bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nanofiltration thin‐film composite membrane on either the internal or the external surface of a polysulfone hollow fiber
Authors: Echaide‐Górriz Carlos , Malankowska Magdalena , Téllez Carlos , Coronas Joaquín 
Published: March 2020

AbstractThe inner and outer surfaces of a porous hollow fiber polysulfone support are compared as substrates for the synthesis of polyamide thin‐film composite (TFC) membranes by interfacial polymerization. While both surfaces have pores common of microfiltration membranes, the inner surface has a larger pore diameter than the outer surface (2,700 nm compared to 950 nm). The inner TFC membrane showed higher water nanofiltration permeance than the outer (2.20 ± 0.17 compared to 0.13 ± 0.03 L m−2 hr−1 bar−1). This was due to the influence of the porosity and roughness, which were different on both support surfaces. These membranes are interesting because they were synthesized in a hollow fiber support with a high membrane area per volume unit (~6,900 m2/m3) and the substrate used was commercial, which means that the TFC membrane obtained is suitable for industrial application. A mathematical simulation of the nanofiltration run with COMSOL Multiphysics 5.3 software confirmed the experimental trends observed.
A Silica Bilayer Supported on Ru(0001): Following the Crystalline‐to Vitreous Transformation in Real Time with Spectro‐microscopy
Authors: Klemm Hagen W. , Prieto Mauricio J. , Xiong Feng , Hassine Ghada B. , Heyde Markus , Menzel Dietrich , Sierka Marek , Schmidt Thomas , Freund Hans‐Joachim 
Published: March 2020

AbstractThe crystalline‐to‐vitreous phase transformation of a SiO2 bilayer supported on Ru(0001) was studied by time‐dependent LEED, local XPS, and DFT calculations. The silica bilayer system has parallels to 3D silica glass and can be used to understand the mechanism of the disorder transition. DFT simulations show that the formation of a Stone–Wales‐type of defect follows a complex mechanism, where the two layers show decoupled behavior in terms of chemical bond rearrangements. The calculated activation energy of the rate‐determining step for the formation of a Stone—Wales‐type of defect (4.3 eV) agrees with the experimental value. Charge transfer between SiO2 bilayer and Ru(0001) support lowers the activation energy for breaking the Si−O bond compared to the unsupported film. Pre‐exponential factors obtained in UHV and in O2 atmospheres differ significantly, suggesting that the interfacial ORu underneath the SiO2 bilayer plays a role on how the disordering propagates within the film.
Stereospecific Asymmetric Synthesis of Tertiary Allylic Alcohol Derivatives by Catalytic [2,3]‐Meisenheimer Rearrangements
Authors: Yu Xin , Wannenmacher Nick , Peters René 
Published: March 2020

AbstractChiral acyclic tertiary allylic alcohols are very important synthetic building blocks, but their enantioselective synthesis is often challenging. A major limitation in catalytic asymmetric 1,2‐addition approaches to ketones is the enantioface differentiation by steric distinction of both ketone residues. Herein we report the development of a catalytic asymmetric Meisenheimer rearrangement to overcome this problem, as it proceeds in a stereospecific manner. This allows for high enantioselectivity also for the formation of products in which the residues at the generated tetrasubstituted stereocenter display a similar steric demand. Low catalyst loadings were found to be sufficient and the reaction conditions were mild enough to tolerate even highly reactive functional groups, such as an enolizable aldehyde, a primary tosylate, or an epoxide. Our investigations suggest an intramolecular rearrangement pathway.
Solvent‐Free Self‐Assembly for Scalable Preparation of Highly Crystalline Mesoporous Metal Oxides
Authors: Xiong Hailong , Zhou Hongru , Sun Ge , Liu Zhilin , Zhang Liangliang , Zhang Ling , Du Fei , Qiao Zhen‐An , Dai Sheng 
Published: March 2020

AbstractMesoporous metal oxides (MMOs) have been demonstrated great potential in various applications. Up to now, the direct synthesis of MMOs is still limited to the solvent induced inorganic‐organic self‐assembly process. Here, we develop a facile, general, and high throughput solvent‐free self‐assembly strategy to synthesize a series of MMOs including single‐component MMOs and multi‐component MMOs (e.g., doped MMOs, composite MMOs, and polymetallic oxide) with high crystallinity and remarkable porous properties by grinding and heating raw materials. Compared with the traditional solution self‐assembly process, the avoidance of solvents in this method not only greatly increases the yield of target products and synthesis efficiency, but also reduces the environmental pollution and the consumption of cost and energy. We believe the presented approach will pave a new avenue for scalable production of advanced mesoporous materials for various applications.
Chemical anisotropy of the cosmic microwave background radiation
Authors: Chyla W. T. 
Published: March 2020

AbstractIt is shown how the large‐scale inhomogeneous distribution of chemical elements in the primordial medium contributes to temperature fluctuations of the cosmic microwave background radiation (CMB). The magnitude of the chemical anisotropy of the CMB, which is sensitive to the absolute and relative abundance of chemical elements at the time of decoupling, is compared with the primary Sachs‐Wolfe anisotropy of the CMB in the baryon acoustic oscillations scale, which shows that the two effects are of similar importance.
Probeinstandsetzung einer Wehrpfeilerdecke am Eidersperrwerk
Authors: Dridiger Wladimir , Walz Marcus 
Published: March 2020

AbstractDie Arbeiten am größten deutschen Küstenschutzbauwerk stellten für das ausführende Unternehmen ZÜBLIN eine große Herausforderung dar. Die Decken aller vier Wehrpfeiler des Eidersperrwerks müssen instand gesetzt werden. Zur Beurteilung des tatsächlichen Schädigungsgrads sowie des Arbeitsaufwands und die Optimierung des Instandsetzungskonzepts wurde die Decke des Wehrpfeilers 2 probeweise instand gesetzt. Durch hohe Anforderungen hinsichtlich der Qualität und des Bauablaufs war eine bis ins kleinste Detail ausgearbeitete Terminplanung notwendig. Zudem erschwerten die aufgrund der geografischen Lage vorhandenen äußeren Rahmenbedingungen die Bauarbeiten. Wind und Wetter, die Begrenzung der Bauzeit durch den Einbruch der Sturmflutsaison und die Aufrechterhaltung des Betriebs sowie der Zugänglichkeit des Bauwerks erforderten verstärkte Schutzmaßnahmen und eine enge Abstimmung aller Beteiligten. Der unerwartete Fund von oberflächennahen Spanngliedern und Spannglocken bedurfte eine umfassende Anpassung der geplanten Bauverfahren. Die vollständige Umplanung der Dehnfugenkonstruktion sowie der Einsatz von auf diesen speziellen Anwendungsfall optimal abgestimmten Materialien ermöglichten einen erfolgreichen Abschluss des Bauvorhabens.
3D Periodic Ion Transport Channel to Suppress Top Deposition toward Stable Lithium Metal Anode
Authors: Pan Linhai , Wang Jian , Luo Zhifu , Zhao Zehua , Li Yanyan , Egun Ishioma , He Haiyong 
Published: March 2020

Abstract3D structures have been widely used to suppress dendritic growth for stabilizing lithium metal anode. Unfortunately, it is hard to avoid lithium metal depositing on top of the framework, causing framework to lose its function. Here, we constructed a 3D periodic TiO2 framework (3D‐TiO2) on copper foil using polystyrene beads as template. The poor conductivity of TiO2 makes metallic lithium to nucleate on copper surface under framework. Combining with 3D periodic channels for fast ion transport, lithium metal gradually filled the whole space of framework. No lithium metal appeared on surface of 3D‐TiO2 electrode before filling up inner space. Meanwhile, large space provided by interconnected framework can ensure high loading of lithium, thereby suppressing the volume fluctuation during cycling. Additionally, batteries assembled by 3D‐TiO2 electrode exhibited excellent rate capability, owning to the fast ion transport supplied by 3D periodic structure. We believe that the combination of high capacity and frequency response in lithium metal anode could meet the challenge of the currently available devices.
„Trotz mancher Schwierigkeiten“. Zu den Auslandsreisen deutscher Geisteswissenschaftler zwischen 1933 und 1945
Authors: Albrecht Andrea , Klausnitzer Ralf 
Published: March 2020

AbstractIn the years of National Socialism, and even during World War II, German scientists traveled abroad extensively. While international travels by natural scientists were studied in some detail, travels by scholars in the humanities have been studied to a much lesser degree, even though travel documents offer valuable insights into the regulated internationality of National Socialism. – We provide a first overview of international travels of scholars in the humanities between 1933 and 1945. The examples demonstrate how travelling academics dealt with conflicting expectations, justified their intentions, articulated disappointment, offered pragmatic advice for the further shaping of contacts abroad, and in this way became active participants of the resource ensemble of academia and politics. The study is based on extensive material from the political archive of the Auswärtiges Amt and the archive of the Reichsministerium für Wissenschaft, Erziehung und Volksbildung from the Bundesarchiv which to this date have been hardly explored.
On a class of non‐linear transformation cure rate models
Authors: Balakrishnan Narayanaswamy , Milienos Fotios S. 
Published: March 2020

AbstractIn this paper, we propose a generalization of the mixture (binary) cure rate model, motivated by the existence of a zero‐modified (inflation or deflation) distribution, on the initial number of causes, under a competing cause scenario. This non‐linear transformation cure rate model is in the same form of models studied in the past; however, following our approach, we are able to give a realistic interpretation to a specific class of proper transformation functions, for the cure rate modeling. The estimation of the parameters is then carried out using the maximum likelihood method along with a profile approach. A simulation study examines the accuracy of the proposed estimation method and the model discrimination based on the likelihood ratio test. For illustrative purposes, analysis of two real life data‐sets, one on recidivism and another on cutaneous melanoma, is also carried out.
Engineering d‐Lactate Dehydrogenase to Favor an Non‐natural Cofactor Nicotinamide Cytosine Dinucleotide
Authors: Liu Yuxue , Li Qing , Wang Lei , Guo Xiaojia , Wang Junting , Wang Qian , Zhao Zongbao K. 
Published: March 2020

AbstractSynthetic nicotinamide adenine dinucleotide (NAD) analogues are of great scientific and biotechnological interest. One such analogue, nicotinamide cytosine dinucleotide (NCD), has been successfully applied to creating bioorthogonal redox systems. Yet, only a few redox enzymes have been devised to favor NCD. We have engineered Lactobacillus helveticus‐derived NAD‐dependent d‐lactate dehydrogenase (LhDLDH) to favor NCD by semirational design. Sequence alignment and structural analysis revealed that amino acid residues I177 and N213 form a “gate” guarding the NAD adenine moiety binding cavity. Saturated mutagenesis libraries were constructed by using the mutant LhDLDH‐V152R as the parental sequence. Mutants were obtained with good catalytic efficiency, and NCD preference increased by up to 940‐fold. Experiments showed that Escherichia coli cells expressing mutants with higher NCD preference afforded much less d‐lactate, thus suggesting the potential to construct NCD‐mediated orthogonal metabolism.
β‐Diketonate versus β‐Ketoiminate: The Importance of a Ferrocenyl Moiety in Improving the Anticancer Potency
Authors: Allison Matthew , Wilson Daniel , Pask Christopher M. , McGowan Patrick C. , Lord Rianne M. 
Published: March 2020

AbstractHerein we present a library of fully characterized β‐diketonate and β‐ketoiminate compounds that are functionalized with a ferrocenyl moiety. Their cytotoxic potential has been determined by screening against human breast adenocarcinomas (MCF‐7 and MDA‐MB‐231), human colorectal carcinoma p53 wild type (HCT116 p53+/+) and normal human prostate (PNT2) cell lines. The ferrocenyl β‐diketonate compounds are more than 18 times more cytotoxic than the ferrocenyl β‐ketoiminate analogues. Against MCF‐7, compounds functionalized at the meta position are up to nine times more cytotoxic than when functionalized at the para position. The ferrocenyl β‐diketonate compounds have increased selectivity towards MCF‐7 and MDA‐MB‐231, with several complexes having selectivity index (SI) values that are more than nine times (MCF‐7) and more than six times (MDA‐MB‐231) that of carboplatin. The stability of these compounds in dimethyl sulfoxide (DMSO) and dimethylformamide (DMF) has been assessed by NMR spectroscopy and mass spectrometry studies, and the compounds show no oxidation of the iron center from FeII to FeIII. Cytotoxicity screening was performed in both DMSO and DMF, with no significant differences observedin their potency.
Aggregation‐Induced Improvement of Catalytic Activity by Inner‐Aggregate Electronic Communication of Metal‐Fullerene‐Based Surfactants
Authors: Kunkel Marius , Bitter Stefan , Sailer Frank , Winter Rainer F. , Polarz Sebastian 
Published: March 2020

AbstractA paradigm for active constituents in (homogeneous) catalysis is that optimum performance requires maximum dispersion. Generally, aggregation results in a decline. This is a different case in supramolecular catalysis. A new concept based on surfactants equipped with functional heads is presented, which becomes a more active catalyst itself upon aggregation. The head group of the surfactants is composed of a diethylenetriamine‐functionalized fullerene capable of coordinating to catalytically active metals like CoII. The improvement of catalytic properties upon aggregation is demonstrated via electrocatalytic water‐splitting reaction as a model system. Detailed electrochemistry studies were performed at concentrations below and above the critical aggregation concentration (cac). While isolated surfactant molecules represent only moderately active catalysts, drastic improvement of efficiency in the hydrogen evolution (HER) as well as in the oxygen evolution reactions (OER) were detected, once vesicular structures have formed. Self‐organization of the surfactants leads to an increase in turnover frequencies of up to 1300 % (HER). The strongly beneficial effect of aggregation arises from the favorable alignment of individual molecules, thus, facilitating intermolecular charge transfer processes in the vesicles.
An Overview of Recent Electroanalytical Applications Utilizing Screen‐Printed Electrodes Within Flow Systems
Authors: Squissato André L. , Munoz Rodrigo A. A. , Banks Craig E. , Richter Eduardo M. 
Published: March 2020

AbstractThis review addresses the use of screen‐printed electrodes (SPEs) coupled to flow systems such as flow injection analysis (FIA), batch injection analysis (BIA), and high‐performance liquid chromatography (HPLC) systems over the last six years (since 2014). The combination of SPEs and flow systems is a powerful synergy to increase the throughput of measurements, improve electrode lifetime, and reduce reagent consumption and waste generation. Recently, commercial flow cells for SPEs were made available by different companies and potential new users that are unable to construct homemade electrochemical flow cells have been attracted to work in the area. This overview aims to show both trends and future potential for the development of new methods useful for modern electroanalysis and/or portable applications.
Habits in organizational contexts: Information systems routines, cues, and rewards
Authors: Khatib Rima , Barki Henri 
Published: March 2020

AbstractThe objective of the present paper is to identify and develop a framework of IS habits that individuals tend to develop in organizational contexts. Based on Duhigg's (2012) framework of habit, the paper develops a new conceptualization of IS habit as a cue–routine–reward loop. The key difference between the proposed conceptualization and those that have been used in past research is its consideration of rewards as an essential element of habit. Based on the results of an exploratory study, the proposed framework of habits incorporates several categories of IS routines, cues, and rewards, as well as five propositions that explain how individual usage behaviours develop into IS habits. The paper's findings are also likely to help improve employee task performances.
Experimental methods in chemical engineering: Rheometry
Authors: Ghanbari Abbas , Mousavi Zeinab , Heuzey Marie‐Claude , Patience Gregory S. , Carreau Pierre J. 
Published: March 2020

AbstractRheometry is an experimental technique that measures the relationship between stresses, strains, and their derivatives of fluids and deformable materials. Capillary and Couette viscometers were among the first instruments used to study rheology but now sophisticated shear and extensional rheometers are widely available for quality control, research, and product development. Here, we introduce the basics of rheology, define material functions, and describe conventional instruments, physical principles, applications, and uncertainties. In 2016 and 2017, the Web of Science indexed 8400 articles that mention rheometry and a bibliometric map assigned the keywords into five clusters of research: behaviour and viscosity, mechanical properties and morphology, rheological properties and microstructure, polymers and nano‐particles, and visco‐elastic properties and mixtures. Journal of Rheology, Construction Building Materials, Food Hydrocolloids, Soft Matter, Rheologica Acta, and Journal of Applied Polymer Science publish at least 80 articles per year that mention rheometry.
Additional postdilatation using noncompliant balloons after everolimus‐eluting stent implantation: Results of the PRESS trial
Authors: Park Gyung‐Min , Lee Jae‐Hwan , Choi Si Wan , Jeong Jin‐Ok , Shin Eun‐Seok , Bae Jang‐Whan , Yoon Hyuck‐Jun , Jung Kyung Tae , Baek Ju Yeol , Choi Woong Gil , Choi Rak Kyeong , Her Sung‐Ho , Lee Jin Bae , Suh Jon , Lee Jae Beom , Lee Se‐Whan , Chae In‐Ho , Choi So‐Yeon , Seong In‐Whan 
Published: March 2020

AbstractBackgroundThere are limited data on the clinical value of routine postdilatation using noncompliant balloons after contemporary drug‐eluting stent implantation.HypothesisAdditional postdilatation using noncompliant balloons after everolimus‐eluting stent implantation could provide better clinical outcomes.MethodsWe randomly assigned 1774 patients with coronary artery disease to undergo additional high‐pressure postdilatation using noncompliant balloons and moderate‐pressure dilatation using stent balloons after everolimus‐eluting stent implantation. The primary endpoint was a composite of death, myocardial infarction (MI), stent thrombosis, and target vessel revascularization (TVR) 2 years after randomization.ResultsThe study was discontinued early owing to slow enrollment. In total, 810 patients (406 patients in the high pressure group and 404 in the moderate pressure group) were finally enrolled. At 2 years, the primary endpoint occurred in 3.6% of patients in the high pressure group and in 4.4% of those in the moderate pressure group (P = .537). In addition, no significant differences were observed between the two groups in the occurrence of an individual end point of death (0.8% in the high pressure group vs 1.5% in the moderate group, P = .304), MI (0.2% vs 0.5%, P = .554), stent thrombosis (0% vs 0.2%, P = .316), or TVR (2.8% vs 2.6%, P = .880).ConclusionsThe strategy of routine postdilatation using noncompliant balloons after everolimus‐eluting stent implantation did not provide incremental clinical benefits.
Cationic Biphotonic Lanthanide Luminescent Bioprobes Based on Functionalized Cross‐Bridged Cyclam Macrocycles
Authors: Mendy Jonathan , Thy Bui Anh , Roux Amandine , Mulatier Jean‐Christophe , Curton Damien , Duperray Alain , Grichine Alexei , Guyot Yannick , Brasselet Sophie , Riobé François , Andraud Chantal , Le Guennic Boris , Patinec Véronique , Tripier Pr. Raphael , Beyler Maryline , Maury Olivier 
Published: March 2020

AbstractCationic lanthanide complexes are generally able to spontaneously internalize into living cells. Following our previous works based on a diMe‐cyclen framework, a second generation of cationic water‐soluble lanthanide complexes based on a constrained cross‐bridged cyclam macrocycle functionalized with donor‐π‐conjugated picolinate antennas was prepared with europium(III) and ytterbium(III). Their spectroscopic properties were thoroughly investigated in various solvents and rationalized with the help of DFT calculations. A significant improvement was observed in the case of the Eu3+ complex, while the Yb3+ analogue conserved photophysical properties in aqueous solvent. Two‐photon (2P) microscopy imaging experiments on living T24 human cancer cells confirmed the spontaneous internalization of the probes and images with good signal‐to‐noise ratio were obtained in the classic NIR‐to‐visible configuration with the Eu3+ luminescent bioprobe and in the NIR‐to‐NIR with the Yb3+ one.
Kinetic Isotope Effect as a Tool To Investigate the Oxygen Reduction Reaction on Pt‐based Electrocatalysts – Part I: High‐loading Pt/C and Pt Extended Surface
Authors: George Thomas Y. , Asset Tristan , Avid Arezoo , Atanassov Plamen , Zenyuk Iryna V. 
Published: March 2020

AbstractThe front cover artwork is provided by the groups of Prof. Atanassov and Prof. Zenyuk (University of California Irvine, USA). The image shows rate‐determining step of oxygen reduction reaction on platinum nanoparticle supported by carbon, which requires electron transfer but no proton. Read the full text of the Article at 10.1002/cphc.201901091.
Knowledge representation and data sharing to unlock crop variation for nutritional food security
Authors: Andrés‐Hernández Liliana , Baten Abdul , Azman Halimi Razlin , Walls Ramona , King Graham J. 
Published: March 2020

AbstractMeeting the challenge of food and nutritional security requires ongoing innovation, particularly in managing dietary nutritional information for pre‐breeding analysis, selection, and cultivation of specific food crops and cultivars. At present, the ability to compare the relative nutritional value of crops is limited, with data management systems for most crops often inconsistent and poorly integrated. Here, we review generic efforts to standardize the description and management of crop trait data and discuss several issues currently constraining their exchange and comparison, with a focus on knowledge representation related to dietary nutrition. These issues include lack of consistency within or between crop specific databases, as well as limited data standardization and interoperability. At present, the use of common descriptors or controlled vocabularies between crops is fragmentary, with only partial implementation or uptake of formal ontologies, particularly for dietary nutritional composition. Although development of the existing Crop Ontology (CO) system has improved data sharing and reuse, it represents only a limited set of trait classes and crops. We identify the need for more robust and generic ontologies, particularly those that may address crop contributions to human dietary nutrition. We propose development of a Crop Dietary Nutrition Ontology (CDNO) as a robust structured controlled vocabulary for dietary nutritional composition and function, and provide examples of specific use cases and different end users who would benefit from using CDNO terms in their database searches. This development is likely to transform the way in which crops may be compared in terms of optimal dietary nutritional values.