bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Biomolecular Corona in 2D and Reverse: Patterning Metal–Phenolic Networks on Proteins, Lipids, Nucleic Acids, Polysaccharides, and Fingerprints
Authors: Yun Gyeongwon , Richardson Joseph J. , Capelli Marco , Hu Yingjie , Besford Quinn A. , Weiss Alessia C. G. , Lee Hojae , Choi Insung S. , Gibson Brant C. , Reineck Philipp , Caruso Frank 
Published: October 2019

AbstractThe adsorption of biomolecules onto nanomaterials can alter the performance of the nanomaterials in vitro and in vivo. Recent studies have primarily focused on the protein “corona”, formed upon adsorption of proteins onto nanoparticles in biological fluids, which can change the biological fate of the nanoparticles. Conversely, interactions between nanomaterials and other classes of biomolecules namely, lipids, nucleic acids, and polysaccharides have received less attention despite their important roles in biology. A possible reason is the challenge associated with investigating biomolecule interactions with nanomaterials using current technologies. Herein, a protocol is developed for studying bio–nano interactions by depositing four classes of biomolecules (proteins, lipids, nucleic acids, and polysaccharides) and complex biological media (blood) onto planar substrates, followed by exposure to metal–phenolic network (MPN) complexes. The MPNs preferentially interact with the biomolecule over the inorganic substrate (glass), highlighting that patterned biomolecules can be used to engineer patterned MPNs. Subsequent formation of silver nanoparticles on the MPN films maintains the patterns and endows the films with unique reflectance and fluorescence properties, enabling visualization of latent fingerprints (i.e., invisible residual biomolecule patterns). This study demonstrates the potential complexity of the biomolecule corona as all classes of biomolecules can adsorb onto MPN‐based nanomaterials.
Synthese quartärer Kohlenstoffzentren durch palladiumkatalysierte Dicarbofunktionalisierung
Authors: Koy Maximilian , Bellotti Peter , Katzenburg Felix , Daniliuc Constantin G. , Glorius Frank 
Published: October 2019

AbstractDie redoxneutrale Dicarbofunktionalisierung tri‐ und tetrasubstituierter Olefine zur Bildung verschiedener (hetero‐)cyclischer Verbindungen unter photoinduzierter Palladiumkatalyse wird beschrieben. Diese Kaskadenreaktion wurde verwendet, um zahlreiche an Aryl‐ oder Alkylbromide gebundene hochdekorierte Olefine mit Styrolen oder Acrylamiden zu kuppeln (>50 Beispiele). Durch dieses Protokoll können ein oder zwei zusammenhängende quartäre Kohlenstoffzentren in einem einzigen Schritt gebildet werden. Die Produkte ließen sich leicht diversifizieren und zur Synthese eines Analogons von bioaktiven Oxindolen verwenden.
The Thermal Rearrangement of an NHC‐Ligated 3‐Benzoborepin to an NHC‐Boranorcaradiene
Authors: Shimoi Masaki , Kevlishvili Ilia , Watanabe Takashi , Maeda Katsuhiro , Geib Steven J. , Curran Dennis P. , Liu Peng , Taniguchi Tsuyoshi 
Published: October 2019

AbstractAn N‐heterocyclic‐carbene‐ligated 3‐benzoborepin with a bridged structure has been synthesized by double radical trans‐hydroboration of benzo[3,4]cycloundec‐3‐ene‐1,5‐diyne with an N‐heterocyclic carbene borane. The thermal reaction of the NHC‐ligated borepin at 150 °C gives an isolable NHC‐boranorcaradiene. Experiments and density functional theory calculations support a mechanism whereby the borepin initially rearranges to a boranorcaradiene by a thermal 6π‐electrocyclic reaction. This is followed by 1,5‐boron shift to give a rearranged boranorcaradiene. This shift occurs with stereoinversion at boron through a transition state with open‐shell diradical character. This is the first example of the isolation of a boranorcaradiene from a thermal reaction of a borepin.
Parallele homochirale und antiparallele heterochirale Wasserstoffbrücken‐Interaktionsflächen in multihelikalen abiotischen Foldameren
Authors: Mazzier Daniela , De Soumen , Wicher Barbara , Maurizot Victor , Huc Ivan 
Published: October 2019

AbstractEine Wasserstoffbrücken‐Interaktionsfläche zwischen helikalen aromatischen Oligoamidfoldameren wurde gezielt entworfen, um die Bildung eines Helix‐Turn‐Helix‐Motivs mit einer Kopf‐zu‐Schwanz‐Anordnung zweier Helices unterschiedlicher Händigkeit zu ermöglichen. Dieses Design ist komplementär zu einem früheren Helix‐Turn‐Helix‐Motiv mit einer Kopf‐zu‐Kopf‐Anordnung zweier Helices identischer Händigkeit. Beide Motive zeigen eine vergleichbare Stabilität und führen, wenn sie miteinander kombiniert werden, zu einer unimolekularen Tetra‐Helix‐Anordnung, welche die bisher größte abiotische tertiäre Struktur darstellt.
Synthesis of All‐Carbon Quaternary Centers by Palladium‐Catalyzed Olefin Dicarbofunctionalization
Authors: Koy Maximilian , Bellotti Peter , Katzenburg Felix , Daniliuc Constantin G. , Glorius Frank 
Published: October 2019

AbstractThe redox‐neutral dicarbofunctionalization of tri‐ and tetrasubstituted olefins to form a variety of (hetero)cyclic compounds under photoinduced palladium catalysis is described. This cascade reaction process was used to couple styrenes or acryl amides with a broad range of highly decorated olefins tethered to aryl or alkyl bromides (>50 examples). This procedure enables one or two contiguous all‐carbon quaternary centers to be formed in a single step. The products could be readily diversified and applied in the synthesis of a bioactive oxindole analogue.
Mediating Reaction Orthogonality in Polymer and Materials Science
Authors: Corrigan Nathaniel , Ciftci Mustafa , Jung Kenward , Boyer Cyrille 
Published: October 2019

AbstractSelective control of chemical reactions is critical for the proper regulation of processes ranging from intricate biological systems to large scale industrial manufacturing. The progression of synthetic chemistry toward the complexity seen in Nature requires increased control over many concurrent chemical reactions in a non‐interfering (orthogonal) fashion. Fortunately, the practically endless pool of synthetic chemical reactions developed to date can often be combined in an orthogonal manner to provide elegant solutions to complex chemical problems. In this review, we first highlight some of the many photochemical reactions that have been applied in orthogonal reaction protocols; the highly selective nature of photochemical reactions makes them well‐suited for independent activation in the presence of other reaction components. The application of these orthogonal reactions, especially photochemical reactions, for the synthesis and modification of polymers and polymeric materials is also summarized. Importantly, the use of orthogonal chemical reactions can provide additional opportunities for synthesizing advanced and functional polymeric materials compared to traditional synthetic procedures.
Surface‐Polarity‐Induced Spatial Charge Separation Boosts Photocatalytic Overall Water Splitting on GaN Nanorod Arrays
Authors: Li Zheng , Zhang Liang , Liu Yong , Shao Chenyi , Gao Yuying , Fan Fengtao , Wang Junxi , Li Jinmin , Yan Janchang , Li Rengui , Li Can 
Published: October 2019

AbstractPhotocatalytic overall water splitting has been recognized as a promising approach to convert solar energy into hydrogen. However, most of the photocatalysts suffer from low efficiencies mainly because of poor charge separation. Herein, taking a model semiconductor gallium nitride (GaN) as an example, we uncovered that photogenerated electrons and holes can be spatially separated to the nonpolar and polar surfaces of GaN nanorod arrays, which is presumably ascribed to the different surface band bending induced by the surface polarity. The photogenerated charge separation efficiency of GaN can be enhanced significantly from about 8 % to more than 80 % via co‐exposing polar and nonpolar surfaces. Furthermore, spatially assembling reduction and oxidation cocatalysts on the nonpolar and polar surfaces remarkably boosts photocatalytic overall water splitting, with the quantum efficiency increased from 0.9 % for the film photocatalyst to 6.9 % for the nanorod arrays photocatalyst.
A novel drug loading and release from a thermoresponsive hydrogel formedin situemulsion polymerization
Authors: Zhao Xiaoyan , Debeli Dereje Kebebew , Shan Guorong 
Published: October 2019

ABSTRACTA facile thermoresponsive injectable hydrogel is prepared from stearyl methacrylate (SMA) andN‐isopropyl acrylamide (NIPAM) copolymers via reversible addition‐fragmentation chain‐transfer (RAFT) emulsion polymerization method. By regulating the content of the oil phase, emulsions with divergent properties are obtained. The yield stress and the viscosity results of the emulsions increase evidently as the initial content of the oil phase increase from 10 to 40%. The microstructures of 10% oil content sample (SN10) is seen as a dispersed particle whereas 20, 30, and 40% oil content samples (SN20, SN30, and SN40) appear as aggregated particles in a dilute solution that shows the microscopical phase transitions of the emulsions. Increasing the temperature from 15 to 45 °C, phase separation takes place, the emulsions contract to squeeze the water. A sharp decrease in particle size is noticed when the temperature increase from 30 to 35 °C. In this point, hydrophilic drug procaine is loaded and release experiments are conducted using thermoresponsive injectable hydrogel. The drug loading and release results are evaluated using the Weibull distribution model and the Fick's law of diffusion that precisely works out. A thermoresponsive injectable hydrogel offers an efficient, cost‐effective, and scalable approach towards controlled release of drugs. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2019,137, 48669.
Experimentelle und numerische Untersuchung einer bestehenden Eisenbahnbrücke bei Zugüberfahrt
Authors: Reiterer Michael 
Published: October 2019

AbstractDie dynamischen Kennwerte und das Schwingungsantwortverhalten bei Zugüberfahrt werden an einem schiefwinkeligen einfeldrigen Stahlbetonplattentragwerk experimentell und numerisch untersucht. Bei der numerischen Untersuchung werden unterschiedliche Detaillierungsgrade der Brückenmodelle betrachtet und die Ergebnisse der berechneten Eigenfrequenzen und Schwingungsantworten bei Zugüberfahrt miteinander verglichen und diskutiert. Die experimentellen Untersuchungen beinhalten die Anwendung der krafterregten Schwingungsanregungsmethode zur Ermittlung der tatsächlichen Größe der dynamischen Kennwerte des Tragwerks und die Messung der Tragwerksreaktionen bei Zugüberfahrt. Mit den experimentell ermittelten dynamischen Kennwerten werden die numerischen Brückenmodelle kalibriert und eine Neuberechnung der Schwingungsantworten wird durchgeführt. Die Abweichungen der bei Zugüberfahrt am realitätsangepassten numerischen Modell ermittelten Tragwerksreaktionen werden mit den messtechnisch ermittelten Werten verglichen. Ziel des Vergleichs ist die Ermittlung und Darlegung von anzuwendenden Signalanalyse‐ bzw. Filtermethoden zur Erzielung einer bestmöglichen Übereinstimmung der Tragwerksreaktionen des Modells mit der Realität. Es werden Empfehlungen für die Wahl des Detaillierungsgrads der numerischen Brückenmodelle bei Zugüberfahrtssimulationen und für die Festlegung der maßgebenden Eigenfrequenzen bei der Durchführung von Schwingungsmessungen an realen Tragwerken gegeben.
Die BBQ‐Richtlinie des DAfStb
Authors: Fingerloos Frank , Meyer Lars , Breitenbücher Rolf 
Published: October 2019

AbstractDie Normen des Betonbaus bilden derzeit die unterschiedliche Komplexität der Bauaufgaben nur in Ansätzen ab. Die Struktur des Regelwerks erschwert zudem die Interaktion bzw. die Kommunikation. Die Betonbaunormen werden jedoch insgesamt nur dann zukunftsfähig sein, wenn sie für die verschiedenen Ansprüche, Erwartungen und Randbedingungen in Planung und Bauausführung und Baustoffherstellung in gleicher Weise passende und insofern differenzierte Lösungsansätze vorsehen und besser aufeinander abgestimmt sind.Um eine solche bessere Abstimmung zwischen Planung, Baustoff und Bauausführung zu unterstützen, hat der Deutsche Ausschuss für Stahlbeton beschlossen, das Konzept der BetonBauQualitätsklassen (BBQ‐Klassen) zu etablieren, mit dem qualitätssichernde Maßnahmen in unterschiedlicher Intensität abhängig von der Komplexität der Bauaufgaben im Betonbau organisiert werden sollen. Dieser Bericht fasst den aktuellen Sachstand zur Entwicklung des BBQ‐Konzepts und der Bearbeitung der DAfStb‐BBQ‐Richtlinie zusammen.
Tuning optical properties and optical rotation of 3‐mercaptopropionic acid capped organic–inorganic hybrid perovskites
Authors: Qu Junfeng , Jiang Han , Xu Shuhong , Wang Chunlei , Ban Dayan 
Published: October 2019

AbstractThe emission wavelength of organic–inorganic hybrid perovskite quantum dots (QDs) can be tuned by controlling reaction time relevant to the halide exchange. It is because halide exchange with different time would lead to different molar ratio of halides in perovskite QDs such as Cl and Br. Here, to research the ligand's effect on the halide exchange, this work synthesized 3‐mercaptopropionic acid (MPA)‐capped CH3NH3PbBrxCl3‐x QDs. It was found that SH− of MPA appeared to inhibit the halide exchange during the reation. Moreover, although the MPA‐capped CH3NH3PbBrxCl3‐x QDs did not contain the chiral centre, they exhibit the optical rotation. This may provide a method for chirality manipulation of perovskite.
Understanding variation in the relationship between environmental management practices and firm performance across studies: A meta‐analytic review
Authors: Tsai Kuen‐Hung , Huang Chi‐Tsun , Chen Zi‐Hyo 
Published: October 2019

AbstractThe relationship between environmental management practices and firm performance has continuously received much attention in academic research. As existing literature on the link of the two constructs is characterized by heterogeneous research characteristics and mixed empirical evidence, one interesting question arises: Do research characteristics affect the magnitude and direction of the relationship between environmental management practices and firm performance? Amassing a database of 92 studies, 199 effect sizes, and 72,258 firms, we examine this question by conducting a meta‐analysis. The characteristics investigated in this study include item number of performance measures, year of data collection, industry type, economic development, and Hofstede's five cultural dimensions. A meta‐regression reveals that environmental management practices are positively associated with firm performance and that the degree of this association depends on these contexts. Specifically, the environmental management practices–performance relationship increases with year of data collection, is stronger with multiple item measures, and is higher for firms in developed countries and in cultures characterized by high power distance, low individualism, low uncertainty avoidance, and low long‐term orientation.
Design of Ceria Catalysts for Low‐Temperature CO Oxidation
Authors: Kim Hyung Jun , Jang Myeong Gon , Shin Dongjae , Han Jeong Woo 
Published: October 2019

AbstractA catalyst active to carbon monoxide (CO) oxidation at low temperature is essential for environmental conservation, saving fuel and improvement of the quality of human life. Rational design of CO oxidation catalyst on the basis of comprehensive understanding of physicochemical properties of catalytic materials, rather than simply searching for the catalyst based on trial‐and‐error, is a promising approach to meet the increasingly stringent regulations. This review covers metal‐doped and ‐loaded system based on CeO2 catalysts as strategies to significantly improve CO oxidation activity at low temperature. When incorporated into CeO2 lattice, active metals significantly lower the oxygen vacancy formation energy (Evf) of the catalyst surface, resulting in high catalytic activities at low temperature. When the active metals are loaded on the CeO2 surface, many active sites could be acquired by increasing the dispersion, and the catalytic activity can be dramatically improved by newly introducing the interfacial sites between the metals and the CeO2 support. Doping the support could further improve this loaded system in terms of specific surface area, oxygen vacancy formation, and spillover effects. In this review, based on this knowledge, we propose a rational design approach to a robust low‐temperature CO oxidation catalysts. The desirable CO oxidation catalysts identified from the interplay between theoretical and experimental approaches would ultimately improve the quality of human life, and create potential economic benefits by alleviating air pollution.
Light Hydrocarbon Separations Using Porous Organic Framework Materials
Authors: Zhang Shuhao , Taylor Mercedes K. , Jiang Lingchang , Ren Hao , Zhu Guangshan 
Published: October 2019

AbstractLight hydrocarbons (C1–C3) are used as basic energy feedstocks and as commodity organic compounds for the production of many industrially necessary chemicals. Due to the nature of the raw materials and production processes, light hydrocarbons are generated as mixtures, but the high‐purity single‐component products are of vital importance to the petrochemical industry. Consequently, the separation of these C1–C3 products is a crucial industrial procedure that comprises a significant share of the total global energy consumption per year. As a complement to traditional separation methods (distillation, partial hydrogenation, etc.), adsorptive separations using porous solids have received widespread attention due to their lower energy costs and higher efficiency. Extensive research has been devoted to the use of porous materials such as zeolites and metal‐organic frameworks (MOFs) as solid adsorbents for these key separations, owing to the high porosity, tunable pore structures, and unsaturated metal sites present in these materials. Recently, porous organic framework (POF) materials composed of organic building blocks linked by covalent bonds have also shown excellent properties in light hydrocarbon adsorption and separation, sparking interest in the use of these materials as adsorbents in separation processes. This Minireview summarizes the recent advances in the use of POFs for light hydrocarbon separations, including the separation of mixtures of methane/ethane, methane/propane, ethylene/ethane, acetylene/ethylene, and propylene/propane, while highlighting the relationships between the structural features of these materials and their separation performances. Finally, the difficulties, challenges, and opportunities associated with leveraging POFs for light hydrocarbon separations are discussed to conclude the review.
Stoichiometry‐Controlled Synthesis of Nanoparticulate Mixed‐Metal Oxyhydroxide Oxygen Evolving Catalysts by Electrochemistry in Aqueous Nanodroplets
Authors: Jeun Young Eun , Park Joon Ho , Kim Joo Yeon , Ahn Hyun S. 
Published: October 2019

AbstractMixed‐metal oxyhydroxides—especially those of Ni and Fe—are one of the most active classes of materials known for catalyzing the oxygen evolution reaction (OER). Here, nanoparticulate mixed metal oxyhydroxides (of Ni, Fe, and Co) were prepared on an electrode surface by electrochemical reaction of a precursor solution encapsulated in aqueous nanodroplets (AnDs), with each of the droplets containing 10 s of attoliters of fluid. Electrode reactions and synthesis can be monitored in situ by electrochemistry as single AnD stochastically lands and interacts with the working electrode. Resultant metal oxyhydroxide nanoparticles can be size and composition controlled precisely by modulating the precursor solution stored in the AnD. Nanoparticulate metal oxyhydroxides were implemented as catalysts for the OER and exhibited superior catalysis compared to their thin‐film counterparts, demonstrating a hundred‐thousand‐fold enhancement in atom efficiency at comparable turnover rates.
Improving classification and clustering techniques using GPUs
Authors: Jararweh Yaser , Shehab Mohammed A. , Yaseen Qussai , Al‐Ayyoub Mahmoud 
Published: October 2019

SummaryClassification and clustering techniques are used in different applications. Large‐scale big data applications such as social networks analysis applications need to process large data chunks in a short time. Classification and clustering tasks in such applications consume a lot of processing time. Improving the performance of classification and clustering algorithms enhances the performance of applications that use such type of algorithms. This paper introduces an approach for exploiting the graphics processing unit (GPU) platform to improve the performance of classification and clustering algorithms. The proposed approach uses two GPUs implementations, which are the pure GPU or GPU‐only implementation and the GPU‐CPU hybrid implementation. The results show that the hybrid implementation, which optimizes the subtask scheduling for both the CPU and the GPU processing elements, outperforms the approach that uses only the GPU.
In Situ Detection of Nucleation in High‐Temperature Solutions
Authors: Schneider Andreas G. F. , Sass Paul , Schöndube Robert , Jesche Anton 
Published: October 2019

AbstractThe state of a sample during crystal growth from high‐temperature solutions is not accessible in conventional furnace systems. An optimization of the growth parameters often requires arduous trial and error procedures, in particular, in the case of novel multicomponent systems with unknown phase diagrams. Here a measurement technique based on lock‐in amplification is presented that allows for in situ detection of the liquidus and solidus temperatures as well as structural phase transitions. A thin, metallic measurement wire is mounted in close vicinity to the melt. Characteristic anomalies in the time‐dependent electrical resistivity of this wire allow for the detection of latent heat release without using a reference crucible. The method is implemented in a “feedback furnace” and enables an adjustment of the temperature profile based on the occurrence or absence of phase transitions. The absolute temperature serves as an additional source of information. Obtained phase transition temperatures are in good agreement with differential thermal analysis.
Empirical study of dynamics of amoebiasis transmission in mobile ad hoc networks (MANETs)
Authors: Mishra Ankush , Saha Snehanshu , Makhija Simran , Sinha Sumana , Raychoudhury Vaskar , CC Sobin 
Published: October 2019

SummaryWe present a study of the novel mathematical model, CISER, in this work. The proposed model is a more general variant of the SIR epidemic model for representing information spread. The work provides an analysis of the mathematical model, in particular, the inclusion of carrier and exposed states in providing a more generalized representation toward SIR. The model also provides an accurate description of the disease amoebiasis and relates the disease characteristics to message propagation. We derive various properties of importance and depict the model representation of various states of spread (message propagation) through numerical results. Based on this model, we then provide an epidemic controlled flooding mechanism for information spread in a mobile ad hoc network (MANET). This is accomplished through a reactive IPv4‐based routing protocol built on top of the MAC 802.11b layer. We further present our simulated results and perform a comparative analysis against other epidemic routing protocols such as SIR and SEIR. We discover our model performing better in terms of most performance metrics.