bluuebunny/crossref_metadata_2025_split huggingface dataset:
3D Nanoprinting of Perovskites
Authors: Chen Mojun , Yang Jihyuk , Wang Zhenyu , Xu Zhaoyi , Lee Heekwon , Lee Hyeonseok , Zhou Zhiwen , Feng Shien‐Ping , Lee Sanghyeon , Pyo Jaeyeon , Seol Seung Kwon , Ki Dong‐Keun , Kim Ji Tae 
Published: September 2019

AbstractAs competing with the established silicon technology, organic–inorganic metal halide perovskites are continually gaining ground in optoelectronics due to their excellent material properties and low‐cost production. The ability to have control over their shape, as well as composition and crystallinity, is indispensable for practical materialization. Many sophisticated nanofabrication methods have been devised to shape perovskites; however, they are still limited to in‐plane, low‐aspect‐ratio, and simple forms. This is in stark contrast with the demands of modern optoelectronics with freeform circuitry and high integration density. Here, a nanoprecision 3D printing is developed for organic–inorganic metal halide perovskites. The method is based on guiding evaporation‐induced perovskite crystallization in mid‐air using a femtoliter ink meniscus formed on a nanopipette, resulting in freestanding 3D perovskite nanostructures with a preferred crystal orientation. Stretching the ink meniscus with a pulling process enables on‐demand control of the nanostructure's diameter and hollowness, leading to an unprecedented tubular‐solid transition. With varying the pulling direction, a layer‐by‐layer stacking of perovskite nanostructures is successfully demonstrated with programmed shapes and positions, a primary step for additive manufacturing. It is expected that the method has the potential to create freeform perovskite nanostructures for customized optoelectronics.
Understanding Rechargeable Battery Function Using In Operando Neutron Powder Diffraction
Authors: Liang Gemeng , Didier Christophe , Guo Zaiping , Pang Wei Kong , Peterson Vanessa K. 
Published: September 2019

AbstractThe performance of rechargeable batteries is influenced by the structural and phase changes of components during cycling. Neutron powder diffraction (NPD) provides unique and useful information concerning the structure–function relation of battery components and can be used to study the changes to component phase and structure during battery cycling, known as in operando measurement studies. The development and use of NPD for in operando measurements of batteries is summarized along with detailed experimental approaches that impact the insights gained by these. A summary of the information gained concerning battery function using in operando NPD measurements is provided, including the structural and phase evolution of electrode materials and charge‐carrying ion diffusion pathways through these, which are critical to the development of battery technology.
Design, Parameterization, and Implementation of Atomic Force Fields for Adsorption in Nanoporous Materials
Authors: Dubbeldam David , Walton Krista S. , Vlugt Thijs J. H. , Calero Sofia 
Published: September 2019

AbstractMolecular simulations are an excellent tool to study adsorption and diffusion in nanoporous materials. Examples of nanoporous materials are zeolites, carbon nanotubes, clays, metal‐organic frameworks (MOFs), covalent organic frameworks (COFs) and zeolitic imidazolate frameworks (ZIFs). The molecular confinement these materials offer has been exploited in adsorption and catalysis for almost 50 years. Molecular simulations have provided understanding of the underlying shape selectivity, and adsorption and diffusion effects. Much of the reliability of the modeling predictions depends on the accuracy and transferability of the force field. However, flexibility and the chemical and structural diversity of MOFs add significant challenges for engineering force fields that are able to reproduce experimentally observed structural and dynamic properties. Recent developments in design, parameterization, and implementation of force fields for MOFs and zeolites are reviewed.
Taming Interfacial Instability in Lithium–Oxygen Batteries: A Polymeric Ionic Liquid Electrolyte Solution
Authors: Liu Zhenjie , Huang Jun , Zhang Yantao , Tong Bo , Guo Feng , Wang Jiawei , Shi Yang , Wen Rui , Zhou Zhibin , Guo Limin , Peng Zhangquan 
Published: September 2019

AbstractThere is a growing concern about the cyclability and safety, in particular, of the high‐energy density lithium–metal batteries. This concern is even greater for Li–O2 batteries because O2 that is transported from the cathode to the anode compartment, can exacerbate side reactions and dendrite growth of the lithium metal anode. The key to solving this dilemma lays in tailoring the solid electrolyte interphase (SEI) formed on the lithium metal anode in Li–O2 batteries. Here it is reported that a new electrolyte, formed from LiFSI as the salt and a mixture of tetraethylene glycol dimethyl ether and polymeric ionic liquid of P[C5O2NMA,11]FSI as the solvent, can produce a stable electrode (both cathode and anode)|electrolyte interface in Li–O2 batteries. Specifically, this new electrolyte, when in contact with lithium metal anodes, has the ability to produce a uniform SEI with high ionic conductivity for Li+ transport and desired mechanical property for suppression of dendritic lithium growth. Moreover, the electrolyte possesses a high oxidation tolerance that is very beneficial to the oxygen electrochemistry on the cathode of Li–O2 batteries. As a result, enhanced reversibility and cycle life are realized for the resultant Li–O2 batteries.
Nonpolar Alkanes Modify Lithium‐Ion Solvation for Improved Lithium Deposition and Stripping
Authors: Amanchukwu Chibueze V. , Kong Xian , Qin Jian , Cui Yi , Bao Zhenan 
Published: September 2019

AbstractLithium metal batteries have been plagued by the high reactivity of lithium. Reactive additives that can passivate the lithium metal surface and limit electrolyte accessibility to a fresh lithium surface have been widely explored, but can have limited utility with continuous consumption of the additive. In this work, an alternative strategy is explored. The use of nonreactive cosolvents such as nonpolar alkanes is studied and its is shown that hexane and cyclohexane addition to ether solvents (1,3‐dioxolane and 1,2‐dimethoxyethane) halves the nucleation and growth overpotentials for lithium deposition, increases the cell coulombic efficiency, improves the lithium deposition morphology, increases the electrolyte oxidative stability (>0.2 V), and doubles the cycle life—even when compared to a widely used fluorinated ether. The nonpolar alkanes modify the lithium‐ion solvation environment and reduce the solvation free energy; hence reducing the reaction barrier for lithium deposition. Exploration of nonpolar alkanes as part of the electrolyte mixture is a promising strategy for controlling metal deposition.
Differences in suicidal behaviors between self‐employed and standardly employed workers
Authors: Min Jin‐Young , Kim HyeJin , Park Shin‐Goo , Hwang Sang Hee , Min Kyoug‐Bok 
Published: September 2019

AbstractBackgroundAlthough self‐employed persons have greater autonomy, schedule flexibility, and control over their work than employees, they may be among the most vulnerable workers due to the lack of social benefits and protection from labor law and regulations. We compared suicidal behaviors between the self‐employed and standardly employed workers.MethodsThis study used the 2008 Korean Community Health Survey data and included a total of 64 802 working population. Self‐employed persons were classified into “small business self‐employed persons” with zero to four employees and “middle to large business” with more than five employees. The outcomes were suicidal ideation and suicide attempts.ResultsOf the 64 802 participants, 40 422 were engaged in standard employment, and 24 380 were self‐employed, with almost 90% (n = 21 970) being engaged in small businesses. Persons self‐employed, compared with standard workers, were more likely to report suicidal ideation in both small (odds ratio [OR] = 1.25; 95% confidence interval [CI], 1.15‐1.35) and middle to large businesses (OR = 1.32; 95% CI, 1.09‐1.61). On the other hand, the likelihood for suicide attempt was only significant in persons self‐employed in small businesses (OR = 1.67; 95% CI, 1.11‐2.45).ConclusionSelf‐employed persons were associated with greater odds of reporting suicidal behaviors than workers with standard employment. Among the self‐employed, small business owners were particularly vulnerable to suicide attempts.
Fuel‐Driven Transient Crystallization of a Cucurbit[8]uril‐Based Host–Guest Complex
Authors: Choi Seoyeon , Mukhopadhyay Rahul Dev , Kim Younghoon , Hwang In‐Chul , Hwang Wooseup , Ghosh Suman Kr , Baek Kangkyun , Kim Kimoon 
Published: September 2019

AbstractTransient self‐assembling systems often suffer from accumulation of chemical wastes that interfere with the formation of pristine self‐assembled products in subsequent cycles. Herein, we report the transient crystallization of a cucurbit[8]uril‐based host‐guest complex, preventing the accumulation of chemical wastes. Base‐catalyzed thermal decarboxylation of trichloroacetic acid that chemically fuels the crystallization process dissolves the crystals, and produces volatile chemical wastes that are spontaneously removed from the solution. With such self‐clearance process, no significant damping in the formation of the crystals was observed. The morphology and structural integrity of the crystals was also maintained in subsequent cycles. The concept may be further extended to obtain other temporally functional materials, quasicrystals, etc., based on stimuli‐responsive guest molecules.
Trismaleimide Dendrimers: Helix‐to‐Superhelix Supramolecular Transition Accompanied by White‐Light Emission
Authors: Li Fen , Li Xiaohui , Wang Ying , Zhang Xin 
Published: September 2019

AbstractReported here are unprecedented fluorescent superhelices composed of primary, supramolecular polymers of the opposite helical twist. A new class of functional dendrimers was synthesized by amino‐ene click reactions, and they demonstrate an alternating OFF/ON fluorescence with generation growth. A peripherally alkyl‐modified dendrimer displays helix‐sense‐selective supramolecular polymerization, which predominantly forms right‐handed (or left‐handed) helical supramolecular polymers in the solution containing chiral solvents. With increasing the concentration, these primary helical supramolecular polymers spontaneously twist around themselves in the opposite direction to form superhelical structures. Atomic force microscopy and circular dichroism measurements were used to directly observe the helix‐to‐superhelix transition occurring with a reversal in the helical direction. Exceptional white‐light emission was observed during superhelix formation.
Synthesis of β‐amino acid derivatives and their inhibitory profiles against some metabolic enzymes
Authors: Atmaca Ufuk , Daryadel Shahla , Taslimi Parham , Çelik Murat , Gülçin İlhami 
Published: September 2019

AbstractSulfamate and its derivatives have a range of biological activities. One‐pot cyclocondensation of alkenes (1a–i) with chlorosulfonyl isocyanate generates β‐lactams. β‐Amino acid derivatives (2a–i) from β‐lactams were synthesized. Then, these highly reactive compounds were opened with MeOH to produce the corresponding sulfamate derivatives in good yields. The inhibitory effects of the novel sulfamate derivatives were tested on human carbonic anhydrase I and II isoenzymes (hCA I and hCA II), acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and α‐glycosidase (α‐Gly). Novel sulfamate derivatives showed Ki values in the range of 23.81–42.97 nM against hCA I, 8.95–52.23 nM against hCA II, 8.10–45.51 nM against AChE, 23.16–81.84 nM against BChE, and 14.02–48.68 nM against α‐Gly. As a result, the novel sulfamate derivatives had potent inhibitory effects against both isoenzymes. Overall, due to the inhibitory effects of the novel sulfamate derivatives on the tested metabolic enzymes, they are promising drug candidates for the treatment of diseases like glaucoma, epilepsy, leukemia, Alzheimer's disease, and type 2 diabetes mellitus, which are associated with high enzymatic activity of the indicated metabolic enzymes.
Logistische Punktlandung
Authors: Endres Jörg , Pigorsch Jörg 
Published: September 2019

AbstractDie Sanierung der großen Start‐ und Landebahn am Flughafen Köln/Bonn war für alle Projektbeteiligten eine echte Herkulesaufgabe und erforderte in puncto Logistik neue Ansätze und Denkweisen, um diese anspruchsvolle Aufgabe zu meistern. Der Flughafen Köln/Bonn verfügt über insgesamt drei Start‐/Landebahnen und ist mit rd. 860 000 t Fracht pro Jahr der drittgrößte Frachtflughafen und mit 12,9 Mio. Passagieren der siebtgrößte Verkehrsflughafen in Deutschland. Die Generalsanierung der 3 815 m langen und 60 m breiten Start‐ und Landebahn wurde seit 2014 vom Flughafen geplant, um nach der letzten umfangreichen Sanierung 1995 die oberen Asphaltschichten zu erneuern und die RWY auf den neuesten Stand der Technik gemäß den europäischen Vorschriften für Flughäfen, der Grundverordnung der EASA, zu bringen. Für die Tiefbauleistungen standen nur 18 Wochenenden à 30 h zur Verfügung. Das entspricht einer Nettobauzeit von lediglich 540 h mit der zusätzlichen Herausforderung, den Flugbetrieb an jedem Sonntag um 18 Uhr wieder aufzunehmen. Die Langstreckenfrachtflugzeuge waren bereits in der Luft, während die Bauarbeiten noch liefen
Deubiquitinating Enzymes in Model Systems and Therapy: Redundancy and Compensation Have Implications
Authors: Zachariah Sarah , Gray Douglas A. 
Published: September 2019

AbstractThe multiplicity of deubiquitinating enzymes (DUBs) encoded by vertebrate genomes is partly attributable to whole genome duplication events that occurred early in chordate evolution. By surveying the literature for the largest family of DUBs (the ubiquitin‐specific proteases), extensive functional redundancy for duplicated genes has been confirmed as opposed to singletons. Dramatically conflicting results have been reported for loss of function studies conducted through RNA interference as opposed to inactivating mutations, but the contradictory findings can be reconciled by a recently proposed compensatory mechanism involving nonsense‐mediated RNA degradation. Duplicated genes are often inactivated to become pseudogenes, and it is proposed that such is the fate of the USP15 gene of zebrafish, a commonly used model system. As it is reviewed here, these observations have implications not only for the interpretation of model system phenotypes but also for therapeutic interventions designed to target DUBs.
A multiple comparison procedure for dose‐finding trials with subpopulations
Authors: Thomas Marius , Bornkamp Björn , Posch Martin , König Franz 
Published: September 2019

AbstractIdentifying subgroups of patients with an enhanced response to a new treatment has become an area of increased interest in the last few years. When there is knowledge about possible subpopulations with an enhanced treatment effect before the start of a trial it might be beneficial to set up a testing strategy, which tests for a significant treatment effect not only in the full population, but also in these prespecified subpopulations. In this paper, we present a parametric multiple testing approach for tests in multiple populations for dose‐finding trials. Our approach is based on the MCP‐Mod methodology, which uses multiple comparison procedures (MCPs) to test for a dose–response signal, while considering multiple possible candidate dose–response shapes. Our proposed methods allow for heteroscedastic error variances between populations and control the family‐wise error rate over tests in multiple populations and for multiple candidate models. We show in simulations that the proposed multipopulation testing approaches can increase the power to detect a significant dose–response signal over the standard single‐population MCP‐Mod, when the specified subpopulation has an enhanced treatment effect.
Joint model for recurrent event data with a cured fraction and a terminal event
Authors: Kim Yang‐Jin 
Published: September 2019

AbstractIn a longitudinal study where the recurrence of an event and a terminal event such as death are observed, a certain portion of the subjects may experience no event during a long follow‐up period; this often denoted as the cure group which is assumed to be the risk‐free from both recurrent events and death. However, this assumption ignores the possibility of death, which subjects in the cure group may experience. In the present study, such misspecification is investigated with the addition of a death hazard model to the cure group. We propose a joint model using a frailty effect, which reflects the association between a recurrent event and death. For the estimation, an expectation‐maximization (EM) algorithm was developed and PROC NLMIXED in SAS was incorporated under a piecewise constant baseline. Simulation studies were performed to check the performance of the suggested method. The proposed method was applied to leukemia patients experiencing both infection and death after bone marrow transplant.
Integrated evaluation of targeted and non‐targeted therapies in a network meta‐analysis
Authors: Proctor Tanja , Jensen Katrin , Kieser Meinhard 
Published: September 2019

AbstractIndividualized therapies for patients with biomarkers are moving more and more into the focus of research interest when developing new treatments. Hereby, the term individualized (or targeted) therapy denotes a treatment specifically developed for biomarker‐positive patients. A network meta‐analysis model for a binary endpoint combining the evidence for a targeted therapy from individual patient data with the evidence for a non‐targeted therapy from aggregate data is presented and investigated. The biomarker status of the patients is either available at patient‐level in individual patient data or at study‐level in aggregate data. Both types of biomarker information have to be included. The evidence synthesis model follows a Bayesian approach and applies a meta‐regression to the studies with aggregate data. In a simulation study, we address three treatment arms, one of them investigating a targeted therapy. The bias and the root‐mean‐square error of the treatment effect estimate for the subgroup of biomarker‐positive patients based on studies with aggregate data are investigated. Thereby, the meta‐regression approach is compared to approaches applying alternative solutions. The regression approach has a surprisingly small bias even in the presence of few studies. By contrast, the root‐mean‐square error is relatively greater. An illustrative example is provided demonstrating implementation of the presented network meta‐analysis model in a clinical setting.
UTCPredictor: An uncertainty‐aware novel teaching cases predictor
Authors: Wu Xiaoxue , Zheng Wei , Mu Dejun , Li Ning 
Published: September 2019

AbstractTeaching cases are crucial for computer science (e.g., software testing) teaching. With the fast development of computer science, old and outdated teaching cases cannot meet the requirements of teaching. Therefore, teachers need to update teaching case repository continually and timely. However, teaching case development is an extremely time‐consuming work. Given today's complex and fast‐moving environment of computer science, teachers often feel blind about about what types of cases should be added for teaching. This paper presents UTCPredictor—an automated approach of predicting novel teaching cases from real production by identifying the most uncertain data, which are always with new features that reflect the latest developments and trends in the field. The implementation of UTCPredictor is based on the idea of interactive machine learning as well as several text mining techniques. To evaluate the effectiveness of UTCPredictor, we take bug report case building in software testing teaching as an example, using UTCPredictor to perform 10‐fold cross‐validation on an existing teaching case set. The performance in terms of indicators; Recall, Precision, and F1‐score, achieved three very competitive values—0.91, 0.94, and 0.85, respectively. We further evaluate the effectiveness of UTCPredictor through a user study and a questionnaire. The results are very positive; the user study indicates that educators can build a teaching case set from latest bug report repository by spending only 8.16%–18.11% time costs compared with traditional manual approach; the responses from 2,000 students for the questionnaire show that the teaching cases built with UTCPredictor are very popular among students.
Antibiotic‐Potentiating Activity of Phanostenine Isolated from Cissampelos sympodialisEichler
Authors: Cunha Walmir E. M. , Camilo Cicera J. , de F. A. Nonato Carla , Mendes Johnatan W. S. , de Carvalho Natália K. G. , Coutinho Henrique D. M. , Menezes Irwin R. A. , de Lemos Telma L. G. , Braz‐Filho Raimundo , Rodrigues Fabiola F. G. , Matias Edinardo F. F. , Zengin Gokhan , Costa José G. M. 
Published: September 2019

AbstractCissampelos sympodialis Eichler is well studied and investigated for its antiasthmatic properties, but there are no data in the literature describing antibacterial properties of alkaloids isolated from this botanical species. This work reports the isolation and characterization of phanostenine obtained from roots of C. sympodialis and describes for the first time its antimicrobial and antibiotic modulatory properties. Phanostenine was first isolated from Cissampelos sympodialis and its antibacterial activities were determined. Chemical structures of the alkaloid isolate were determined using spectroscopic and chemical analyses. Phanostenine was also tested for its antibacterial activity against standard strains and clinical isolates of Escherichia coli and Staphylococcus aureus. Minimal inhibitory concentration (MIC) was determined in a microdilution assay and for the evaluation of antibiotic resistance‐modifying activity. MIC of the antibiotics was determined in the presence or absence of phanostenine at sub‐inhibitory concentrations. The evaluation of antibacterial activity by microdilution assay showed activity for all strains with better values against S. aureus ATCC 12692 and E. coli 27 (787.69 mm). The evaluation of aminoglycoside antibiotic resistance‐modifying activity showed reduction in the MIC of the aminoglycosides (amikacin, gentamicin and neomycin) when associated with phanostenine, MIC reduction of antibiotics ranging from 21 % to 80 %. The data demonstrated that phanostenine possesses a relevant ability to modify the antibiotic activity in vitro. We can suggest that phanostenine presents itself as a promising tool as an adjuvant for novel antibiotics formulations against bacterial resistance.