bluuebunny/crossref_metadata_2025_split huggingface dataset:
Temperature‐Dependent Surface Enrichment Effects in Binary Mixtures of Fluorinated and Non‐Fluorinated Ionic Liquids
Authors: Heller Bettina S. J. , Lexow Matthias , Greco Francesco , Shin Sunghwan , Partl Gabriel , Maier Florian , Steinrück Hans‐Peter 
Published: October 2019

AbstractUsing angle‐resolved X‐ray photoelectron spectroscopy (ARXPS), we investigate the topmost nanometers of various binary ionic liquid (IL) mixtures at different temperatures in the liquid state. The mixtures consist of ILs with the same [PF6]− anion but two different cations, namely 3‐methyl‐1‐(3,3,4,4,4‐pentafluorobutyl)imidazolium hexafluorophosphate, [PFBMIm][PF6], and 1‐butyl‐3‐methylimidazolium hexafluorophosphate, [C4C1Im][PF6], with 10, 25, 50 and 75 mol % content of [PFBMIm][PF6]. We observe a preferential enrichment of the fluorinated chain in the topmost layer, relative to the bulk composition, which is most pronounced for the lowest content of [PFBMIm][PF6]. Upon cooling the mixtures stepwise from 95 °C until surface charging effects in XPS indicate solidification, we observe a pronounced increase in surface enrichment of the fluorinated chain with decreasing temperature in the liquid state. In contrast to the mixtures with lower [PFBMIm][PF6] contents, cooling the 75 mol % mixture additionally shows an abrupt decrease of the fluorinated chain signal before complete solidification occurs, which is assigned to partial precipitation effects.
Quantifizierung der Trenneffizienz einer strukturierten Packung mittels numerischer Simulation
Authors: Hill Simon , Acher Thomas , Hoffmann Rainer , Ferstl Johann , Deising Daniel , Marschall Holger , Rehfeldt Sebastian , Klein Harald 
Published: October 2019

AbstractDurch Kopplung einer transienten Zweiphasensimulation in einer strukturierten Packung mit einem Modell zur Simulation des Stoffübergangs wird die numerische Simulation des Rektifikations‐ und Absorptions‐/Desorptionsprozesses ermöglicht. Die Zweiphasenströmung wird hierbei mithilfe der Volume‐of‐Fluid (VoF)‐Methode abgebildet. Zur Simulation des lokal aufgelösten Stoffübergangs wird das Generalised Continuous Species Transfer (GCST)‐Modell verwendet. Die Simulationsdaten werden hinsichtlich der Trenneffizienz der untersuchten Packung ausgewertet, indem der HETP‐Wert berechnet wird.
Cold‐model investigation of the effect of dispersed phase inlet on the dispersion uniformity in a liquid‐liquid cyclone reactor for ionic liquid‐catalyzed isobutene alkylation
Authors: Zhang Mingyang , Wang Zhenbo , Liu Zhichang , Li Shijie , Zhang Linhua , Zhu Liyun , Li Xiaoyu 
Published: October 2019

AbstractA liquid‐liquid cyclone reactor was proposed for ionic liquid‐catalyzed isobutane alkylation to improve the mixing efficiency and accelerate the separation between alkylate and ionic liquid. The Eulerian‐Eulerian multiphase flow model and Reynolds stress model (RSM) were used to simulate the flow field in the reactor. A parameter, named the dispersion uniformity of dispersed phase, β, was used to quantify the dispersibility of the dispersed phase in the reaction chamber of the reactor. Moreover, the effects of the structural parameters of the dispersed phase inlet (slot) on the dispersion uniformity of the dispersed phase were investigated. As can be seen from the results, the angle of the slot has an effect on the inlet velocity direction, while the other structural parameters have an effect on the inlet velocity magnitude. The shear force is the impetus for the dispersion of the dispersed phase into the continuous phase, and the relative velocity is the cause of the shear force. Therefore, by analyzing the effect of the structural parameters of the slot on the dispersion uniformity, it can be deduced that the dispersion of the dispersed phase performs well under a suitable inlet velocity ratio range of the continuous phase to the dispersed phase (2.5‐3.5).
The modeling of urban rail transit emergency delay propagation scope under network operation mode
Authors: Ding Xiaobing , Zhao Yuan , Liu Zhigang , Hu Hua 
Published: October 2019

SummaryWith the increase of the operation mileage of the urban rail transit and the extension of lines, the networked operation has become an inevitable trend of rail transit operation. Once an emergency takes place, it will cause delays of the large‐scale operation or even more serious mass safety incidents. First, the topology structure of urban rail transit network is analyzed. According to the static characteristics of the network clustering coefficient, degree, etc, a network model of directional empowerment network is constructed that can be used for analysis of the delay propagation scope. Second, the characteristics of the mass passenger flow distribution of rail transit in emergency is investigated and deeply explored in this paper. Based on this, the model of the delay spread and dissipation is constructed according to the emergency handling time and dissipation time of the passenger congestion. Finally, based on the cellular automaton model, the evolution rule for the delay spreading of the station state is established. The simulation results show that the established model has good reliability and accuracy, which can be adopted to predict the duration and spread of the delay in the emergency. This provides a basis for adjusting the transport organization plan and evacuating passenger flow in emergency.
Valorization of Waste: Sustainable Organocatalysts from Renewable Resources
Authors: Meninno Sara 
Published: October 2019

AbstractOne of the greatest challenges facing our society is to reconcile our need to develop efficient and sophisticated chemical processes with the limited resources of our planet and its restricted ability to adsorb pollution. Organocatalysis has allowed many issues to be addressed in the development of sophisticated, but less polluting, processes. However, minimizing waste also means an efficient utilization of raw and renewable materials. Waste biomass represents an alternative to conventional petroleum‐based chemical manufacturing and is a highly attractive renewable resource for the production of chemicals and high‐value‐added organocatalysts. Recent achievements in the use of renewable biomass feedstocks for the synthesis of organocatalysts are presented. Their application in synthetic methodologies, including multicomponent reactions, which are performed under solvent‐free conditions or in eco‐friendly reaction media, as well as recycling and reusing the organocatalysts, is illustrated. A few pioneering examples that demonstrate the potential of these promoters in asymmetric synthesis have also been documented. In particular, this review covers examples on the use of hetero‐ and homogeneous organocatalysts derived from 1) waste biopolymers, such as chitosan, alginic acid, and cellulose; ii) renewable platform molecules, such as levoglucosenone, isosorbide, mannose, d‐glucosamine, and lecithin; 3) terpenes and rosin, such as pinane, isosteviol, and abietic acid; and iv) natural proteins (gelatin, bovine tendons, silk fibroin proteins).
A naturalistic investigation of cognitive‐affective dysfunction in anorexia nervosa: The role of inefficiency
Authors: Fürtjes Sophia , Seidel Maria , King Joseph A. , Boehm Ilka , Jaite Charlotte , Roessner Veit , Ehrlich Stefan 
Published: October 2019

AbstractObjectiveResearch has shown that rumination and negative affect are elevated in patients with anorexia nervosa (AN), but the underlying origins remain unclear. Drawing from the theoretical framework of the Goal Progress Theory of rumination, we propose that heightened feelings of “inefficiency” (i.e., low self‐efficacy) in AN might play an important role in these dysfunctional cognitive‐affective processes.MethodThirty‐two weight‐recovered participants with a history of AN and 32 healthy control participants filled out questionnaires regarding rumination and affect six times a day over a period of 2 weeks via ecological momentary assessment in real‐life.ResultsAnalyses via hierarchical as well as conceptual process modeling suggest that while inefficiency is generally associated with more rumination and negative affect, additional amplifying mechanisms between these variables exist specifically in recovered participants with a history of AN.DiscussionInefficiency as a core aspect of AN appears to trigger dysfunctional cognitive‐affective processes which may contribute to vulnerability for AN.
Investigation of the factors influencing methane adsorption on illite
Authors: Xiong Jian , Liu Xiangjun , Liang Lixi , Wei Xiaocheng , Xu Peng 
Published: October 2019

AbstractThe molecular simulation method was used to investigate the adsorption behaviors of methane on illite. The effects of several factors on methane adsorption, free gas amounts, and the proportions of absorbed gas in the illite nanopores, including the pore size, temperature, and water content, are discussed. The results obtained show that methane adsorption in illite nanopores is due mainly to van der Waals adsorption. With an increase in the pressure or of the pore size, the free gas amounts of methane increase, whereas the free gas amounts decrease with increasing temperature or water content. With increasing pressures or decreasing pore sizes, the methane adsorption capacity of the illite pores increases. When the pressure or pore size increases, the proportion of the adsorbed gas in the pores decreases. As the temperature increases, the methane adsorption capacity of the illite pores decreases, and the proportion of adsorbed gas in the illite pores decreases slightly. The adsorbed phase density decreases with increasing pore size and temperature, whereas the adsorbed phase density increases with increasing pressure. The electrostatic forces and hydrogen bonds have a positive effect on water adsorption in the illite nanopores, while the van der Waals forces have the opposite effect, which causes the water molecules in the illite pores to exist in the form of aggregates. The water molecules occupy the areas near the pore walls in a directional manner and occupy the adsorption space and the adsorption sites of methane, resulting in a decrease in the methane adsorption capacity and a slight reduction in the proportion of adsorbed gas.
High‐frequency standard deviation of the capacity factor of renewable energy facilities: Part 1—Solar photovoltaic
Authors: Boretti Alberto 
Published: October 2019

AbstractIt is important to secure for every solar photovoltaic energy installation the highest‐possible average (mean) capacity factor, as well as the lowest‐possible SD, this latter computed with high frequency. High‐frequency data of solar photovoltaic energy facilities are, however, very hard to be found. There are no estimations in the literature of the SD of the capacity factor of solar photovoltaic energy installations sampled with high frequency. Here, we show the data sampled every 5 minutes for the solar photovoltaic energy facilities connected to the Australian National Electricity Market grid during the year 2018. The average capacity factors are about 27%‐28% flat panel, and 31%‐32% tracking flat panel. The SDs have larger values at about 37%‐38%, for coefficients of variation 120%‐130%. As solar photovoltaic energy facilities only produce electricity during the daylight time, that is predictable, the statistic analysis is also applied to the daylight times only. While average daylight‐only capacity factors are about twice the previous values, SDs are slightly less, for coefficients of variations more than halved at 55%‐65%. The analysis highlights the extreme variability of solar energy helping the design of the energy storage needed for making possible an efficient, resilient, renewable energy‐only grid. The collected and interpreted information and the provided analysis are filing a gap in the area of renewable energy and energy harvesting technology based on wind and solar photovoltaics where variability has been so far underevaluated.
Heavy Metal, Arsenic, and Selenium Concentrations in Bird Feathers from a Region in Southern China Impacted by Intensive Mining of Nonferrous Metals
Authors: He Chao , Su Tongping , Liu Shilong , Jiang Aiwu , Goodale Eben , Qiu Guangle 
Published: October 2019

Abstract
Heavy metal pollution is widespread in China, particularly in its mining regions. Mercury (Hg) concentrations in birds from Guizhou Province were recently reported to be above adverse effect levels, even in nonmining areas. We sampled birds to investigate whether Hg might be a threat near lead (Pb), zinc (Zn), and tin (Sn) mines in Guangxi Zhuang Autonomous Region. We measured concentrations of 8 metals/metalloids in feathers of 627 resident birds representing 60 species sampled across 14 sites on 5 rivers. We found that Hg concentrations (mean ± standard deviation, 1.27 ± 2.02 ppm) were lower than in the recent Guizhou study. Mercury had the fewest correlations with other metals/metalloids; the mined metals (Pb, Sn, Zn) had the most such correlations. Levels of cadmium (Cd; 1.12 ± 2.64 ppm), arsenic (As; 4.78 ± 17.11 ppm), and Pb (17.18 ± 24.49 ppm) were closer to thresholds of adverse effects or relatively high compared to other studies. With the exception of a few hot spots for Hg, Cd, and As near mines, metal/metalloid levels were fairly evenly distributed among sites, consistent with the regional occurrence of mineable ore deposits. It appears that Hg is not threatening to all avian species in China, although it may be problematic for some species near Hg mines. In addition to Hg, however, other metals/metalloids may pose wildlife health hazards. Environ Toxicol Chem 2020;39:371–380. © 2019 SETAC
Characterization of volatile and odor‐active compounds of the essential oil from Bidens graveolens Mart. (Asteraceae)
Authors: Silva Ana C. R. , Bizzo Humberto R. , Vieira Roberto F. , Bringel João B. A. , Azevedo Débora A. , Uekane Thais M. , Rezende Claudia M. 
Published: October 2019

AbstractDuring a bioprospection study in the Brazilian Cerrado, samples of Bidens graveolens Mart., an endemic species, were investigated. Chemical and olfactive analyses were performed on the essential oil obtained from fresh leaves of B. graveolens collected in November 2013 (BG1) and May 2014 (BG2). A total of 60 compounds were identified in the essential oil extracted from fresh leaves, by hydrodistillation. The main constituents were identified as monoterpene hydrocarbons, ranging from 86.5% to 89.6%. Limonene was the major compound, accounting for 22.8% in BG1 and 47.7% in BG2. Thirty‐three–oxygenated monoterpenes were identified, comprising about 9% in both essential oils (EO). The attributes described by the panelists are in accordance to the sensorial profile. Myrcene, limonene, epoxy‐myrcene, and limonene dioxide were rated by all panelists. Present at a frequency of 83.3%, α‐pinene, β‐pinene, α‐pinene oxide, and carvone were picked out by five panelists. It is noteworthy that most compounds rated with the highest intensity score belonged to the oxygenated monoterpene class, considered the most expressive terpene class used in perfumery. In general, these compounds were described as presenting green, herb, spicy, fresh, and camphoraceus odors.
An extragonadal yolk sac tumor presumed to be of postmeiotic germ cell origin by genetic zygosity analysis via single nucleotide polymorphism array
Authors: Tamura Daisuke , Maeda Daichi , Sato Toshiharu , Sugawara Tae , Shirasawa Hiromitsu , Shimizu Dai , Sato Naoki , Goto Akiteru , Terada Yukihiro 
Published: October 2019

AbstractAn extragonadal yolk sac tumor (YST) is a rare malignant germ cell tumor that usually occurs in childhood. The pathogenesis of extragonadal YST remains largely unknown, especially with regards to its cell of origin. Herein, we report a case of extragonadal YST arising in the uterine round ligament. A 31‐year‐old Japanese woman, para 2, underwent partial resection of a left‐sided, 5‐cm, solid inguinal mass. Intraoperative findings showed enlargement of the uterine round ligament in the inguinal canal. Pathological evaluation diagnosed the mass as YST with a mature teratoma (MT) component. The preoperative α‐fetoprotein level was markedly elevated, at 24 790 ng/mL. Postoperative magnetic resonance imaging revealed a right ovarian MT and a 3‐cm mass remaining in the left lower abdominal wall. The patient underwent total abdominal hysterectomy, bilateral adnexectomy, and left inguinal mass resection. We sampled three frozen tissues (YST, right ovarian MT, and left normal ovary) and performed a single nucleotide polymorphism (SNP) array. Pathological evaluation revealed remnant extragonadal YST in the left inguinal region. The SNP array demonstrated a completely homozygous YST genotype. Copy number variations were gains of 1p, 1q, 2p, 3p, 7p, 8p, 10q, 14q, 18p, 20q, Xp, and Xq and losses of 12q, 20p, and Xq. The right ovarian MT and left normal ovary were partially homozygous and heterozygous, respectively. The evidence suggests that this neoplasm is presumed to be a postmeiotic germ cell origin.
Combined assessment of 3q26 amplification and promoter methylation in patients with high grade cervical lesions show age specific differences
Authors: Beiersdorf Josefine , Scheungraber Cornelia , Wunsch Kristina , Schmitz Martina , Hansel Alfred , Hoyer Heike , Gajda Mieczyslaw , Greinke Christiane , Runnebaum Ingo B. , Dürst Matthias , Backsch Claudia 
Published: October 2019

AbstractA considerable proportion of high grade cervical intraepithelial lesions (CIN2/3) are known to resolve on their own especially among young women. However, since reliable prognostic markers are still lacking, the diagnosis “CIN3” is still an indication for surgery which may result in overtreatment. It is conceivable that a combination of different, ideally independent molecular markers may provide more reliable results. In the present cross‐sectional study two established triage markers, 3q26 amplification and a methylation signature, were evaluated in an age‐dependent manner. The patient cohort comprised 60 patients with histologically confirmed CIN2/3 in two equally sized age groups (<30 years, ≥30 years). Cervical scrapes were analyzed by interphase fluorescence in situ hybridization for 3q26 amplification and methylation specific PCR (GynTect®) for six different genome regions. Both assays showed a significantly different pattern of test outcome independent of age (P = .001). Moreover, the combination of both assays differed significantly for double positive and double negative cases when comparing the two age groups: In patients <30 years there were clearly less cases with positive methylation signature and amplification of 3q26 as in women ≥30 years (23% vs 63%, Bonferroni adjusted P = .016). Of particular interest is the finding that double negative results were exclusive for the young age group (0% vs 27%, Bonferroni adjusted P = .020). Since regression of CIN2/3 characteristically occurs among young women it is tempting to speculate that a double negative test result could be prognostic for regression of CIN2/3. This will have to be investigated further in a prospective longitudinal intervention study.
Total Synthesis and Biological Evaluation of Heliolactone
Authors: Yoshimura Masahiko , Fonné‐Pfister Raymonde , Screpanti Claudio , Hermann Katrin , Rendine Stefano , Dieckmann Michael , Quinodoz Pierre , De Mesmaeker Alain 
Published: October 2019

AbstractStrigolactones are phytohormones, which affect diverse aspects of plant growth and development with potential application in modern agriculture. Recently, heliolactone has been isolated as a non‐canonical type of strigolactone from the root exudates of sunflower, and it could be involved in signaling in the rhizosphere as well as in planta. However, its biological activity is yet to be evaluated, due to its relative chemical instability and its low natural abundance. Herein, we describe the gram‐scale synthesis of heliolactone and its derivatives by using Stille cross‐coupling as the key bond‐forming reaction, and we disclose some of their biological activities (soil stability, binding ability to strigolactone receptor, corn germination, sunflower germination, Orobanche cumana germination and leaf senescence) in comparison with other canonical and non‐canonical strigolactones.
Why Do We Need More Active ATRP Catalysts?
Authors: Lorandi Francesca , Matyjaszewski Krzysztof 
Published: October 2019

AbstractAtom transfer radical polymerization (ATRP) is a staple technique for the preparation of polymers with well‐defined architecture. In ATRP, the catalyst governs the equilibrium between propagating radicals and dormant species, thus affecting the polymerization control for a range of monomers and transferable atoms employed in the process. The design and the use of highly active catalysts could diminish the amount of transition metal complexes, extend ATRP to less active monomers and give access to new chain‐end functionalities. At the same time, very active catalysts can be involved in formation of organometallic species. Herein, the role of the catalyst on the ATRP equilibrium is carefully elucidated, together with recent observations on the impact of the catalyst nature on formation of organometallic species and relevant side reactions. Based on this knowledge, a perspective on the benefits and challenges that derive from the use of highly active ATRP catalysts is presented.
The atherogenic role of immune cells in familial hypercholesterolemia
Authors: Taghizadeh Eskandar , Taheri Forough , Gheibi Hayat Seyed Mohammad , Montecucco Fabrizio , Carbone Federico , Rostami Daryoush , Montazeri Ardalan , Sahebkar Amirhossein 
Published: October 2019

AbstractFamilial hypercholesterolemia (FH) is an autosomal dominant disorder of lipoprotein metabolism that mainly occurs due to mutations in the low‐density lipoprotein receptor gene and is characterized by increased levels of low‐density lipoprotein cholesterol, leading to accelerated atherogenesis and premature coronary heart disease. Both innate and adaptive immune responses, which mainly include monocytes, macrophages, neutrophils, T lymphocytes, and B lymphocytes, have been shown to play a key role for the initiation and progression of atherogenesis in the general population. In FH patients, these immune cells have been suggested to play specific pro‐atherosclerotic activities, from the initial leukocyte recruitment to plaque rupture. In fact, the accumulation of cholesterol crystals and oxLDL in the vessels in FH patients is particularly high, with consequent abnormal mobilization of immune cells and secretion of various pro‐inflammatory and chemokines. In addition, cholesterol accumulation in immune cells is exaggerated with chronic exposure to relevant pro‐atherosclerotic triggers. The topics considered in this review may provide a more specific focus on the immune system alterations in FH and open new insights toward immune cells as potential therapeutic targets in FH.