bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Multifunctional Polymeric Periodontal Membrane with Osteogenic and Antibacterial Characteristics
Authors: Nasajpour Amir , Ansari Sahar , Rinoldi Chiara , Rad Afsaneh Shahrokhi , Aghaloo Tara , Shin Su Ryon , Mishra Yogendra Kumar , Adelung Rainer , Swieszkowski Wojciech , Annabi Nasim , Khademhosseini Ali , Moshaverinia Alireza , Tamayol Ali 
Published: November 2017

AbstractPeriodontitis is a prevalent chronic, destructive inflammatory disease affecting tooth‐supporting tissues in humans. Guided tissue regeneration strategies are widely utilized for periodontal tissue regeneration generally by using a periodontal membrane. The main role of these membranes is to establish a mechanical barrier that prevents the apical migration of the gingival epithelium and hence allowing the growth of periodontal ligament and bone tissue to selectively repopulate the root surface. Currently available membranes have limited bioactivity and regeneration potential. To address such challenges, an osteoconductive, antibacterial, and flexible poly(caprolactone) (PCL) composite membrane containing zinc oxide (ZnO) nanoparticles is developed. The membranes are fabricated through electrospinning of PCL and ZnO particles. The physical properties, mechanical characteristics, and in vitro degradation of the engineered membrane are studied in detail. Also, the osteoconductivity and antibacterial properties of the developed membrane are analyzed in vitro. Moreover, the functionality of the membrane is evaluated with a rat periodontal defect model. The results confirmed that the engineered membrane exerts both osteoconductive and antibacterial properties, demonstrating its great potential for periodontal tissue engineering.
Bending‐Tolerant Anodes for Lithium‐Metal Batteries
Authors: Wang Aoxuan , Tang Shan , Kong Debin , Liu Shan , Chiou Kevin , Zhi Linjie , Huang Jiaxing , Xia Yong‐Yao , Luo Jiayan 
Published: November 2017

AbstractBendable energy‐storage systems with high energy density are demanded for conformal electronics. Lithium‐metal batteries including lithium–sulfur and lithium–oxygen cells have much higher theoretical energy density than lithium‐ion batteries. Reckoned as the ideal anode, however, Li has many challenges when directly used, especially its tendency to form dendrite. Under bending conditions, the Li‐dendrite growth can be further aggravated due to bending‐induced local plastic deformation and Li‐filaments pulverization. Here, the Li‐metal anodes are made bending tolerant by integrating Li into bendable scaffolds such as reduced graphene oxide (r‐GO) films. In the composites, the bending stress is largely dissipated by the scaffolds. The scaffolds have increased available surface for homogeneous Li plating and minimize volume fluctuation of Li electrodes during cycling. Significantly improved cycling performance under bending conditions is achieved. With the bending‐tolerant r‐GO/Li‐metal anode, bendable lithium–sulfur and lithium–oxygen batteries with long cycling stability are realized. A bendable integrated solar cell–battery system charged by light with stable output and a series connected bendable battery pack with higher voltage is also demonstrated. It is anticipated that this bending‐tolerant anode can be combined with further electrolytes and cathodes to develop new bendable energy systems.
Nanomicelle‐Assisted Targeted Ocular Delivery with Enhanced Antiinflammatory Efficacy In Vivo
Authors: Weng Yu‐Hua , Ma Xiao‐Wei , Che Jing , Li Chan , Liu Juan , Chen Shi‐Zhu , Wang Yu‐Qin , Gan Ya‐Ling , Chen Hao , Hu Zhong‐Bo , Nan Kai‐Hui , Liang Xing‐Jie 
Published: November 2017

AbstractOcular inflammations are common diseases that may lead to serious vision‐threatening obstacles. Eye drops for antiinflammation therapy need to be administered multiple times daily at a high dosage due to the rapid precorneal removal and low bioavailability of drugs. To overcome these problems, a cRGD‐functionalized DSPE‐PEG2000 nanomicelle (DSPE‐PEG2000‐cRGD) encapsulated with flurbiprofen is proposed. The tailored nanomicelles trigger specific binding to integrin receptors on the ocular surface, which leads to rapid and robust mucoadhesion, superior ocular surface retention, and transcorneal penetration behaviors of nanomicelles. Due to the enhanced drug delivery on ocular surface and in aqueous humor, the functionalized nanoformulation significantly improves ocular antiinflammation efficacy at a low dosage by blocking the synthesis of inflammatory mediators and cytokines. The present study demonstrates a promising strategy that uses a functional peptide combined with nanomicelles for targeted delivery to the eye in ophthalmologic applications.
Verifying the Rechargeability of Li‐CO2 Batteries on Working Cathodes of Ni Nanoparticles Highly Dispersed on N‐Doped Graphene
Authors: Zhang Zhang , Wang Xin‐Gai , Zhang Xu , Xie Zhaojun , Chen Ya‐Nan , Ma Lipo , Peng Zhangquan , Zhou Zhen 
Published: November 2017

AbstractLi‐CO2 batteries could skillfully combine the reduction of “greenhouse effect” with energy storage systems. However, Li‐CO2 batteries still suffer from unsatisfactory electrochemical performances and their rechargeability is challenged. Here, it is reported that a composite of Ni nanoparticles highly dispersed on N‐doped graphene (Ni‐NG) with 3D porous structure, exhibits a superior discharge capacity of 17 625 mA h g−1, as the air cathode for Li‐CO2 batteries. The batteries with these highly efficient cathodes could sustain 100 cycles at a cutoff capacity of 1000 mA h g−1 with low overpotentials at the current density of 100 mA g−1. Particularly, the Ni‐NG cathodes allow to observe the appearance/disappearance of agglomerated Li2CO3 particles and carbon thin films directly upon discharge/charge processes. In addition, the recycle of CO2 is detected through in situ differential electrochemical mass spectrometry. This is a critical step to verify the electrochemical rechargeability of Li‐CO2 batteries. Also, first‐principles computations further prove that Ni nanoparticles are active sites for the reaction of Li and CO2, which could guide to design more advantageous catalysts for rechargeable Li‐CO2 batteries.
Hybrid van der Waals SnO/MoS2 Heterojunctions for Thermal and Optical Sensing Applications
Authors: Wang Zhenwei , He Xin , Zhang Xi‐Xiang , Alshareef Husam N. 
Published: November 2017

AbstractEmerging van der Waals heterojunctions (vdWH) containing 2D materials have shown exciting functionalities that surpass those of traditional devices based on bulk materials. In this Communication, a report on the properties of a 2D sulfide/oxide hybrid vdWH based on n‐type molybdenum disulfide (MoS2) and p‐type tin monoxide (SnO) is presented, with promising rectification, thermal‐sensing, and photosensing performance. Specifically, the hybrid SnO/MoS2 vdWH shows static rectification ratio of 2 × 102 with ideality factor of 2.3, and can operate at 100 Hz with good stability. The vdWH shows good temperature stability with reversible and reproducible current levels up to 110 °C, indicating its potential for thermal sensing applications. The sensitivity of current variation is calculated to be 0.0144 dec °C−1. Finally, maximum responsivity of 8.17 mA W−1 and external quantum efficiency of 2.14% have been achieved in photovoltaic measurements. The results suggest that MoS2–SnO hybrid vdWH are promising for various sensing applications.
Simultaneous Application of Photothermal Therapy and an Anti‐inflammatory Prodrug using Pyrene–Aspirin‐Loaded Gold Nanorod Graphitic Nanocapsules
Authors: Dong Qian , Wang Xuewei , Hu Xiaoxiao , Xiao Langqiu , Zhang Liang , Song Lijuan , Xu Minglu , Zou Yuxiu , Chen Long , Chen Zhuo , Tan Weihong 
Published: November 2017

AbstractPhotothermal therapy (PTT) has been extensively developed as an effective approach against cancer. However, PTT can trigger inflammatory responses, in turn simulating tumor regeneration and hindering subsequent therapy. A therapeutic strategy was developed to deliver enhanced PTT and simultaneously inhibit PTT‐induced inflammatory response. 1‐Pyrene methanol was utilize to synthesize the anti‐inflammatory prodrug pyrene–aspirin (P‐aspirin) with a cleavable ester bond and also facilitate loading the prodrug on gold nanorod (AuNR)‐encapsulated graphitic nanocapsule (AuNR@G), a photothermal agent, through π–π interactions. Such AuNR@G‐P‐aspirin complexes were used for near‐infrared laser‐triggered photothermal ablation of solid tumor and simultaneous inhibition of PTT‐induced inflammation through the release of aspirin in tumor milieu. This strategy showed excellent effects in vitro and in vivo.
Eine biokatalytische oxidative Kaskade für die Umsetzung von Fettsäuren zu α‐Ketosäuren mit interner H2O2‐Regeneration
Authors: Gandomkar Somayyeh , Dennig Alexander , Dordic Andela , Hammerer Lucas , Pickl Mathias , Haas Thomas , Hall Mélanie , Faber Kurt 
Published: November 2017

AbstractEine Wertschöpfung aus natürlichen Kohlenstoffquellen erfordert die Funktionalisierung von biobasierten Chemikalien. Eine atomeffiziente biokatalytische oxidative Kaskade wurde entwickelt, um aus gesättigten Fettsäuren α‐Ketosäuren herzustellen. Dafür wurde ein Cytochrom P450 im Peroxygenase‐Modus für die regioselektive α‐Hydroxylierung der Fettsäuren gemeinsam mit α‐Hydroxysäure‐Oxidase(n) für die nachfolgende enantioselektive Oxidation eingesetzt, was zu einer internen Regeneration des Oxidationsmittels H2O2 führte. Dadurch konnte die Zersetzung der Ketosäure unterdrückt werden, und die Lebensdauer des Biokatalysators wurde wenig beeinflusst. Die O2‐abhängige Kaskade beruht auf katalytischen Mengen an H2O2 und bildet Wasser als einziges Nebenprodukt. Aus Octansäure konnte unter milden Bedingungen 2‐Oxooctansäure in einer simultanen zweistufigen Eintopf‐Kaskade in wässrigem Puffer mit bis zu >99 % Umsatz ohne Anreicherung der Hydroxysäure hergestellt werden. Das Produkt wurde in präparativem Maßstab mit 91 % Ausbeute isoliert, und die Kaskade wurde für Fettsäuren mit verschiedenen Kettenlängen angewendet (C6:0 bis C10:0).
Serum sodium and chloride are inversely associated with dyskinesia in Parkinson's disease patients
Authors: Mao Cheng‐jie , Zhong Chong‐ke , Yang Yong , Yang Ya‐ping , Wang Fen , Chen Jing , Zhang Jin‐ru , Zhang Hui‐jun , Jin Hong , Xu Ling‐li , Huang Juan‐ying , Liu Chun‐Feng 
Published: November 2017

AbstractObjectiveWe aim to report and evaluate the associations between serum sodium and chloride and dyskinesia in patients with Parkinson's disease. One hundred and two patients with Parkinson's disease were enrolled in this study.MethodsPatients’ serum electrolytes including sodium, calcium, potassium, magnesium, and chloride were measured. Other demographic information was collected, and Unified Parkinson's disease rating scale and Hoehn and Yahr stage scale were also performed.ResultsPatients with dyskinesia tended to have longer duration of disease, higher daily levodopa‐equivalent dose, and Hoehn–Yahr stage, with lower serum sodium than those without dyskinesia. Spearman correlation analyses showed that serum sodium inversely correlated with duration of disease (r = −.218, p = .028), and positively correlated with serum chloride levels (r = .565, p < .001). Univariate logistic regression analysis found that duration of disease, daily levodopa‐equivalent dose, serum sodium, and serum chloride were associated with dyskinesia in Parkinson's disease patients (p < .05 for all). After adjusting for age, sex, age at onset of Parkinson's disease, medical history, and other covariates, serum sodium and chloride were still associated with dyskinesia, with corresponding Odd ratios 0.783 (95% confidence intervals, 0.642–0.955) and 0.796 (95% confidence intervals, 0.652–0.972), respectively.ConclusionOur findings indicated that serum sodium and chloride levels were inversely associated with dyskinesia in patients with Parkinson's disease. Further studies with large samples and range of serum sodium and chloride are needed.
Stakeholder Engagement in Sustainable Enterprise: Evolving a Conceptual Framework, and a Case Study of ITC
Authors: Anbarasan Periyasami , Sushil   
Published: November 2017

AbstractAn intensive debate has been occurring among academics, consultants and corporate executives, resulting in many definitions of a more humane, more ethical and more transparent manner of conducting business. They have created, supported or criticized related concepts such as sustainable development, corporate citizenship, sustainable entrepreneurship, the triple bottom line, business ethics and corporate social responsibility (Van Marrewijk, ). In the midst of LPG (liberalization, privatization and globalization), with market expansion occurring and the customer base needing to be widened for long‐term profitability, can enterprise opt for sustainability through the stakeholder approach? Interestingly, the ITC (Imperial Tobacco Company) is a firm committed to the core values of sustainable development in agrobusiness and in other activities, which has made the corporation well known for its stand on sustainability. Hence, this study begins with a brief literature review on sustainable enterprise and an introduction to familiarize the reader with the case organization, to examine what has made the ITC remain a stalwart in sustainable development and to identify the factors that drive the ITC's vision of sustainability. Based on the identified factors, total interpretive structural modeling (TISM) has been used to evolve a framework of sustainable enterprises on the star model (Sushil, ), which explains the customer and the government as driving factors for sustainability along with the triple bottom line. To validate our study, data on surrogate measures of some of the variables have been taken from the annual reports of the ITC and the validation is performed using linear regression analysis. Finally, the future research scope and limitations of the study are discussed. Copyright © 2017 John Wiley & Sons, Ltd and ERP Environment
Photochemical Oxidative Coupling of 2‐Naphthols using a Hybrid Reduced Graphene Oxide/Manganese Dioxide Nanocomposite under Visible‐Light Irradiation
Authors: Kumar Anurag , Aathira M. S. , Pal Ujjwal , Jain Suman L. 
Published: November 2017

AbstractWe describe a simple, cost‐effective, efficient, and high‐yielding photocatalytic approach for the oxidative self‐dimerization of 2‐naphthols using a semiconductor–metal hybrid that consists of intercalated manganese dioxide nanoparticles in reduced graphene oxide (rGO/MnO2) under visible‐light irradiation. The desired photocatalyst was synthesized in a single step by mixing MnO2 nanoparticles with rGO ultrasonically. The hybrid photocatalyst exhibited a significantly higher activity than neat MnO2 nanoparticles and rGO, which is believed to be because of the synergistic effect of its components. To our knowledge, this hybrid rGO/MnO2 nanocomposite is the first heterogeneous, green photocatalyst for the oxidative coupling of 2‐naphthols under mild conditions.
Exploiting Synergies in Catalysis and Gas Sensing using Noble Metal‐Loaded Oxide Composites
Authors: Müller Sabrina A. , Degler David , Feldmann Claus , Türk Michael , Moos Ralf , Fink Karin , Studt Felix , Gerthsen Dagmar , Bârsan Nicolae , Grunwaldt Jan‐Dierk 
Published: November 2017

AbstractNoble metal/metal oxide nanocomposites are very important in various fields of catalysis and play an evenly important role in gas sensing. Although there are many similarities regarding the choice of materials, the synthesis and the fundamental mechanisms, both research fields have been mostly treated independently up to now. In both fields, open questions regarding the elementary steps in the interaction of the gases with the active species and the role of the noble metal, the semiconducting metal oxide support and the interface remain. In this concept article, we first outline the importance of such composites in catalysis and gas sensing focussing on Pt/Pd, as well as CeO2 and SnO2 as transition metal oxides. Next, the state of art of both fundamental and relevant surface reactions and electronic mechanisms are described. Finally, we highlight the synergy of jointly exploring catalysis and gas sensing of noble metal/metal oxide nanocomposite materials and the benefit for both research fields if they are dealt with simultaneously using advanced characterization and operando methods, sophisticated preparation techniques, testing of the performance, and predictive theoretical modelling.
Constructing h‐BN/Bi2WO6 Quantum Dot Hybrid with Fast Charge Separation and Enhanced Photoelectrochemical Performance by using h‐BN for Hole Transfer
Authors: Li Junqi , Lei Nan , Guo Liu , Song Qianqian , Liang Zheng 
Published: November 2017

AbstractBi2WO6 quantum dot (QD)‐decorated hexagonal boron nitride (h‐BN) nanosheets were prepared by using a one‐step hydrothermal synthesis method. The Bi2WO6 QDs with a size of 4–8 nm are anchored uniformly on the h‐BN nanosheets with boron vacancies to form a h‐BN/Bi2WO6 QD hybrid. The h‐BN nanosheets not only function as a good support for Bi2WO6 QDs to block agglomeration, but also serve as a promoter for h+ transfer to improve the charge separation in the hybrid material. The photoelectrochemical (PEC) performance of the photoanodes was evaluated by using linear sweep voltammetry, electrochemical impedance spectroscopy, Bode plots, and Mott‐Schottky analyses. The results indicate that h‐BN/Bi2WO6 QD hybrids show enhanced PEC performance, which is mainly embodied in a higher photocurrent density, better electron transport properties, longer electrons lifetime, and increased carrier density. Finally, a possible mechanism for the enhanced PEC performance is proposed and discussed.
Application of image moments in MIA‐QSAR
Authors: Xu Min Li , Wang Xue , Li Bao Qiong , Zhai Hong Lin , Lu Shao Hua 
Published: November 2017

AbstractOwing to the presence of some significant chemical information, the conventional images of molecular structures have been used in the studies of quantitative structure‐activity relationship by multivariate image analysis (MIA‐QSAR). In this contribution, we suggest that the Tchebichef moments (TMs) calculated directly from the grayscale images of molecular structures are used as molecular descriptors to build linear QSAR models by stepwise regression. The proposed approach was applied to QSAR research on a series of HIV‐1 non‐nucleoside reverse transcriptase inhibitors, and satisfactory results were obtained. Compared with several published methods, the results indicate that the TM method possesses higher accuracy and reliability. The TMs effectively decompose the image information of molecular structures at different levels without any pretreatment owing its very favorable multiresolution, holographic, and inherent invariance properties. Our study successfully extends the application of image moments to MIA‐QSAR research.
Redox‐Active Ligand‐Assisted Two‐Electron Oxidative Addition to Gallium(II)
Authors: Fedushkin Igor L. , Dodonov Vladimir A. , Skatova Alexandra A. , Sokolov Vladimir G. , Piskunov Alexander V. , Fukin Georgii K. 
Published: November 2017

AbstractThe reaction of digallane (dpp‐bian)Ga−Ga(dpp‐bian) (2) (dpp‐bian=1,2‐bis[(2,6‐diisopropylphenyl)imino]acenaphthene) with allyl chloride (AllCl) proceeded by a two‐electron oxidative addition to afford paramagnetic complexes (dpp‐bian)Ga(η1‐All)Cl (3) and (dpp‐bian)(Cl)Ga−Ga(Cl)(dpp‐bian) (4). Treatment of complex 4 with pyridine induced an intramolecular redox process, which resulted in the diamagnetic complex (dpp‐bian)Ga(Py)Cl (5). In reaction with allyl bromide, complex 2 gave metal‐ and ligand‐centered addition products (dpp‐bian)Ga(η1‐All)Br (6) and (dpp‐bian‐All)(Br)Ga−Ga(Br)(dpp‐bian‐All) (7). The reaction of digallane 2 with Ph3SnNCO afforded (dpp‐bian)Ga(SnPh3)2 (8) and (dpp‐bian)(NCO)Ga−Ga(NCO)(dpp‐bian) (9). Treatment of GaCl3 with (dpp‐bian)Na in diethyl ether resulted in the formation of (dpp‐bian)GaCl2 (10). Diorganylgallium derivatives (dpp‐bian)GaR2 (R=Ph, 11; tBu, 14; Me, 15; Bn, 16) and (dpp‐bian)Ga(η1‐All)R (R=nBu, 12; Cp, 13) were synthesized from complexes 3, 10, Bn2GaCl, or tBu2GaCl by salt metathesis. The salt elimination reaction between (dpp‐bian)GaI2 (17) and tBuLi was accompanied by reduction of both the metal and the dpp‐bian ligand, which resulted in digallane 2 as the final product. Similarly, the reaction of complex 10 with MentMgCl (Ment=menthyl) proceeded with reduction of the dpp‐bian ligand to give the diamagnetic complex [(dpp‐bian)GaCl2][Mg2Cl3(THF)6] (18). Compounds 11, 12, 13, 15, and 16 were thermally robust, whereas compound 14 decomposed when heated at reflux in toluene to give complex (dpp‐bian‐tBu)GatBu2 (19). Both complexes 7 and 19 contain R‐substituted dpp‐bian ligand: in the former compound the allyl group was attached to the imino‐carbon atom, whereas in complex 19, the tBu group was situated on the naphthalene ring. Crystal structures of complexes 3, 8, 9, 10, 13, 14, 18, and 19 were determined by single‐crystal X‐ray analysis. The presence of dpp‐bian radical anions in 3, 6, 8, and 10–16 was determined by ESR spectroscopy.
Regio‐ and Enantioselective Allylic Amination of Aliphatic MBH Adducts with N‐Heteroaromatics
Authors: Wang Haixia , Yu Lulu , Xie Mingsheng , Wu Jiang , Qu Guirong , Ding Kuiling , Guo Haiming 
Published: November 2017

AbstractPalladium‐catalyzed regio‐ and enantioselective allylic amination of aliphatic Morita‐Baylis–Hillman (MBH) adducts with N‐heteroaromatic nucleophiles (e.g., benzimidazole, 4,5‐diphenylimidazole, benzotriazole, and purines) was achieved by using a spiroketal‐based diphosphine (SKP) ligand, and afforded a range of chiral, branched N‐allyl products with high selectivity.
Protein Recognition by Functionalized Sulfonatocalix[4]arenes
Authors: Doolan Aishling M. , Rennie Martin L. , Crowley Peter B. 
Published: November 2017

AbstractThe interactions of two mono‐functionalized sulfonatocalix[4]arenes with cytochrome c were investigated by structural and thermodynamic methods. The replacement of a single sulfonate with either a bromo or a phenyl substituent resulted in altered recognition of cytochrome c as evidenced by X‐ray crystallography. The bromo‐substituted ligand yielded a new binding mode in which a self‐encapsulated calixarene dimer contributed to crystal packing. This ligand also formed a weak halogen bond with the protein. The phenyl‐substituted ligand was bound to Lys4 of cytochrome c, in a 1.7 Å resolution crystal structure. A dimeric packing arrangement mediated by ligand–ligand contacts in the crystal suggested a possible assembly mechanism. The different protein recognition properties of these calixarenes are discussed.
Implementation of precision medicine in clinical trials in thoracic oncology: Which are the hurdles?
Authors: Scagliotti Giorgio V. 
Published: November 2017

Precision medicine quite likely will be implemented at a different pace than originally hypothesized, but it is definitely the way to move forward. Even from a medical oncology perspective, a clear understanding of the changes in a molecular pathway and the timely application of a diagnostic assay are critical steps to ultimately deliver a better treatment choice to each individual patient with non–small cell lung cancer.See also pages 4800‐7.