bluuebunny/crossref_metadata_2025_split huggingface dataset:
Icephobicity of Slippery Liquid Infused Porous Surfaces under Multiple Freeze–Thaw and Ice Accretion–Detachment Cycles
Authors: Niemelä‐Anttonen Henna , Koivuluoto Heli , Tuominen Mikko , Teisala Hannu , Juuti Paxton , Haapanen Janne , Harra Juha , Stenroos Christian , Lahti Johanna , Kuusipalo Jurkka , Mäkelä Jyrki M. , Vuoristo Petri 
Published: August 2018

AbstractSurface engineering can be used to prevent ice accumulation and adhesion in environments that deal with icing problems. One recent engineering approach, slippery liquid infused porous surfaces (SLIPS), comprises a smooth and slippery lubricating surface, where lubricant is trapped within the pores of a solid material to repel various substances, such as water and ice. However, it remains unclear whether the slippery surfaces retain their icephobic characteristics under the impact of supercooled water droplets or repeated freezing and melting cycles. Here, the icephobic properties of SLIPS are evaluated under multiple droplet freeze–thaw and ice accretion–detachment cycles and compared to hydrophobic and superhydrophobic surfaces. The experiments are designed to mimic real environmental conditions, thus, the icephobicity is investigated in icing wind tunnel, where ice accretion occurs through the impact of supercooled water droplets. The adhesion of ice remained extremely low, <10 kPa, which is four times lower than ice adhesion onto smooth fluoropolymer surfaces, even after repeated ice accretion–detachment cycles. Moreover, cyclic droplet freeze–thaw experiments provide insight into the effects of temperature cycling on SLIPS wettability, showing stable wetting performance. The results suggest liquid infused porous surfaces as a potential solution to icephobicity under challenging and variating environmental conditions.
Trimethylaluminum Diffusion in PMMA Thin Films during Sequential Infiltration Synthesis: In Situ Dynamic Spectroscopic Ellipsometric Investigation
Authors: Cianci Elena , Nazzari Daniele , Seguini Gabriele , Perego Michele 
Published: August 2018

AbstractSequential infiltration synthesis (SIS) provides a successful route to grow inorganic materials into polymeric films by penetrating of gaseous precursors into the polymer, both in order to enhance the functional properties of the polymer creating an organic–inorganic hybrid material, and to fabricate inorganic nanostructures when infiltrating in patterned polymer films or in self‐assembled block copolymers. A SIS process consists in a controlled sequence of metal–organic precursor and coreactant vapor exposure cycles of the polymer films in an evacuated reactor. Here, a study of the SIS process of alumina using trimethylaluminum (TMA) and H2O in various polymer films using in situ dynamic spectroscopic ellipsometry (SE) is reported. In situ dynamic SE enables time‐resolved monitoring of the polymer swelling, which is relevant to the diffusion and retains the metal precursor into the polymer itself. Diffusion coefficients of TMA in poly(methylmethacrylate) (PMMA) are extracted, investigating the swelling of pristine PMMA films during TMA infiltration and shown to be dependent on polymer molecular weight. In situ dynamic SE allows to control the SIS process, tuning it from an atomic layer deposition – like process for long purge to a chemical vapor deposition – like process selectively confined inside the polymer films.
Visible‐Light‐Triggered, Metal‐ and Photocatalyst‐Free Acylation of N‐Heterocycles
Authors: Guillemard Lucas , Colobert Françoise , Wencel‐Delord Joanna 
Published: August 2018

AbstractA photoinduced acylation of N‐heterocycles is explored. This visible‐light triggered reaction occurs not only under extremely mild reaction conditions, but also does not require the presence of a photosensitizer. The mechanistic studies suggest formation of EDA complexes prompt to harness the energy from visible‐light. Compatibility with a large panel of α‐keto acids as acyl precursors and an array of N‐heterocycles clearly showcase the synthetic potential of this handy and green acylation protocol.magnified image
A multimodality work‐up of patients with Hypereosinophilia
Authors: Hu Zhihong , Boddu Prajwal C. , Loghavi Sanam , Miranda Roberto N. , Goswami Maitrayee , Medeiros L. Jeffrey , Tam Wayne , Orazi Attilio , Verstovsek Srdan , Wang Sa A. 
Published: August 2018

AbstractThe work‐up of patients with hypereosinophilia (HE) is complex. Following the recently revised World Health Organization criteria, we retrospectively reviewed 125 patients who were referred to us to exclude a neoplastic cause of HE (2003‐2016). The clinical laboratory work‐up confirmed secondary HE in 25 (20%) patients; myeloid/lymphoid neoplasms with rearrangements of PDGFRA (n = 9) or PDGFRB (n = 2) (9%); HE associated with a well‐defined myeloid neoplasm in 8 (6%); and abnormal bone marrow and/or molecular genetic abnormalities consistent with chronic eosinophilic leukemia (CEL), not otherwise specified (NOS) in 21 (17%) patients. For the remaining 60 (48%) patients, a specific diagnosis was not identified, and 56 patients had HE related findings consistent with idiopathic hypereosinophilic syndrome (HES), while 4 patients who were asymptomatic. With a median follow up of 35.3 months (range, <1‐104), patients with CEL, not otherwise specified (NOS) had a median OS of 26.1 months, significantly inferior to patients with idiopathic HES (not reached, P < .01). Thus, our experience in a single tertiary cancer center shows that the work‐up of HE following WHO recommendations requires a multimodality‐based approach; and a correct diagnosis determines risk stratification and proper patient management. However, the causes of HE remain unknown in approximately half of referred patients, indicating the need for further studies.
Oxygen‐ and Sulfur‐bridged L‐shaped π‐Conjugated Molecules: Synthesis, Aggregated Structures, and Charge Transporting Behavior
Authors: Okamoto Toshihiro , Dosei Hiroaki , Mitani Masato , Murata Yoshinori , Ishii Hiroyuki , Nakamura Ken‐ichi , Yamagishi Masakazu , Yano Masafumi , Takeya Jun 
Published: August 2018

AbstractA series of oxygen‐ and sulfur‐bridged L‐shaped π‐electron cores (π‐cores) with Cs symmetry, dinaphtho [2, 1‐b:2′,3′‐d] furan (DNF−L) and dinaphtho [2, 1‐b:2′,3′‐d] thiophene (DNT−L), have been designed and investigated. DNF−L and DNT−L were successfully synthesized from commercially available 2‐methoxylnaphthalene in three and four steps, respectively. Notably, these compounds exhibited extremely high solubility in common organic solvents even without substituents and excellent thermal and chemical stability. X‐ray single‐crystal structural analyses of DNF−L and DNT−L reveal that both molecules form herringbone‐type packing structures suitable for two‐dimensional charge transport, but the packing of DNT−L has a large displacement in the direction of the longitudinal axis. Moreover, DNF−L shows a charge carrier mobility of up to 1.5 cm2/Vs in single‐crystal transistors, indicating that these L‐shaped molecules have excellent potential as organic semiconducting backbones with high solubility and high thermal and chemical stabilities.
Magnetic Phase Transition Driven by Frustrated Interactions in a Longitudinal‐Field Ising Chain
Authors: Zhou Yan‐Li 
Published: August 2018

AbstractThe ground‐state magnetic phase transitions in a classical spin chain with long‐range interactions in a system of trapped ions are investigated. The tunable competing interactions, mediated by both longitudinal and transverse photon modes, lead to competition among different spins, due to which magnetic frustration occurs. Various ground‐state spin configurations are separated by multiple phase transitions when the strength and sign of these interactions are tuned continuously. The spin chains are highly degenerated because of the frustration, so there is some melting of several magnetic phases.
Jenseits von Friedel und Crafts: immanente Alkylierung von C‐H‐Bindungen in Arenen
Authors: Evano Gwilherm , Theunissen Cédric 
Published: August 2018

AbstractAlkylierte Arene sind allgegenwärtige Moleküle und Bausteine in vielen Bereichen der Naturwissenschaften. Die nur scheinbar einfache regioselektive Alkylierung von Arenen ist tatsächlich in vielen Fällen noch immer eine anspruchsvolle Transformation. Klassische Methoden zur Einführung von Alkylgruppen in Arene, wie die Friedel‐Crafts‐Reaktion, Radikaladditionen, die Metallierung oder Präfunktionalisierung von Arenen mit anschließender Alkylierung, ebenso wie Alternativen wie die dirigierte Alkylierung von C‐H‐Bindungen, zeigen noch immer gravierende Einschränkungen hinsichtlich der Anwendungsbreite, Effizienz und Selektivität. Diese können durch die Ausnutzung der immanenten Reaktivität einiger (Hetero)Arene umgangen werden, in denen elektronische und sterische Eigenschaften, die durch ein (oder mehrere) vorhandene(s) Heteroatom(e) bestimmt werden (oder nicht bestimmt werden), eine hohe Regioselektivität gewährleisten. Dieser Aufsatz bietet einen umfassenden Überblick über die immanenten Alkylierungen von (Hetero)Arenen.
Risk of Knee Osteoarthritis With Obesity, Sarcopenic Obesity, and Sarcopenia
Authors: Misra Devyani , Fielding Roger A. , Felson David T. , Niu Jingbo , Brown Carrie , Nevitt Michael , Lewis Cora E. , Torner James , Neogi Tuhina ,   the MOST study
Published: August 2018

ObjectiveObesity, defined by anthropometric measures, is a well‐known risk factor for knee osteoarthritis (OA), but there is a relative paucity of data regarding the association of body composition (fat and muscle mass) with risk of knee OA. We undertook this study to examine the longitudinal association of body composition categories based on fat and muscle mass with risk of incident knee OA.MethodsWe included participants from the Multicenter Osteoarthritis Study, a longitudinal cohort of individuals with or at risk of knee OA. Based on body composition (i.e., fat and muscle mass) from whole‐body dual x‐ray absorptiometry, subjects were categorized as obese nonsarcopenic (obese), sarcopenic obese, sarcopenic nonobese (sarcopenic), or nonsarcopenic nonobese (the referent category). We examined the relationship of baseline body composition categories with the risk of incident radiographic OA at 60 months using binomial regression with robust variance estimation, adjusting for potential confounders.ResultsAmong 1,653 subjects without radiographic knee OA at baseline, significantly increased risk of incident radiographic knee OA was found among obese women (relative risk [RR] 2.29 [95% confidence interval {95% CI} 1.64–3.20]), obese men (RR 1.73 [95% CI 1.08–2.78]), and sarcopenic obese women (RR 2.09 [95% CI 1.17–3.73]), but not among sarcopenic obese men (RR 1.74 [95% CI 0.68–4.46]). Sarcopenia was not associated with risk of knee OA (for women, RR 0.96 [95% CI 0.62–1.49]; for men, RR 0.66 [95% CI 0.34–1.30]).ConclusionIn this large longitudinal cohort, we found body composition–based obesity and sarcopenic obesity, but not sarcopenia, to be associated with risk of knee OA. Weight loss strategies for knee OA should focus on obesity and sarcopenic obesity.
Lasttransfermethode zur Berechnung von Gründungen und Baugrundverbesserung mit starren Säulen
Authors: Bohn Cecilia , Vogt Norbert 
Published: August 2018

AbstractDie Lasttransfermethode (LTM) ist eine besonders gut geeignete Methode für die Berechnung von Systemen mit starren Säulen und Pfählen mit relativ einfachen Geometrien. Es ist ein ingenieurmäßiges Werkzeug mit übersichtlichen Diagrammen zur Darstellung der wichtigsten Interaktionen und Ergebnisse für das Säulen‐Boden‐System. Der Boden oberhalb, zwischen und unterhalb der Säulen wird mit seinem Steifemodul berücksichtigt. Die verformungsabhängige Boden‐Säulen‐Interaktion für Mantelreibung und Spitzendruck wird durch Lasttransferkurven (Mobilisierungsfunktionen) beschrieben. Nichtlineare Lasttransferkurven basierend auf instrumentierten Probebelastungen werden empfohlen, um das reale Verhalten optimal abzubilden. Für eine breitere internationale Nutzung wird eine Alternative zu den vor allem in Frankreich bewährten, auf dem Pressiometermodul beruhenden Lasttransferkurven von Frank und Zhao (1982) vorgeschlagen. Die Lasttransfermethode, die ursprünglich für Einzelsäulen (Pfähle) entwickelt wurde, wird für kombinierte Systeme mit Säulen im großflächigen Raster oder unter Einzelfundamenten erweitert.
Age differences in financial decision making:The benefits of more experience and less negative emotions
Authors: Eberhardt Wiebke , Bruine de Bruin Wändi , Strough JoNell 
Published: August 2018

AbstractThe emerging literature on aging and decision making posits that decision‐making competence changes with age, as a result of age differences in various cognitive and noncognitive individual‐differences characteristics. In a national life‐span sample from the United Kingdom (N = 926), we examined age differences in financial decisions, including performance measures of sunk cost and credit card repayment decisions, and self‐report measures of money management and financial decision outcomes. Participants also completed four individual‐differences characteristics that have been proposed as relevant to financial decision making, including two cognitive ones (numeracy and experience‐based knowledge) and two noncognitive ones (negative emotions about financial decisions). First, we examined how age was related to the four financial decision‐making measures and the four individual‐differences characteristics. Older age was correlated to better scores on each of the four financial decision‐making measures, more experience‐based knowledge, less negative emotions about financial decisions, whereas numeracy and motivation were not significantly correlated with age. Second, we found that considering both the two cognitive and the two noncognitive individual‐differences characteristics increased predictions of financial decision making, as compared with considering either alone. Third, we examined how these four individual‐differences characteristics contributed to age differences in financial decision making. Older adults' higher levels of experience‐based knowledge and lower levels of negative emotions seemed to especially benefit their financial decision making. We discuss implications for theories on aging and decision making, as well as for interventions targeting financial decisions.
Experimental and theoretical study on structure and spectroscopic properties of 2‐bromo‐3‐N‐(N′,N′‐dimethylformamidino) benzanthrone
Authors: Kirilova Elena , Yanichev Artur , Puckins Aleksandrs , Fleisher Mendel , Belyakov Sergey 
Published: August 2018

AbstractThe goal of present research is a theoretical and experimental investigation of geometrical structure, electronic properties, absorption and fluorescence spectra prediction for 2‐bromo‐3‐N‐(N′,N′‐dimethylformamidino)benzanthrone. As a result of conformational analysis, two rotamers have been found with a rotational barrier of 5.45 kcal/mol. Absorption and fluorescence spectra maxima in the solvent (ethanol) have been calculated using the concepts of the Jablonsky diagram. The obtained values of the absorption and fluorescence maxima (437 and 679 nm, respectively) correspond to the experimental values (447 and 659 nm). The abnormally large Stokes shift is associated with the redistribution of electron density, as well as flattening of the structure of the molecule in the excited state. According to the frontal molecular orbital analysis data, the peak in the long‐wave part of the absorption spectra is created by an electron transition from the highest occupied molecular orbital (HOMO) to the lowest occupied molecular orbital (LUMO) (π→π*). Substitute group does not participate in the formation of absorption and fluorescence spectra.
An evaluation of climate change response capabilities of local municipalities within the Waterberg District Municipality, Limpopo Province
Authors: Masonganye Mary , Mukonza Chipo 
Published: August 2018

AbstractClimate change poses disasters in South Africa, and Limpopo Province has been declared one of the priority areas that need relief due to the impacts of climate change. Climate change response is the responsibility of all spheres of government. The national and provincial spheres of government provide policy guidance, whereas district and local level of government are responsible for the implementation of the responses. The aim of the research study was to evaluate the climate change response capabilities of the local municipalities within the Waterberg District Municipality in Limpopo Province and their ability to achieve spatial resilience. A qualitative approach was followed. Interviews were conducted with municipal personnel, and a focus group discussion with a group of town planners at the Department of Public Works and a group of town planners from various local municipalities was conducted. Thematic analysis was used to analyse the results. The results show that local municipalities acknowledge the problems brought by climate change and their responsibility to respond. However, there is neither a clear mandate nor procedures on how the implementation processes should be carried out. Some of the challenges municipalities face are lack of knowledge, technical expertise, and funding for climate change responses. The country must first understand and develop clear channels of climate change response before making commitments to international transnational climate change response initiatives.
Overexpression of KIF20A confers malignant phenotype of lung adenocarcinoma by promoting cell proliferation and inhibiting apoptosis
Authors: Zhao Xia , Zhou Lei‐lei , Li Xiaoyou , Ni Jie , Chen Ping , Ma Rong , Wu Jianzhong , Feng Jifeng 
Published: August 2018

AbstractIncreasing studies showed that kinesin family member 20A (KIF20A) was overexpessed in several types of cancer, and its overexpression correlated with the oncogenesis and prognosis of cancers. However, little is known about the role of KIF20A in lung adenocarcinoma (LUAD). In this study, we employed the bioinformatics analysis to identify the upregulation of KIF20A in LUAD, then verified the results in human tumor specimens and LUAD cell lines. Compared with normal lung tissues, a ubiquitous upregulation of KIF20A was observed in LUAD tissues by immunohistochemistry (IHC) as well as TCGA analysis. Higher expression of KIF20A was significantly associated with more advanced clinicopathological features and shorter overall survival (OS). Moreover, multivariate Cox regression analysis revealed that KIF20A was an independent prognostic factor for OS. The expression of KIF20A was significantly elevated in LUAD cell lines. After silencing KIF20A, lung cancer cell cycle arrested in G1 phase and apoptosis increased. The same results were observed in vivo. Thus, our study demonstrated that KIF20A might confer malignant phenotype to LUAD by regulating cell proliferation and apoptosis, providing a new potential biomarker for clinical treatment of LUAD.
Severe duodenal stenosis due to rupture of pancreaticoduodenal artery aneurysm
Authors: Oda Yoshimasa , Tago Masaki , E. Katsuki Naoko , Yamashita Shu‐ichi 
Published: August 2018

Key Clinical MessageWhen a patient complains of nausea, gastrointestinal endoscopy tends to be the first‐choice diagnostic method. However, physicians must rule out the possibility of aneurysm rupture by careful physical assessment before performing gastrointestinal endoscopy, which can be extremely dangerous.
Energetic Effects of a Closed System Approach Including Explicit Proton and Electron Acceptors as Demonstrated by a Mononuclear Ruthenium Water Oxidation Catalyst
Authors: de Ruiter Jessica M. , de Groot Huub J. M. , Buda Francesco 
Published: August 2018

AbstractWhen considering water oxidation catalysis theoretically, accounting for the transfer of protons and electrons from one catalytic intermediate to the next remains challenging: correction factors are usually employed to approximate the energetics of electron and proton transfer. Here these energetics were investigated using a closed system approach, which places the catalytic intermediate in a simulation box including proton and electron acceptors, as well as explicit solvent. As a proof of principle, the first two catalytic steps of the mononuclear ruthenium‐based water oxidation catalyst [Ru(cy)(bpy)(H2O)]2+ were examined using Car‐Parrinello Molecular Dynamics. This investigation shows that this approach offers added insight, not only into the free energy profile between two stable intermediates, but also into how the solvent environment impacts this dynamic evolution.
Silica Support‐Enhanced Pd‐Catalyzed Allylation Using Allylic Alcohols
Authors: Motokura Ken , Ikeda Marika , Kim Minjune , Nakajima Kiyotaka , Kawashima Sae , Nambo Masayuki , Chun Wang‐Jae , Tanaka Shinji 
Published: August 2018

AbstractAlthough allylation using allylic alcohol is an environmentally‐friendly method because of water being the sole byproduct in such reactions, allylic alcohol is one of the most difficult allylating agents in Pd‐catalyzed allylation of nucleophiles. In this study, we successfully developed a mesoporous silica‐supported Pd complex as an efficient catalyst for the allylation of nucleophiles using allylic alcohols as allylating agents. The allylic alcohol is activated by the silanol group on the support surface, which easily undergoes a π‐allylpalladium intermediate formation. The catalytic activity of the supported Pd complex was ca. 9 times higher than that of its homogeneous precursor Pd complex. A highest turnover number of 4500 based on Pd was achieved. Various nucleophiles and allylic alcohol derivatives could be used as substrates. Not only the detailed catalyst structure but also the reaction mechanism including the concerted activation of allylic alcohol by the Pd complex and silanol were investigated by several spectroscopic techniques, such as Pd K‐edge XAFS, solid‐state NMR, and in‐situ FT‐IR measurements.
Validation of Models Predicting Nucleation Rates from Induction Times and Metastable Zone Widths
Authors: Maosoongnern Somchai , Flood Adrian E. 
Published: August 2018

AbstractThree approaches for estimation of nucleation rates from induction time and metastable zone width (MSZW) were validated based on directly measured nucleation rates for paracetamol in ethanol. To quantitatively predict nucleation kinetics using Kubota's methods it is necessary to know the minimum detectable number concentration of nuclei. This was found by determination of light transmission of a series of diluted suspensions of newly nucleated crystals where the size had already been assessed by optical reflection measurement (ORM). The measured nucleation rates strongly depended on both temperature and supersaturation. The Nyvlt method predicted nucleation rates in this system reasonably well; however, it gave slightly low estimates for all temperatures. The methods of Kubota provided nucleation rates that were low by an order of magnitude.
A new estimator for the covariance of the PLS coefficients estimator with applications to chemical data
Authors: Martínez José L. , Leiva Víctor , Saulo Helton , Ruggeri Fabrizio , Arteaga Gean C. 
Published: August 2018

AbstractPartial least squares (PLS) regression is a multivariate technique developed to solve the problem of multicollinearity and high dimensionality in explanatory variables. Several efforts have been made to improve the estimation of the covariance matrix of the PLS coefficients estimator. We propose a new estimator for this covariance matrix and prove its unbiasedness and consistency. We conduct a Monte Carlo simulation study to compare the proposed estimator and one based on the modified jackknife method, showing the advantages of the new estimator in terms of accuracy and computational efficiency. We illustrate the proposed method with three univariate and multivariate real‐world chemical data sets. In these illustrations, important findings are discovered because the conclusions of the studies change drastically when using the proposed estimation method in relation to the standard method, implying a change in the decisions to be made by the chemical practitioners.