bluuebunny/crossref_metadata_2025_split huggingface dataset:
Boosting Photocatalytic Hydrogen Production of a Metal–Organic Framework Decorated with Platinum Nanoparticles: The Platinum Location Matters
Authors: Xiao Juan‐Ding , Shang Qichao , Xiong Yujie , Zhang Qun , Luo Yi , Yu Shu‐Hong , Jiang Hai‐Long 
Published: June 2016

AbstractImproving the efficiency of electron–hole separation and charge‐carrier utilization plays a central role in photocatalysis. Herein, Pt nanoparticles of ca. 3 nm are incorporated inside or supported on a representative metal–organic framework (MOF), UiO‐66‐NH2, denoted as Pt@UiO‐66‐NH2 and Pt/UiO‐66‐NH2, respectively, for photocatalytic hydrogen production via water splitting. Compared with the pristine MOF, both Pt‐decorated MOF nanocomposites exhibit significantly improved yet distinctly different hydrogen‐production activities, highlighting that the photocatalytic efficiency strongly correlates with the Pt location relative to the MOF. The Pt@UiO‐66‐NH2 greatly shortens the electron‐transport distance, which favors the electron–hole separation and thereby yields much higher efficiency than Pt/UiO‐66‐NH2. The involved mechanism has been further unveiled by means of ultrafast transient absorption and photoluminescence spectroscopy.
Miscibility, morphology, structure, and properties of porous cellulose–soy protein isolate hybrid hydrogels
Authors: Zheng Kaiwen , Zhang Junying , Cheng Jue 
Published: June 2016

ABSTRACTPorous hybrid hydrogels were fabricated by mixing cellulose (CEL) and soy protein isolate (SPI) solutions, followed by crosslinking with epichlorohydrin. Their miscibility, morphology, structure, and properties were investigated by wide‐angle X‐ray diffraction, thermogravimetric analysis, scanning electron microscopy, dynamic mechanical analysis, rheological measurement, and swelling tests. The results show that CEL performed as a “scaffold” of pore walls and contributed to the good mechanical properties, while SPI performed the role of an “extender” of pore size and was responsible for the high water absorbency. The incorporation of CEL (stiff chains) and SPI (hydrophilic groups) in the hybrid hydrogel constructed the porous structure. This work provides a method for the fabrication of hydrogels with porous structure through the combination of a stiff material as a “scaffold” and a hydrophilic material as an “extender.” © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43853.
Polymeric piezoelectric fiber with metal core produced by electrowetting‐aided dry spinning method
Authors: Liu Weiting , Chen Ran , Ruan Xiaodong , Fu Xin 
Published: June 2016

ABSTRACTAn electrowetting‐aided dry spinning method is developed to produce morphologically stable polymeric piezoelectric fibers with a metal core covered by a beta‐phase poly(vinylidene fluoride) [or poly(vinylidene‐trifluoroethylene)] layer. Each fiber consists of a 100 μm copper core (enameled with 6 μm polyester‐imide), a 3–10 μm piezoelectric layer, and a sputtered 100 nm gold electrode. The morphological properties of the fibers are analyzed with scanning electron microscopy, X‐ray diffraction, and a step profiler. The piezoelectric properties are tested in a vibration‐detecting application. Both morphological observation and piezoelectric testing demonstrate that the electrowetting‐aided dry spinning helps in forming high‐quality polymeric piezoelectric fibers. Moreover, this method can also be applied in different fabrications, where adhesion between a liquid and solid surface needs to be enhanced. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43968.
Mechanistic Insight into the Copper‐Catalyzed Regiodivergent Silacarboxylation of Allenes with CO2
Authors: Yuan Ruming , Hu Rong , Fu Gang 
Published: June 2016

AbstractDFT calculations were performed to investigate the detailed reaction mechanisms in the copper‐catalyzed regiodivergent silacarboxylation of allenes. According to our calculations, the catalysis would bifurcate at the allene silylcupration step, followed by CO2 insertion, eventually leading to the carboxylated vinylsilane or allylsilane products. The gaps between the two silylcupration barriers were predicted to be −2.3, −0.4, and 2.2 kcal mol−1 when using (rac)‐Me‐DuPhos, dcpe, and PCy3 (+H2O) as the ligands, which nicely accounted for the experimental vinylsilane/allylsilane ratios of 93:7, 50:50, and 15:85, respectively. By means of transition‐state‐energy decomposition, we found that the energy penalty of catalyst deformation into its transition‐state geometry was the key factor in determining the direction of the reaction. The switchable regioselectivity by using different P ligands could be ascribed to structural changes of the Cu−Si and Cu−P bonds during the silylcupration process.
Tuning O2 Reactivity through Synergistic Photo/Copper Catalysis: Direct Synthesis of 4‐Aryl tetralones via Cyclodimerization–Oxygenation of Styrenes
Authors: Zhang Xu , Yi Hong , Luo Yi , Lei Aiwen 
Published: June 2016

AbstractA transformation is presented that enables chemists to construct 4‐aryl tetralones via visible‐light‐induced cyclodimerization–oxygenation of styrene under very mild conditions. Adding a catalytic amount of CuOAc obviously improves the yield. A mechanistic study reveals that the photoredox catalyst played the role of activating O2 while Cu affected the reactivity of reactive oxygen species (ROS).
Simultaneous evaluation of substrate‐dependent CYP3A inhibition using a CYP3A probe substrates cocktail
Authors: Lee Eunyoung , Shon Jong Cheol , Liu Kwang‐Hyeon 
Published: June 2016

AbstractCytochrome P450 (P450) 3A (CYP3A) is an enzyme responsible for the metabolism of therapeutic drugs such as midazolam, nifedipine, testosterone and triazolam. It is involved in 40% of all cases of P450‐mediated metabolism of marketed drugs. Therefore, it is important to evaluate the CYP3A‐mediated drug interaction potential of new chemical entities (NCEs). In the past, one P450 isoform‐specific probe substrate has been used at a time to evaluate the degree of inhibition of P450 isoforms by using liquid chromatography‐tandem mass spectrometry (LC‐MS/MS). However, CYP3A enzymes have been shown to have a multi‐substrate binding site. Therefore, multiple CYP3A substrates should be used to evaluate precisely the drug interaction potential of NCEs with the enzyme CYP3A. In this study, a method of screening NCEs for their potential to inhibit by CYP3A enzyme activity was developed. It involves the employment of a CYP3A substrate cocktail (including midazolam, testosterone and nifedipine). The concentration of each CYP3A probe substrate in vitro was optimized (0.1 μm for midazolam, 2 μm for testosterone and 2 μm for nifedipine) to minimize mutual drug interactions among probe substrates. The method was validated by comparing inhibition data obtained from the incubation of CYP3A with each individual substrate with data from incubation with a cocktail of all three substrates. The CYP3A inhibition profiles from the substrate cocktail approach were similar to those from the individual substrates approach. This new method could be an effective tool for the robust and accurate screening of the CYP3A inhibition potential of NCEs in drug discovery. Copyright © 2016 John Wiley & Sons, Ltd.
Fluorescent carbon nanoparticles from Citrus sinensis as efficient sorbents for pollutant dyes
Authors: Adedokun Oluwaseun , Roy Anurag , Awodugba Ayodeji O. , Devi P. Sujatha 
Published: June 2016

AbstractHere, we report a simple, green and economic process for the synthesis of highly fluorescent carbon nanoparticles (CPs) through low‐temperature carbonization of a fruit waste, Citrus sinensis peel. This approach allows the large‐scale production of aqueous CPs dispersions without any additives and post‐treatment processes. The as‐prepared CPs were of small particle size, exhibited bright blue fluorescence under UV irradiation (λmax = 365 nm) with excellent colloidal stability in water. The chemical composition, structure and morphology of the as‐prepared CPs were analyzed using various spectroscopic techniques such as X‐ray diffraction, transmission electron microscopy and raman spectroscopy. The formed CPs were turbostratic in nature, with a large number of functional groups on the surface. We explored the adsorption characteristics of the formed CPs for wastewater treatment. Because of the negative surface of the CPs, as evident from the zeta value, it is possible to use them for selective adsorption of the cationic dye methylene blue from a mixture of dyes. The equilibrium adsorption isotherm revealed that the Langmuir model better describes the adsorption process than the Freundlich model. As‐prepared CPs rapidly adsorbed ~84% of the methylene blue within 1 min and can be regenerated and used repeatedly. Copyright © 2016 John Wiley & Sons, Ltd.
Design and evaluation of a digital module with guided peer feedback for student learning biotechnology and molecular life sciences, attitudinal change, and satisfaction
Authors: Noroozi Omid , Mulder Martin 
Published: June 2016

AbstractThis study aims to investigate the impacts of a digital learning module with guided peer feedback on students' domain‐specific knowledge gain and their attitudinal change in the field of biotechnology and molecular life sciences. The extent to which the use of this module is appreciated by students is studied as well. A pre‐test, post‐test design was used with 203 students who were randomly assigned to groups of three. They were asked to work on the digital module with the aim of exploring various perspectives, and the “pros and cons” on the topic of “Genetically Modified Organisms (GMOs).” The results suggest that the module can be used to foster students' domain‐specific knowledge gain and their attitudinal change. Furthermore, the module was evaluated positively in terms of students' motivation and satisfaction with the learning experiences. © 2016 by The International Union of Biochemistry and Molecular Biology, 45(1):31–39, 2017.
Insights into the Interface Between the Electrolytic Solution and the Gold Core in Molecular Au25 Clusters
Authors: Antonello Sabrina , Dainese Tiziano , De Nardi Marco , Perotti Lorena , Maran Flavio 
Published: June 2016

AbstractWe used a large series of Au25(SCnH2n+1)180 clusters (n=2, 3, 4, 5, 6, 8, 10, 12, 14, 16, 18) to study the effect of n and the presence of electrolytes on the redox potentials. The electrochemical results were analyzed in the framework of concentric‐capacitor models that were previously proposed to describe larger monolayer‐protected clusters. We found that the average dielectric constant of the monolayer (ϵm) is significantly larger than that of the ligand chains. The effective value of ϵm depends on n and is the result of contributions from ligands, solvent, and electrolyte. As n increased, ϵm decreased until a virtually constant value was attained for sufficiently long ligands. The electrochemically calculated HOMO–LUMO energy gap, conversely, does not depend on n and, therefore, ϵm. This energy gap is, within error, the same as that obtained from the optical spectra of the same clusters.
Inherently Chiral Spider‐Like Oligothiophenes
Authors: Sannicolò Francesco , Mussini Patrizia R. , Benincori Tiziana , Martinazzo Rocco , Arnaboldi Serena , Appoloni Giulio , Panigati Monica , Quartapelle Procopio Elsa , Marino Valentina , Cirilli Roberto , Casolo Simone , Kutner Wlodzimierz , Noworyta Krzysztof , Pietrzyk‐Le Agnieszka , Iskierko Zofia , Bartold Katarzyna 
Published: June 2016

AbstractThe racemate of an inherently chiral “spider‐like” octathiophene monomer T83, in which chirality is generated by torsion in its backbone, was synthesized. The racemate was resolved into configurationally stable antipodes by HPLC on a chiral stationary phase. Electrooxidation of the enantiomers resulted in materials displaying high enantiorecognition ability towards the antipodes of some chiral probes. Moreover, the T83 racemate demonstrated great aptitude to stimulate formation of 3D rigid architectures if used as a cross‐linking monomer for molecular imprinting. This feature was exploited to devise a molecularly imprinted polymer‐based chemosensor selective for a thymine–adenine oligonucleotide.
Cadmium(II)–Triazole Framework as a Luminescent Probe for Ca2+ and Cyano Complexes
Authors: Wang Ying , Xu Ping , Xie Qiong , Ma Qing‐Qing , Meng Yan‐Hui , Wang Zi‐Wen , Zhang Shaowei , Zhao Xiao‐Jun , Chen Jun , Wang Zhong‐Liang 
Published: June 2016

AbstractA bidentate ligand, 1‐{4‐[4‐(1H‐1,2,4‐triazol‐1‐yl)phenoxy]phenyl}‐1H‐1,2,4‐triazole (TPPT), has been designed and synthesized. By using TPPT as a building block for self‐assembly with Cd(NO3)2⋅4 H2O and CdCl2⋅10.5 H2O, novel 1D double‐chain {[Cd(TPPT)(NO3)2]⋅3 H2O}n (1) and 2D (4,4) layer [Cd(TPPT)Cl2(H2O)]n (2) have been constructed. When 1 was employed as a precursor and exposed to DMF or N,N′‐dimethylacetamide (DMAC), the crystals of 1 dissolved and reassembled into two types of brown block‐shaped crystals of 1D double chains: {[Cd(TPPT)2(NO3)2]⋅DMF}n (1 a) and {[Cd(TPPT)2(NO3)2]⋅DMAC}n (1 b). The anion‐exchange reactions of complex 2 have also been investigated. After gently stirring crystals of 2 in CHCl3/C2H5OH/H2O containing NaBr, NaI⋅2 H2O, or NaOAc⋅3 H2O, the crystals retained their crystalline appearances. A remarkable single crystal to single crystal transformation was observed and 1D double chains of {[Cd(TPPT)Br2]⋅C2H5OH}n (2 a) and {[Cd(TPPT)2I2]⋅CHCl3}n (2 b), and 1D single chains of [Cd(TPPT)(H2O)2(CH3COO)2]n (2 c), can be obtained. Luminescent properties indicate that 1 shows excellent selectivity for Ca2+ and cyano complexes. To the best of our knowledge, this is the first example of a luminescent probe for Ca2+ based on triazole derivatives.
Host–Guest Chemistry between Perylene Diimide (PDI) Derivatives and 18‐Crown‐6: Enhancement in Luminescence Quantum Yield and Electrical Conductivity
Authors: Lasitha P. , Prasad Edamana 
Published: June 2016

AbstractPerylene diimide (PDI) derivatives exhibit a high propensity for aggregation, which causes the aggregation‐induced quenching of emission from the system. Host–guest chemistry is one of the best‐known methods for preventing aggregation through the encapsulation of guest molecules. Herein we report the use of 18‐crown‐6 (18‐C‐6) as a host system to disaggregate suitably substituted PDI derivatives in methanol. 18‐C‐6 formed complexes with amino‐substituted PDIs in methanol, which led to disaggregation and enhanced emission from the systems. Furthermore, the embedding of the PDI⋅18‐C‐6 complexes in poly(vinyl alcohol) (PVA) films generated remarkably high emission quantum yields (60–70 %) from the PDI derivatives. More importantly, the host–guest systems were tested for their ability to conduct electricity in PVA films. The electrical conductivities of the self‐assembled systems in PVA were measured by electrochemical impedance spectroscopy (EIS) and the highest conductivity observed was 2.42×10−5 S cm−1.
Specific Design of Titanium(IV) Phenolato Chelates Yields Stable and Accessible, Effective and Selective Anticancer Agents
Authors: Meker Sigalit , Braitbard Ori , Hall Matthew D. , Hochman Jacob , Tshuva Edit Y. 
Published: June 2016

AbstractOctahedral titanium(IV) complexes of phenolato hexadentate ligands were developed and showed very high stability for days in water solutions. In vitro cytotoxicity studies showed that, whereas tetrakis(phenolato) systems are generally of low activity presumably due to inaccessibility, smaller bis(phenolato)bis(alkoxo) complexes feature high anticancer activity and accessibility even without formulations, also toward a cisplatin‐resistant cell line. An all‐aliphatic control complex was unstable and inactive. A leading phenolato complex also revealed: 1) high durability in fully aqueous solutions; accordingly, negligible loss of activity after preincubation for three days in medium or in serum; 2) maximal cellular accumulation and induction of apoptosis following 24–48 h of administration; 3) reduced impact on noncancerous fibroblast cells; 4) in vivo efficacy toward lymphoma cells in murine model; 5) high activity in NCI‐60 panel, with average GI50 of 4.6±2 μm. This newly developed family of TiIV complexes is thus of great potential for anticancer therapy.
Palladium(0)‐Catalyzed Intermolecular Allylic Dearomatization of Indoles by a Formal [4+2] Cycloaddition Reaction
Authors: Gao Run‐Duo , Xu Qing‐Long , Zhang Bo , Gu Yiting , Dai Li‐Xin , You Shu‐Li 
Published: June 2016

AbstractBridged indoline derivatives were synthesized by an intermolecular Pd‐catalyzed allylic dearomatization reaction of substituted indoles. The reaction between indoles and allyl carbonates bearing a nucleophilic alcohol side‐chain proceeds in a cascade fashion, providing bridged indolines in excellent enantioselectivity.
Iron‐Catalyzed Hydroboration: Unlocking Reactivity through Ligand Modulation
Authors: Espinal‐Viguri Maialen , Woof Callum R. , Webster Ruth L. 
Published: June 2016

AbstractIron‐catalyzed hydroboration (HB) of alkenes and alkynes is reported. A simple change in ligand structure leads to an extensive change in catalyst activity. Reactions proceed efficiently over a wide range of challenging substrates including activated, unactivated and sterically encumbered motifs. Conditions are mild and do not require the use of reducing agents or other additives. Large excesses of borating reagent are not required, allowing control of chemo‐ and regioselectivity in the presence of multiple double bonds. Mechanistic insight reveals that the reaction is likely to proceed via a highly reactive iron hydride intermediate.
Simple Engineering of Polymer–Nanoparticle Hybrid Nanocapsules
Authors: Sciortino Flavien , Casterou Gérald , Eliat Pierre‐Antoine , Troadec Marie‐Bérengère , Gaillard Cédric , Chevance Soizic , Kahn Myrtil L , Gauffre Fabienne 
Published: June 2016

AbstractA general method to generate hybrid hollow capsules is reported. The process is based on the stabilization of solvent droplets by nanoparticles, in macroscopically miscible mixtures of tetrahydrofuran (THF) and water. After addition of a crosslinking polymer and removal of the solvent core, capsules of diameter ca 100 nm are obtained. This novel strategy does not require the use of block copolymers. In contrast, most methods reporting the formation of hybrid nanocapsules incorporate nanoparticles into block‐copolymer polymersomes or use nanoparticles tethered with block‐copolymers. The nanocapsules were characterized using a full set of techniques including nanoparticle tracking analysis, electron microscopy and liquid phase atomic force microscopy. Our results show that the vesicular shape of the nanocapsules is templated by the liquid droplets. Nanocapsules were prepared from quantum dots, gold nanoparticles, superparamagnetic iron oxide nanoparticles and mixtures of particles. The entrapment of a fluorescent dye was also demonstrated. Thus, nanocapsules with dual properties (e.g., magnetic and fluorescent) are easily obtained. Interestingly, the magnetic nanocapsules enable magnetic resonance imaging contrast enhancement of tumors in vivo.
Comparative Protein Structure Modeling Using MODELLER
Authors: Webb Benjamin , Sali Andrej 
Published: June 2016

AbstractComparative protein structure modeling predicts the three‐dimensional structure of a given protein sequence (target) based primarily on its alignment to one or more proteins of known structure (templates). The prediction process consists of fold assignment, target‐template alignment, model building, and model evaluation. This unit describes how to calculate comparative models using the program MODELLER and how to use the ModBase database of such models, and discusses all four steps of comparative modeling, frequently observed errors, and some applications. Modeling lactate dehydrogenase from Trichomonas vaginalis (TvLDH) is described as an example. The download and installation of the MODELLER software is also described. © 2016 by John Wiley & Sons, Inc.
The GeneCards Suite: From Gene Data Mining to Disease Genome Sequence Analyses
Authors: Stelzer Gil , Rosen Naomi , Plaschkes Inbar , Zimmerman Shahar , Twik Michal , Fishilevich Simon , Stein Tsippi Iny , Nudel Ron , Lieder Iris , Mazor Yaron , Kaplan Sergey , Dahary Dvir , Warshawsky David , Guan‐Golan Yaron , Kohn Asher , Rappaport Noa , Safran Marilyn , Lancet Doron 
Published: June 2016

AbstractGeneCards, the human gene compendium, enables researchers to effectively navigate and inter‐relate the wide universe of human genes, diseases, variants, proteins, cells, and biological pathways. Our recently launched Version 4 has a revamped infrastructure facilitating faster data updates, better‐targeted data queries, and friendlier user experience. It also provides a stronger foundation for the GeneCards suite of companion databases and analysis tools. Improved data unification includes gene‐disease links via MalaCards and merged biological pathways via PathCards, as well as drug information and proteome expression. VarElect, another suite member, is a phenotype prioritizer for next‐generation sequencing, leveraging the GeneCards and MalaCards knowledgebase. It automatically infers direct and indirect scored associations between hundreds or even thousands of variant‐containing genes and disease phenotype terms. VarElect's capabilities, either independently or within TGex, our comprehensive variant analysis pipeline, help prepare for the challenge of clinical projects that involve thousands of exome/genome NGS analyses. © 2016 by John Wiley & Sons, Inc.
Position Sensorless Vector Control Method for IPMSM Drives Based on Vector Trajectory of Current Estimation Error
Authors: KIKUCHI TOSHIE , MATSUMOTO YASUSHI , CHIBA AKIRA 
Published: June 2016

SUMMARYInterior permanent magnet synchronous motors (IPMSMs) position sensorless drives have been widely used in recent years. These drives should be able to handle low‐speed operation. Control methods of IPMSM based on current observers generally assume that the position error is sufficiently small. In this paper, the authors have proposed a new position estimation method based on vector trajectory of the current estimation error. This position estimation method consists of two parts. First, the sign of the position error is estimated based on the outer product of the current estimation error and the reference vector. Next, the amplitude of the position error is calculated from the intersection of two circles determined by motor parameters and the current estimation error. The proposed position sensorless method is implemented on a DSP controller, and the effectiveness of the proposed control method is confirmed experimentally.
A Study on the Power System Security under Future Uncertainties
Authors: OKUMOTO YOSHIHARU , YORINO NAOTO , SASAKI YUTAKA , ZOKA YOSHIFUMI , AKIYOSHI TOMIHISA , ISOYA TOMOHIRO 
Published: June 2016

SUMMARYIn this paper, we propose three applications to quantitatively evaluate N‐1 security with increased uncertainties. By using a robust dynamic security region (RDS), which is based on the concept of robust power system security (RS), the key region for judging the security and a new evaluation index for quantitative analysis, we can evaluate power system security as follows. (1) The calculation of the RDS at the time of yearly peak load demand can be recognized as the benchmark for the N‐1 security at present, and this method can be applied to the future power system with increased renewable energy resources (RES) such as PV. (2) We show the yearly declining trend for N‐1 security resulting from increased PV deployment year by year. (3) We calculate the necessary amount of additional power supply capacity, including conventional electric power generators or storage batteries, needed for maintaining the N‐1 security at the present level. The effectiveness of the proposed method is demonstrated through simulations using a model system with three machines.