaning in life is a relevant variable in the psychopathology of BPD
The results of this study suggest that meaning in life is associated with non‐suicide self injuries
This study suggests that current therapies for BPD should focus on increasing the meaning in life in these patients
European wildcat populations are subdivided into five main biogeographic groups: consequences of Pleistocene climate changes or recent anthropogenic fragmentation?
Authors: Mattucci Federica , Oliveira Rita , Lyons Leslie A. , Alves Paulo C. , Randi Ettore 
Published: December 2015

AbstractExtant populations of the European wildcat are fragmented across the continent, the likely consequence of recent extirpations due to habitat loss and over‐hunting. However, their underlying phylogeographic history has never been reconstructed. For testing the hypothesis that the European wildcat survived the Ice Age fragmented in Mediterranean refuges, we assayed the genetic variation at 31 microsatellites in 668 presumptive European wildcats sampled in 15 European countries. Moreover, to evaluate the extent of subspecies/population divergence and identify eventual wild × domestic cat hybrids, we genotyped 26 African wildcats from Sardinia and North Africa and 294 random‐bred domestic cats. Results of multivariate analyses and Bayesian clustering confirmed that the European wild and the domestic cats (plus the African wildcats) belong to two well‐differentiated clusters (average ФST = 0.159, Rst = 0.392, P > 0.001; Analysis of molecular variance [AMOVA]). We identified from c. 5% to 10% cryptic hybrids in southern and central European populations. In contrast, wild‐living cats in Hungary and Scotland showed deep signatures of genetic admixture and introgression with domestic cats. The European wildcats are subdivided into five main genetic clusters (average ФST = 0.103, Rst = 0.143, P > 0.001; AMOVA) corresponding to five biogeographic groups, respectively, distributed in the Iberian Peninsula, central Europe, central Germany, Italian Peninsula and the island of Sicily, and in north‐eastern Italy and northern Balkan regions (Dinaric Alps). Approximate Bayesian Computation simulations supported late Pleistocene–early Holocene population splittings (from c. 60 k to 10 k years ago), contemporary to the last Ice Age climatic changes. These results provide evidences for wildcat Mediterranean refuges in southwestern Europe, but the evolution history of eastern wildcat populations remains to be clarified. Historical genetic subdivisions suggest conservation strategies aimed at enhancing gene flow through the restoration of ecological corridors within each biogeographic units. Concomitantly, the risk of hybridization with free‐ranging domestic cats along corridor edges should be carefully monitored.
Mycobacterium tuberculosis‐specific CD4+ T‐cell response is increased, and Treg cells decreased, in anthelmintic‐treated patients with latent TB
Authors: Toulza Frederic , Tsang Lillian , Ottenhoff Tom H. M. , Brown Michael , Dockrell Hazel M. 
Published: December 2015

In many settings, adults with active or latent tuberculosis will also be coinfected with helminths. Our study aimed to investigate how anthelmintic treatment modulates antimycobacterial immunity, in a setting where helminth reinfection should not occur. We investigated the potential impact of helminth infection on immune responses to Mycobacterium tuberculosis (Mtb) in patients with latent Mtb infection with or without helminth infection (Strongyloides or Schistosoma), and tested T‐cell responses before and after anthelmintic treatment. The study was performed in migrants resident in the United Kingdom, where reexposure and reinfection following anthelmintic treatment would not occur. The frequency of CD4+IFN‐γ+ T cells was measured following stimulation with Mtb Purified Protein Derivative or ESAT‐6/CFP‐10 antigen, and concentrations of IFN‐γ in culture supernatants measured by ELISA and multiplex bead array. Helminth infection was associated with a lower frequency of CD4+IFN‐γ+ T cells, which increased following treatment. Patients with helminth infection showed a significant increase in CD4+FoxP3+ T cells (Treg) compared to those without helminth infection. There was a decrease in the frequency of Treg cells, and an associated increase in CD4+IFN‐γ+ T cells after the anthelmintic treatment. Here, we show a potential role of Treg cells in reducing the frequency and function of antimycobacterial CD4+IFN‐γ+ T cells, and that these effects are reversed after anthelmintic treatment.
Comparative Synthesis of Cu and Cu2O Nanoparticles from Different Copper Precursors in an Ionic Liquid or Propylene Carbonate
Authors: Marcos Esteban Raquel , Meyer Hajo , Kim Jiyeon , Gemel Christian , Fischer Roland A. , Janiak Christoph 
Published: December 2015

AbstractCopper metal and copper(I) oxide (cuprite, cuprous oxide) nanoparticles (Cu‐NPs and Cu2O‐NPs) were prepared from different readily available copper salts by means of microwave irradiation in propylene carbonate (PC) or in the ionic liquid (IL) 1‐butyl‐3‐methylimidazolium tetrafluoroborate ([BMIm][BF4]) without addition of extra reducing agents. The nanostructures were studied by high‐angle annular dark field‐scanning transmission electron microscopy, TEM, SEM, and powder XRD. Star‐shaped agglomerated Cu‐NPs with about 45 nm diameter were formed from Cu(BF4)2 in PC. Cu‐NPs with smaller size distributions of 3.1 ± 0.7 nm and 3.7 ± 1.4 nm were obtained when copper(II) bis[1‐(dimethylamino)propan‐2‐olate], Cu[OCH(Me)CH2NMe2]2, was decomposed in PC and in [BMIm][BF4]. Small Cu‐NPs were also obtained from copper(II) acetylacetonate in [BMIm][BF4] with a diameter distribution of 3.3 ± 0.9 nm. Cubic Cu2O nanocubes (Cu2O‐NCs) of 43 ± 15 nm in size could be prepared by using Cu(OAc)2·H2O with [BMIm][BF4]. The size of the Cu2O‐NCs increased on isolation from the neat IL by addition of acetonitrile, which gave NCs of 0.1–0.5 μm in size.
Dimethylzinc‐Mediated Chlorolact­amization of Homoallylic Amines with Chloroform
Authors: Nishida Yuika , Ueda Masafumi , Hayashi Masataka , Takeda Norihiko , Miyata Okiko 
Published: December 2015

AbstractA novel chlorolactamization reaction of homoallylic amines has been developed. The treatment of homoallylic amines with dimethylzinc in chloroform led to the formation of the corresponding β‐chlorolactams via the Prins‐type cyclization of a carbamoyl chloride intermediate. The results of this study highlight the synthetic utility of chloroform as a source of both carbonyl group and chloride anion.
Influence of thermal behavior of phosphorus compounds on their flame retardant effect in PU rigid foam
Authors: Xu Wei , Wang Guojian 
Published: December 2015

SummaryPhosphorus‐containing compounds have been widely used as flame retardants for polyurethane rigid foam (PURF). In this work, a number of phosphorus compounds were utilized and studied as flame retardants for PURF, including ammonium polyphosphate, pentaerythritol phosphate, triethyl phosphate, and dimethyl methyl phosphonate. The thermal behavior of flame retardants was thoroughly investigated, such as degradation, vaporization, and the properties of degraded products. The influence of thermal behavior of phosphorus flame retardants on PURF was examined and analyzed. The results indicated that the effect of flame retardant was highly related to their thermal behavior. Phosphorus compounds for gas phase flame retardants were very effective in decreasing the heat release rate and increase limited oxygen index of PURF, while condensed phase flame retardants showed better comprehensive flame retardant effect, such as reducing the toxicity of combustion product. Copyright © 2015 John Wiley & Sons, Ltd.
Effect of different drying methods on the phenolic, flavonoid and volatile compounds of Stevia rebaudiana leaves
Authors: Periche Angela , Castelló María Luisa , Heredia Ana , Escriche Isabel 
Published: December 2015

AbstractDifferent drying methods (hot air drying, freeze drying and shade drying) were evaluated to discern the optimal conditions for the preservation of flavonoid, phenolic and volatile compounds in stevia leaves. All the methods applied affected the antioxidant and volatile compounds in dried stevia leaves differently. 2‐Hexenal, hexanal and α‐pinene were the most abundant volatile compounds produced by freeze drying and shade drying (21.1‐19.7; 14.2‐10 and 19.4‐5.04 µg/g, respectively); and furan tetrahydro and α‐pinene (3.2 and 3.1 µg/g, respectively) by air drying. While chlorogenic acid, coumaric acid and sinapic acid were the most abundant phenolic compounds produced by all the drying treatments (with values that ranged between 88.6‐191.8; 41.7‐91.3 and 33.2‐178.5 mg/100g dry weight of stevia, respectively). The content of volatile compounds was higher with shade drying, whereas most flavonoids and phenolic acids had higher concentrations following freeze drying, although some flavonoids and phenolic acids exhibited a higher increment with air drying. There is no best drying treatment, however, freeze drying results in an extract with satisfactory antioxidant properties and good aromatic characteristics. Copyright © 2015 John Wiley & Sons, Ltd.
Analysis of volatile compounds of clove (syzygium aromaticum) buds as influenced by growth phase and investigation of antioxidant activity of clove extracts
Authors: Kasai Hiroko , Shirao Mika , Ikegami‐Kawai Mayumi 
Published: December 2015

AbstractThe volatile compounds originating from fresh clove (Syzygium aromaticum) buds cultivated in a medicinal plant garden located in southern Tokyo were investigated. The volatile compounds originating from fresh clove buds were adsorbed onto polydimethylsiloxane‐coated devices and then analysed using gas chromatography‐mass spectrometry. Sampling was performed at three different development stages of clove buds, i.e., phase I (green), phase II (pink), and phase III (red). In thermal desorption‐gas chromatography‐mass spectrometry procedure volatile compounds: eugenol, β‐caryophyllene, α‐humulene, α‐farnesene, and eugenol acetate were the predominant constituents in most cases. Methyl salicylate, α‐copaene, β‐ocimene, 2‐nonanone, ethyl hexanoate, and acetophenone were additionally found as the buds ripened. Volatile compounds obtained from clove leaves were analysed using the same method, and β‐caryophyllene, eugenol, α‐humulene, 3‐hexen‐1‐ol, 3‐hexen‐1‐yl acetate, and hexyl acetate were identified.The antioxidant activity of both water and methanol extracts of clove buds and leaves collected from the medicinal plant garden was confirmed using electron spin resonance spectrometry. Scavenging activities against superoxide anion radical and hydroxyl radical were evaluated. Copyright © 2015 John Wiley & Sons, Ltd.
Hail climatology in Serbia
Authors: Ćurić Mladjen , Janc Dejan 
Published: December 2015

ABSTRACTThis study investigates the spatial and temporal characteristics of hail frequency in Serbia during the period 1949–2012. Two areas covering the whole territory of Serbia are treated: a complex terrain area (CTA) and a flat terrain area (FTA). Our research shows that the highest hail frequencies were found in the southwestern mountainous part of the country in the warm season. In the cold season, the area of maximum hail frequency lies in the region of the Sava and the Danube rivers. During the warm season, the highest hail frequencies are recorded in May and June and the smallest in August and September. This spatial pattern is influenced by the passages of the prevailing fronts, surface air temperatures and the convection enhancement by the mountains during the year. The trends of mean hail frequency are negative, except for the FTA in the dry season (August–September) and the cold season, in which nonparametric methods do not show any trends. The highest hail frequency area does not show any trend in the warm season, but interdecadal variability is significant. In general, the CTA has a greater mean hail frequency for all treated seasons. In contrast, the FTA has a greater maximum of mean hail frequency per station in the dry (August–September) and cold seasons. Although very small, the territory of Serbia also shows other peculiarities. In the last decade, the FTA has shown a strong positive trend of mean hail frequency as opposed to the CTA. This is due to the fact that the ridge of the Azores high extended over the CTA more frequently than before 2000.
Solid‐phase purification and extraction for the determination of trace neonicotinoid pesticides in tea infusion
Authors: Zhang Minglu , Chen Hongping , Zhu Li , Wang Chuanpi , Ma Guicen , Liu Xin 
Published: December 2015

An analytical protocol that includes solid‐phase purification and extraction is successfully developed for the determination of trace neonicotinoid pesticides in tea infusion. The method consists of a purification on amino‐functionalized mesoporous silica SBA‐15 followed by a solid‐phase extraction based on graphene oxide before ultra high performance liquid chromatography with tandem mass spectrometry analysis. Parameters that significantly affected the extraction of the neonicotinoids onto graphene oxide, such as the amount of adsorbent, extraction time, pH, elution solvent, etc. were optimized. The amino‐functionalized mesoporous silica SBA‐15 has been proved to be an efficient adsorbent for removal of polyphenols especially catechins from tea infusion. Graphene oxide exhibits a very rapid adsorption rate (within 10 min) and high adsorption capacities for neonicotinoids at low initial concentration (0.01–0.5 mg/L). The analysis method gave a good determination coefficient (r2 > 0.99) for each pesticide and high recoveries in the range of 72.2–95.0%. Powder X‐ray diffraction, Raman spectroscopy, transmission electron microscopy, and UV‐vis spectroscopy were utilized to identify the structure and morphology of graphene oxide. The adsorption driving force of neonicotinoids on graphene oxide mainly depends on π–π electron donor–acceptor interaction and electrostatic interaction.
Enzymatically Crosslinked Ulvan Hydrogels as Injectable Systems for Cell Delivery
Authors: Morelli Andrea , Betti Margherita , Puppi Dario , Bartoli Cristina , Gazzarri Matteo , Chiellini Federica 
Published: December 2015

The present study represents a challenging effort aiming at converting the waste algal biomass Ulva sp. into a source of high added value materials for biomedical applications by means of a clean and sustainable process. Ulvan, a sulphated polysaccharide extracted from Ulva sp., is investigated as in situ gelling material by using the enzyme horseradish peroxidase as catalyst and H2O2 as reagent. The polysaccharide is successfully modified with tyramine units in order to be susceptible to enzymatic recognition and crosslinking through oxidative coupling. The times of gelation of ulvan‐tyramine solutions are optimized by adjusting the amount of H2O2 used for ensuring their practical administration as injectable systems. The rheological properties of the polymeric solutions and the relevant hydrogels evaluated under operative conditions prove to be suitable as injectable in situ forming 3D‐hydrogels. The preliminary biological assays evidence the full cytocompatibility of the developed hydrogels and their feasibility for being used as 3D‐hydrogels for cell delivery.
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Facile Synthesis of Novel Polyethylene‐Based A‐B‐C Block Copolymers Containing Poly(methyl methacrylate) Using a Living Polymerization System
Authors: Song Xiangyang , Ma Qiong , Cai Zhengguo , Tanaka Ryo , Shiono Takeshi , Grubbs Robert B. 
Published: December 2015

Ethylene–propylene–methyl methacrylate (MMA) and ethylene–hexene–MMA A‐B‐C block copolymers with high molecular weight (>100 000) are synthesized using fluorenylamide‐ligated titanium complex activated by modified methylaluminoxane and 2,6‐di‐tert‐butyl‐4‐methylphenol for the first time. After diblock copolymerization of olefin is conducted completely, MMA is added and activated by aluminum Lewis acid to promote anionic polymerization. The length of polyolefin and poly (methyl methacrylate) (PMMA) is controllable precisely by the change of the additive amount of olefin and polymerization time, respectively. A soft amorphous polypropylene or polyhexene segment is located between two hard segments of semicrystalline polyethylene and glassy PMMA blocks.
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Memantine and Cognition in Parkinson's Disease Dementia/Dementia With Lewy Bodies: A Meta‐Analysis
Authors: Brennan Laura , Pantelyat Alexander , Duda John E. , Morley James F. , Weintraub Daniel , Wilkinson Jayne R. , Moberg Paul J. 
Published: December 2015

AbstractBackgroundThe aim of this work was to utilize meta‐analysis in examining the effects of memantine on neuropsychological functioning in patients with Parkinson's disease dementia (PDD) and dementia with Lewy bodies (DLB).MethodsIncluded studies fulfilled these criteria: included objective cognitive measures, a comparison group of participants not taking memantine, and provided sufficient data for calculation of effect size. We examined effect sizes across global cognition and five specific neuropsychological domains. Moderator variables examined included neuropsychological domain, diagnostic cohort (PDD, DLB, or mixed PDD‐DLB cohort), study design (open label or placebo‐controlled), and trial length.ResultsSix publications met inclusion criteria totaling 57 effects. Homogeneity analysis across cognitive domains revealed a small overall effect size (d = 0.25) that was significantly heterogeneous (P < 0.001). Specific neuropsychological domains did not moderate effect size, though. Moderator analysis studies using a mix of DLB and PDD subjects showed larger effects than those that included DLB or PDD patients only. Additionally, open‐label trials had significantly (P < 0.001) larger effect sizes (d = 1.32) than placebo‐controlled trials (d = 0.12).ConclusionsThe present study indicates that effect‐size heterogeneity across studies of memantine in DLB and PDD patients is moderated by diagnostic makeup of the cohort and study design. The small overall effect size noted in placebo‐controlled trials versus open‐label trials indicates that memantine has minimal effects on cognition in PDD and DLB and is unlikely to demonstrate clinically significant improvements in cognition.
Electrospray ionization tandem mass spectrometry analysis of isopimarane diterpenes from Velloziaceae
Authors: da Cunha Pinto Angelo , Vessecchi Ricardo , da Silva Carmelita Gomes , Amorim Ana Carolina Lourenço , dos Santos Júnior Helvécio Martins , Rezende Michelle Jakeline Cunha , Gates Paul J. , Rezende Claudia Moraes , Lopes Norberto Peporine 
Published: December 2015

RationaleThe study of natural products by electrospray ionization tandem mass spectrometry (ESI‐MS/MS) is an important strategy for the characterization of the major fragmentation reactions which can then help to determine the composition of complex mixtures. Application of ESI‐MS/MS to a series of isopimarane diterpenes from Velloziaceae allowed the rationalization of their fragmentation mechanisms.MethodsVelloziaceae diterpenes were isolated by silica gel column chromatography and investigated by ESI‐MS/MS analysis. The fragmentation studies were performed on a quadrupole‐time‐of‐flight instrument using N2as the collision gas. To help rationalize the fragmentation pathways observed, the geometry and sites of reactivity of the diterpenes were obtained by theoretical calculations using the B3LYP/6‐31 + G(d,p) model. Fragmentation mechanisms were proposed on the basis of the calculated protonation sites and product ions energies using density functional theory (DFT) methods.ResultsThe presence of hydroxyl and carbonyl groups on the terpene core influences the protonation site observed. One compound showed a radical cation as the base peak. MS/MS spectra exhibit water elimination as the major fragmentation pathway (via two ways), either when protonation takes place on the oxygen atom, or through elimination after activation from hydrogen migration. After the elimination of water, the formation of an endocyclic double bond induces a sequential retro‐Diels‐Alder (RDA) reaction as the major fragmentation step.ConclusionsA thorough rational analysis of the fragmentation mechanisms of protonated Velloziaceae diterpenes was used to propose the dissociation mechanisms in ESI‐MS/MS. The presence of esters in the side chain also influenced the intensity or occurrence of the observed protonated or cationized molecules in ESI‐MS. These results will aid the identification of analogues in sample extracts in future metabolomics studies. Copyright © 2015 John Wiley & Sons, Ltd.