bluuebunny/crossref_metadata_2025_split huggingface dataset:
Using elliptical best fits to characterize dental shapes
Authors: Bauer Catherine C. , Bons Paul D. , Benazzi Stefano , Harvati Katerina 
Published: September 2015

ABSTRACTA variety of geometric morphometric methods have recently been used to describe dental shape variation in human evolutionary studies. However, the applicability of these methods is limited when teeth are worn or are difficult to orient accurately. Here we show that elliptical best fits on outlines of dental tissues below the crown provide basic size‐ and orientation‐free shape descriptors. Using the dm2 and M3 as examples, we demonstrate that these descriptors can be used for taxonomic purposes, such as distinguishing between Neanderthal and recent modern human teeth. We propose that this approach can be a useful alternative to existing methodology. Am J Phys Anthropol 159:342–347, 2016. © 2015 Wiley Periodicals, Inc.
Everolimus for subependymal giant cell astrocytoma: 5‐year final analysis
Authors: Franz David N. , Agricola Karen , Mays Maxwell , Tudor Cindy , Care Marguerite M. , Holland‐Bouley Katherine , Berkowitz Noah , Miao Sara , Peyrard Séverine , Krueger Darcy A. 
Published: September 2015

ObjectiveTo analyze the cumulative efficacy and safety of everolimus in treating subependymal giant cell astrocytomas (SEGA) associated with tuberous sclerosis complex (TSC) from an open‐label phase II study (NCT00411619). Updated data became available from the conclusion of the extension phase and are presented in this ≥5‐year analysis.MethodsPatients aged ≥ 3 years with a definite diagnosis of TSC and increasing SEGA lesion size (≥2 magnetic resonance imaging scans) received everolimus starting at 3mg/m2/day (titrated to target blood trough levels of 5–15ng/ml). The primary efficacy endpoint was reduction from baseline in primary SEGA volume.ResultsAs of the study completion date (January 28, 2014), 22 of 28 (78.6%) initially enrolled patients finished the study per protocol. Median (range) duration of exposure to everolimus was 67.8 (4.7–83.2) months; 12 (52.2%) and 14 (60.9%) of 23 patients experienced SEGA volume reductions of ≥50% and ≥30% relative to baseline, respectively, after 60 months of treatment. The proportion of patients experiencing daily seizures was reduced from 7 of 26 (26.9%) patients at baseline to 2 of 18 (11.1%) patients at month 60. Most commonly reported adverse events (AEs) were upper respiratory tract infection and stomatitis of mostly grade 1 or 2 severity. No patient discontinued treatment due to AEs. The frequency of emergence of most AEs decreased over the course of the study.InterpretationEverolimus continues to demonstrate a sustained effect on SEGA tumor reduction over ≥5 years of treatment. Everolimus remained well‐tolerated, and no new safety concerns were noted. Ann Neurol 2015;78:929–938
Influence of Arrestin on the Photodecay of Bovine Rhodopsin
Authors: Chatterjee Deep , Eckert Carl Elias , Slavov Chavdar , Saxena Krishna , Fürtig Boris , Sanders Charles R. , Gurevich Vsevolod V. , Wachtveitl Josef , Schwalbe Harald 
Published: September 2015

AbstractContinued activation of the photocycle of the dim‐light receptor rhodopsin leads to the accumulation of all‐trans‐retinal in the rod outer segments (ROS). This accumulation can damage the photoreceptor cell. For retinal homeostasis, deactivation processes are initiated in which the release of retinal is delayed. One of these processes involves the binding of arrestin to rhodopsin. Here, the interaction of pre‐activated truncated bovine visual arrestin (ArrTr) with rhodopsin in 1,2‐diheptanoyl‐sn‐glycero‐3‐phosphocholine (DHPC) micelles is investigated by solution NMR techniques and flash photolysis spectroscopy. Our results show that formation of the rhodopsin–arrestin complex markedly influences partitioning in the decay kinetics of rhodopsin, which involves the simultaneous formation of a meta II and a meta III state from the meta I state. Binding of ArrTr leads to an increase in the population of the meta III state and consequently to an approximately twofold slower release of all‐trans‐retinal from rhodopsin.
Palladium‐Catalyzed Synthesis of (Hetero)Aryl Alkyl Sulfones from (Hetero)Aryl Boronic Acids, Unactivated Alkyl Halides, and Potassium Metabisulfite
Authors: Shavnya Andre , Hesp Kevin D. , Mascitti Vincent , Smith Aaron C. 
Published: September 2015

AbstractA palladium‐catalyzed one‐step synthesis of (hetero)aryl alkyl sulfones from (hetero)arylboronic acids, potassium metabisulfite, and unactivated or activated alkylhalides is described. This transformation is of broad scope, occurs under mild conditions, and employs readily available reactants. A stoichiometric experiment has led to the isolation of a catalytically active dimeric palladium sulfinate complex, which was characterized by X‐ray diffraction analysis.
Cobalt‐Catalyzed Allylation of Heterobicyclic Alkenes: Ligand‐Induced Divergent Reactivities
Authors: Huang Yuan , Ma Chao , Lee Yi Xin , Huang Rui‐Zhi , Zhao Yu 
Published: September 2015

AbstractThe allylation of heterobicyclic alkenes is presented for the first time. By using an inexpensive cobalt salt as the catalyst and easy‐to‐handle potassium allyltrifluoroborate as the reagent, an unprecedented formal hydroallylation of the bicyclic alkenes is realized in high efficiency. When a chiral cobalt/bis(phosphine) complex is used instead, the alternative ring‐opening products can be obtained in high yield and excellent enantioselectivity.
Die Existenz von Tricyanomethan
Authors: Soltner Theresa , Häusler Jonas , Kornath Andreas J. 
Published: September 2015

AbstractDie Umsetzung von Calciumtricyanomethanid mit Fluorwasserstoff führt zur Bildung von Tricyanomethan und Ca(HF2)2. Tricyanomethan ist bis zu einer Temperatur von −40 °C beständig. Es wurde mittels Infrarot‐, Raman‐ und NMR‐Spektroskopie charakterisiert. Die Schwingungsspektren sind mit den quantenchemisch berechneten Frequenzen auf PBE1PBE/6‐311G(3df,3dp)‐Niveau verglichen und bestätigen die erwartete C3v‐Symmetrie des Moleküls mit regulären C‐H‐ (109.8 pm), C‐C‐ (146.7 pm) und CN‐Bindungen (114.7 pm).
Synthesis and Structure of Hypervalent Iodine(III) Reagents Containing Phthalimidate and Application to Oxidative Amination Reactions
Authors: Kiyokawa Kensuke , Kosaka Tomoki , Kojima Takumi , Minakata Satoshi 
Published: September 2015

AbstractA new class of hypervalent iodine reagents containing phthalimidate was synthesized, and structurally characterized by X‐ray analysis. The benziodoxole‐based reagent displays satisfactory solubility in common organic solvents and is reasonably stable in solution as well as in the solid state. The reagent was used for the oxidative amination of the C(sp3)H bond of N,N‐dimethylanilines. In addition, the reagent was also applicable to oxidative amination with rearrangement of trialkylamines as well as enamines that were prepared in situ from secondary amines and aldehydes.
A Bioinspired Switchable and Tunable Carbonate‐Activated Nanofluidic Diode Based on a Single Nanochannel
Authors: Xie Ganhua , Xiao Kai , Zhang Zhen , Kong Xiang‐Yu , Liu Qian , Li Pei , Wen Liping , Jiang Lei 
Published: September 2015

AbstractA smart nanofluidic diode that exhibits both ion gating and ion current rectification has been developed using a 1‐(4‐amino‐phenyl)‐2,2,2‐trifluoro‐ethanone‐functionalized, conical nanochannel in a polyimide (PI) membrane. The switch‐like property can be tuned by controlling the wettability and charge distribution with carbonate ions. Such a nanodevice is advantageous for precisely controlling conductive states with an ultrahigh gating ratio of up to 5000, and a high rectification ratio of 27. By virtue of the high selectivity and sensitivity for carbonate ions, this nanofluidic diode may find applications in carbonate or carbon dioxide detection.
Hydrolytic Transformation of Microporous Metal–Organic Frameworks to Hierarchical Micro‐ and Mesoporous MOFs
Authors: Kim Yonghwi , Yang Tao , Yun Gyeongwon , Ghasemian Mohammad Bagher , Koo Jaehyoung , Lee Eunsung , Cho Sung June , Kim Kimoon 
Published: September 2015

AbstractA new approach to the synthesis of hierarchical micro‐ and mesoporous MOFs from microporous MOFs involves a simple hydrolytic post‐synthetic procedure. As a proof of concept, a new microporous MOF, POST‐66(Y), was synthesized and its transformation into a hierarchical micro‐ and mesoporous MOF by water treatment was studied. This method produced mesopores in the range of 3 to 20 nm in the MOF while maintaining the original microporous structure, at least in part. The degree of micro‐ and mesoporosity can be controlled by adjusting the time and temperature of hydrolysis. The resulting hierarchical porous MOF, POST‐66(Y)‐wt, can be utilized to encapsulate nanometer‐sized guests such as proteins, and the enhanced stability and recyclability of an encapsulated enzyme is demonstrated.
Synthesis of a branched photosensitive copolymer and its application for negative‐type photoresists
Authors: Li Hu , Liu Jingcheng , Zheng Xiangfei , Ji Changwei , Mu Qidao , Liu Ren , Liu Xiaoya 
Published: September 2015

ABSTRACTNovel branched copolymers, poly(styrene‐alt‐maleic anhydride) (BPSMA), were synthesized through mercapto chain‐transfer polymerization with styrene, maleic anhydride (MA), and 4‐vinyl benzyl thiol (VBT). Then, the hydroxyl of hydroxyethyl methacrylate was reacted with MA to synthesize branched photosensitive copolymers, p‐BPSMAs. Fourier transform IR spectroscopy and 1H‐NMR indicated that the synthesis was successful. Gel permeation chromatography indicated that the molecular weight decreased with increasing content of VBT. The thermal properties were characterized by thermogravimetric analysis; the results show that the thermal decomposition temperature of the BPSMAs was greatly enhanced. Real‐time IR was used to evaluate the UV‐curable kinetics of the p‐BPSMAs; the results show that the p‐BPSMAs could rapidly photopolymerize under UV irradiation in the presence of photoinitiators. Moreover, the photoresist based on the p‐BPSMAs exhibited improved photosensitivity when the VBT content increased, and the photoresist with 12 mol % VBT content had a low value of the dose that retained 50% of the original film thickness (10 mJ/cm2), and a 50‐μm resolution could be achieved compared to a linear photoresist. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 42838.
Development of nanocomposites based on organically modified montmorillonite and plasticized PVC with improved barrier properties
Authors: Petersen Henrik , Jakubowicz Ignacy , Enebro Jonas , Yarahmadi Nazdaneh 
Published: September 2015

ABSTRACTMontmorillonite (MMT) was organically modified with tributyl citrate (TBC). Organoclays (OMMTs) were processed with diisononyl phthalate (DINP)‐plasticized polyvinyl chloride (PVC) to form polymer nanocomposites. The produced composite materials showed a contradictory change in properties to that expected of a layered silicate nanocomposite, with a decreased E‐modulus and increased gas permeability compared with a material without OMMT. It was experimentally shown that the TBC modifier was extracted from the OMMT and was dispersed in the PVC/DINP matrix, whereupon the OMMT collapsed and formed micrometer‐sized agglomerates. Further investigation revealed that TBC has a significant effect on the gas permeability and the E‐modulus, even at low additions to a DINP‐plasticized PVC. A PVC nanocomposite with the TBC acting as both the OM for MMT and as the primary plasticizer was produced. This material showed a significantly increased E‐modulus as well as a decrease in gas permeability, confirming that it is possible to develop a nanocomposite based on plasticized PVC, if both the organo‐modification of the MMT and the formulation of the matrix are carefully selected. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 42876.
Enhancing the electrical conductivity of carbon black/graphite nanoplatelets: Poly(ethylene‐butyl acrylate) composites by melt extrusion
Authors: Ariño Ruth , Álvarez Elena , Rigdahl Mikael 
Published: September 2015

ABSTRACTThe influence of processing parameters such as screw geometry, temperature profile, and screw speed on the electrical properties of hybrid composites consisting of graphite nanoplatelets and carbon black in ethyl butyl acrylate was studied. Two different screws were used to compound the hybrid composites at two different temperatures and two different screw speeds. A beneficial effect was noted with regard to the electrical properties when adding nanoplatelets to the filler system. The cause could be a synergistic effect due to the difference in particle shape of the two fillers. Lower percolation thresholds were obtained with the conventional screw due to less breakage of the graphite nanoplatelets compared to the barrier screw. No significant changes of the electrical properties were observed when changing the temperature profiles or the screw speeds. Furthermore, the melt viscosity of the compounds was not appreciably affected at the rather low filler contents used here. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 42897.
Preparation of Porous Three‐Dimensional Quaternary Thioantimonates(III) ACuSb2S4 (A=Rb, Cs) through a Surfactant‐Thermal Method
Authors: Shen Yaying , Liu Chang , Hou Peipei , Zhi Mingjia , Zhou Chunmei , Chai Wenxiang , Cheng Jian‐Wen , Liu Yi , Zhang Qichun 
Published: September 2015

AbstractTwo novel porous three‐dimensional (3D) quaternary thioantimonates(III) ACuSb2S4 (A=Rb, Cs) were successfully synthesized by employing the neutral surfactant PEG‐400 (PEG=polyethyleneglycol) as reaction media, these are significantly different from the known quaternary A−Cu−Sb−S thioantimonates(III) with two‐dimensional (2D) crystal structures. This is the first time that crystalline quaternary chalcogenides have been prepared in surfactant media. Both experimental and theoretical studies confirm they are semiconductors with narrow band gaps. Our results demonstrated that the surfactant‐thermal strategy could offer a new opportunity to explore novel chalcogenides with diverse crystal structures and interesting physicochemical properties.
Synthesis, characterization and properties of salicylhydrazide–salicylacylhydrazone derivatives and their terbium complexes
Authors: Meng Defen , Liu Fen , Li Yingying , Yang Zehui , Li Guizhi , Guo Dongcai 
Published: September 2015

AbstractA series of terbium complexes with salicylhydrazide–salicylacylhydrazone derivatives were synthesized and characterized by elemental analysis, IR spectra, UV/vis spectra and thermal analysis. The luminescence and electrochemical properties of the terbium complexes were investigated. The results show that all the target complexes exhibited characteristic emissions of terbium ions and the complex substituted by the chlorine has the strongest luminescence intensity with the highest quantum yield at 0.609. The introduction of donating electron groups could increase the oxidation potential and the highest occupied molecular orbital energy level of the terbium complex; however, the introduction of accepting electron groups gave the opposite result. Copyright © 2015 John Wiley & Sons, Ltd.
Behavioral Effects of Sustainability‐Oriented Incentive Systems
Authors: Huber Robert , Hirsch Bernhard 
Published: September 2015

AbstractCompanies increasingly extend their existing incentive systems by integrating several sustainable performance indicators. Although these ‘sustainability‐oriented’ incentive systems clearly highlight which business objectives should be attained, little is known about the effects that these incentive systems have on employee behavior. Based on signaling theory, social identity theory and a person–organization fit (PO‐fit) perspective, we assume positive relations between sustainability‐oriented incentive systems and employee attraction, motivation and cooperation. Furthermore, we examine whether these relations are moderated by personal attitudes toward corporate sustainability activities as well as the underlying mechanisms at the moderation (mediated moderation). Our experimental results (with students as future employees) do not give support for a general positive relation between sustainability‐oriented incentive systems and employee behavior. However, our data show that a person's attitude toward corporate sustainability activities moderates the link between sustainability‐oriented incentive systems and employee behavior. Additionally, we find PO‐fit perceptions to mediate the interaction effects. Copyright © 2015 John Wiley & Sons, Ltd and ERP Environment
Acceleration of the Rate‐Limiting Step of Thioredoxin Folding by Replacement of its Conserved cis‐Proline with (4 S)‐Fluoroproline
Authors: Roderer Daniel , Glockshuber Rudi , Rubini Marina 
Published: September 2015

AbstractThe incorporation of the non‐natural amino acids (4R)‐ and (4S)‐fluoroproline (Flp) has been successfully used to improve protein stability, but little is known about their effect on protein folding kinetics. Here we analyzed the influence of (4R)‐ and (4S)‐Flp on the rate‐limiting trans‐to‐cis isomerization of the Ile75–Pro76 peptide bond in the folding of Escherichia coli thioredoxin (Trx). While (4R)‐Flp at position 76 had essentially no effect on the isomerization rate in the context of the intact tertiary structure, (4S)‐Flp accelerated the folding reaction ninefold. Similarly, tenfold faster trans‐to‐cis isomerization of Ile75–(4S)‐Flp76 relative to Ile75–Pro76 was observed in the unfolded state of Trx. Our results show that the replacement of cis prolines by non‐natural proline analogues can be used for modulating the folding rates of proteins with cis prolyl‐peptide bonds in the native state.
An Investigation of the Interaction of Co‐Solvent with Substrates in the Pig Liver Esterase‐Catalyzed Hydrolysis of Malonate Esters
Authors: Smith Maureen E. , Fibinger Michael P. C. , Bornscheuer Uwe T. , Masterson Douglas S. 
Published: September 2015

AbstractPreviously, we have reported the effect of several co‐solvents, including ethanol, on the enantioselective outcome of pig liver esterase (PLE) hydrolysis reactions. The greatest improvements were observed in those substrates that contained an atom capable of forming a hydrogen bond in the sidechain portion of the molecule. To further explore the interaction between substrate and ethanol, a second series of substrates were synthesized, in which the hydrogen bonding atoms of the side chain were modified, and subjected to PLE hydrolysis. Substrates containing atoms capable of forming hydrogen bonds showed the largest equilibrium constants. However, a large equilibrium constant did not always produce significant changes in enantioselectivity as hypothesized. Finally, molecular modeling experiments were performed to obtain a better understanding of the interactions. These experiments revealed that there are substrate–enzyme interactions that can be influenced by the addition of ethanol.
Ruthenium‐Catalyzed Asymmetric Transfer Hydrogenation of Propargylic Ketones
Authors: Shatskiy Andrey , Kivijärvi Tove , Lundberg Helena , Tinnis Fredrik , Adolfsson Hans 
Published: September 2015

AbstractThe asymmetric transfer hydrogenation of α,β‐propargyl ketones catalyzed by an in situ formed ruthenium–hydroxyamide complex was explored. The acetylenic alcohols were isolated in good to excellent yields with excellent ee values (typically >90 %) after short reaction times at room temperature.
Iron(III)‐Catalyzed Cycloisomerizations of Acetal–Vinylidenecyclopropanes: An Efficient Synthetic Route to 1,2‐Disubstituted Cyclobutenes
Authors: Yang Song , Yuan Wei , Xu Qin , Shi Min 
Published: September 2015

AbstractA novel iron(III)‐catalyzed intramolecular cycloisomerization of acetal–vinylidenecyclopropanes to afford a series of halogenated 1,2‐disubstituted cyclobutenes tethered with a tetrahydropyrrole has been developed. The reaction is thought to proceed through a formal iron‐catalyzed Prins cyclization followed by a ring‐enlarging rearrangement of the methylenecyclopropane carbocation. The present protocol provides an alternative route to functionalized disubstituted cyclobutenes and the corresponding products could be successfully transformed into eight‐membered oxacyclic products.
Single‐Molecule Magnetism, Enhanced Magnetocaloric Effect, and Toroidal Magnetic Moments in a Family of Ln4 Squares
Authors: Das Chinmoy , Vaidya Shefali , Gupta Tulika , Frost Jamie M. , Righi Mattia , Brechin Euan K. , Affronte Marco , Rajaraman Gopalan , Shanmugam Maheswaran 
Published: September 2015

AbstractThree cationic [Ln4] squares (Ln=lanthanide) were isolated as single crystals and their structures solved as [Dy4(μ4‐OH)(HL)(H2L)3(H2O)4]Cl2⋅(CH3OH)4⋅(H2O)8 (1), [Tb4(μ4‐OH)(HL)(H2L)3(MeOH)4]Cl2⋅(CH3OH)4⋅(H2O)4 (2) and [Gd4(μ4‐OH)(HL)(H2L)3(H2O)2(MeOH)2]Br2⋅(CH3OH)4⋅(H2O)3 (3). The structures are described as hydroxo‐centered squares of lanthanide ions, with each edge of the square bridged by a doubly deprotonated H2L2− ligand. Alternating current magnetic susceptibility measurements show frequency‐dependent out‐of‐phase signals with two different thermally assisted relaxation processes for 1, whereas no maxima in χM“ appears above 2.0 K for complex 2. For 1, the estimated effective energy barrier for these two relaxation processes is 29 and 100 K. Detailed ab initio studies reveal that complex 1 possesses a toroidal magnetic moment. The ab initio calculated anisotropies of the metal ions in complex 1 were employed to simulate the magnetic susceptibility by using the Lines model (POLY_ANISO) and this procedure yields J1=+0.01 and J2=−0.01 cm−1 for 1 as the two distinct exchange interactions between the DyIII ions. Similar parameters are also obtained for complex 1 (and 2) from specific heat measurements. A very weak antiferromagnetic super‐exchange interaction (J1=−0.043 cm−1 and g=1.99) is observed between the metal centers in 3. The magnetocaloric effect (MCE) was estimated by using field‐dependent magnetization and temperature‐dependent heat‐capacity measurements. An excellent agreement is found for the −ΔSm values extracted from these two measurements for all three complexes. As expected, 3 shows the largest −ΔSm variation (23 J Kg−1 K−1) among the three complexes. The negligible magnetic anisotropy of Gd indeed ensures near degeneracy in the (2S+1) ground state microstates, and the weak super‐exchange interaction facilitates dense population of low‐lying excited states, all of which are likely to contribute to the MCE, making complex 3 an attractive candidate for cryogenic refrigeration.