bluuebunny/crossref_metadata_2025_split huggingface dataset:
Associations Between Slower Walking Speed and T1ρ Magnetic Resonance Imaging of Femoral Cartilage Following Anterior Cruciate Ligament Reconstruction
Authors: Pfeiffer Steven , Harkey Matthew S. , Stanley Laura E. , Blackburn J. Troy , Padua Darin A. , Spang Jeffrey T. , Marshall Stephen W. , Jordan Joanne M. , Schmitz Randy , Nissman Daniel , Pietrosimone Brian 
Published: November 2017

ObjectiveTo determine whether walking speed, collected at 6 and 12 months following anterior cruciate ligament reconstruction (ACLR), is associated with inter‐extremity differences in proteoglycan density, measured via T1ρ magnetic resonance imaging, in tibiofemoral articular cartilage 12 months following ACLR.MethodsTwenty‐one individuals with a unilateral patellar‐tendon autograft ACLR (10 women and 11 men, mean ± SD age 23.9 ± 2.7 years, mean ± SD body mass index 23.9 ± 2.7 kg/m2) were recruited for participation in this study. Walking speed was collected using 3‐dimensional motion capture at 6 and 12 months following ACLR. The articular cartilage of the medial femoral condyle (MFC) and lateral femoral condyle and medial and lateral tibial condyles was manually segmented and subsectioned into 3 regions of interest (anterior, central, and posterior) based on the location of the meniscus in the sagittal plane. Inter‐extremity mean T1ρ relaxation time ratios (T1ρ ACLR extremity / T1ρ contralateral extremity) were calculated and used for analysis. Pearson product‐moment correlations were used to determine associations between walking speed and inter‐extremity differences in T1ρ relaxation time ratios.ResultsSlower walking speed 6 months post‐ACLR was significantly associated with higher T1ρ relaxation time ratios in the MFC of the ACLR extremity 12 months following ACLR (posterior MFC, r = −0.51, P = 0.02; central MFC, r = −0.47, P = 0.04). Similarly, slower walking speed at 12 months post‐ACLR was significantly associated with higher T1ρ relaxation time ratios in the posterior MFC ACLR extremity (r = −0.47, P = 0.04) 12 months following ACLR.ConclusionSlower walking speed at 6 and 12 months following ACLR may be associated with early proteoglycan density changes in medial femoral compartment cartilage health in the first 12 months following ACLR.
From 3D ZIF Nanocrystals to Co–Nx/C Nanorod Array Electrocatalysts for ORR, OER, and Zn–Air Batteries
Authors: Amiinu Ibrahim Saana , Liu Xiaobo , Pu Zonghua , Li Wenqiang , Li Qidong , Zhang Jie , Tang Haolin , Zhang Haining , Mu Shichun 
Published: November 2017

AbstractDesigning a highly active electrocatalyst with optimal stability at low cost is must and non‐negotiable if large‐scale implementations of fuel cells are to be fully realized. Zeolitic‐imidazolate frameworks (ZIFs) offer rich platforms to design multifunctional materials due to their flexibility and ultrahigh surface area. Herein, an advanced Co–Nx/C nanorod array derived from 3D ZIF nanocrystals with superior electrocatalytic activity and stability toward oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) compared to commercial Pt/C and IrO2, respectively, is synthesized. Remarkably, as a bifunctional catalyst (Ej = 10 (OER) − E1/2 (ORR) ≈ 0.65 V), it further displays high performance of Zn–air batteries with high cycling stability even at a high current density. Such supercatalytic properties are largely attributed to the synergistic effect of the chemical composition, high surface area, and abundant active sites of the nanorods. The activity origin is clarified through post oxygen reduction X‐ray photoelectron spectroscopy analysis and density functional theory studies. Undoubtedly, this approach opens a new avenue to strategically design highly active and performance‐oriented electrocatalytic materials for wider electrochemical energy applications.
Highly Efficient Ternary‐Blend Polymer Solar Cells Enabled by a Nonfullerene Acceptor and Two Polymer Donors with a Broad Composition Tolerance
Authors: Xu Xiaopeng , Bi Zhaozhao , Ma Wei , Wang Zishuai , Choy Wallace C. H. , Wu Wenlin , Zhang Guangjun , Li Ying , Peng Qiang 
Published: November 2017

AbstractIn this work, highly efficient ternary‐blend organic solar cells (TB‐OSCs) are reported based on a low‐bandgap copolymer of PTB7‐Th, a medium‐bandgap copolymer of PBDB‐T, and a wide‐bandgap small molecule of SFBRCN. The ternary‐blend layer exhibits a good complementary absorption in the range of 300–800 nm, in which PTB7‐Th and PBDB‐T have excellent miscibility with each other and a desirable phase separation with SFBRCN. In such devices, there exist multiple energy transfer pathways from PBDB‐T to PTB7‐Th, and from SFBRCN to the above two polymer donors. The hole‐back transfer from PTB7‐Th to PBDB‐T and multiple electron transfers between the acceptor and the donor materials are also observed for elevating the whole device performance. After systematically optimizing the weight ratio of PBDB‐T:PTB7‐Th:SFBRCN, a champion power conversion efficiency (PCE) of 12.27% is finally achieved with an open‐circuit voltage (Voc) of 0.93 V, a short‐circuit current density (Jsc) of 17.86 mA cm−2, and a fill factor of 73.9%, which is the highest value for the ternary OSCs reported so far. Importantly, the TB‐OSCs exhibit a broad composition tolerance with a high PCE over 10% throughout the whole blend ratios.
Superelastic Hybrid CNT/Graphene Fibers for Wearable Energy Storage
Authors: Lu Zan , Foroughi Javad , Wang Caiyun , Long Hairu , Wallace Gordon G. 
Published: November 2017

AbstractThe demands for wearable technologies continue to grow and novel approaches for powering these devices are being enabled by the advent of new electromaterials and novel fabrication strategies. Herein, a novel approach is reported to develop superelastic wet‐spun hybrid carbon nanotube graphene fibers followed by electrodeposition of polyaniline to achieve a high‐performance fiber‐based supercapacitor. It is found that the specific capacitance of hybrid carbon nanotube (CNT)/graphene fiber is enhanced up to ≈39% using a graphene to CNT fiber ratio of 1:3. Fabrication of spring‐like coiled fiber coated with an elastic polymer shows an extraordinary elasticity capable of 800% strain while affording a specific capacitance of ≈138 F g−1. The elastic rubber coating enables extreme stretchability and enabling cycles with up to 500% strain for thousands of cycles with no significant change in its performance. Multiple supercapacitors can be easily assembled in series or parallel to meet specific energy and power needs.
Single Metal Ohmic and Rectifying Contacts to ZnO Nanowires: A Defect Based Approach
Authors: Jarjour Alexander , Cox Jon W. , Ruane William T. , Von Wenckstern Holger , Grundmann Marius , Brillson Leonard J. 
Published: November 2017

AbstractOhmic and rectifying metal contacts to semiconductor nanowires are integral to electronic device structures and typically require different metals and different process techniques to form. Here we show how a noble metal ion beam of Pt commonly used to pattern conducting contacts in electron microscopes can form both ohmic and Schottky/blocking contacts on ZnO nanowires by controlling native point defects at the intimate metal‐semiconductor interface. Spatially‐resolved cathodoluminescence spectroscopy on a nanoscale both laterally and in depth gauges the nature, density, and spatial distribution of specific native point defects inside the nanowires and at their metal interfaces. Combinations of electron and ion beam deposition, annealing, and sculpting of the same nanowire provide either low contact resistivity ohmic contacts or a high Schottky/blocking barrier with a single metal source. These results highlight the importance of native point defects distributed inside nanowires and their variation near interfaces with sculpting and annealing.
CO Hydrogenation on Cobalt‐Based Catalysts: Tin Poisoning Unravels CO in Hollow Sites as a Main Surface Intermediate
Authors: Paredes‐Nunez Anaëlle , Lorito Davide , Burel Laurence , Motta‐Meira Debora , Agostini Giovanni , Guilhaume Nolven , Schuurman Yves , Meunier Frederic 
Published: November 2017

AbstractSite poisoning is a powerful method to unravel the nature of active sites or reaction intermediates. The nature of the intermediates involved in the hydrogenation of CO was unraveled by poisoning alumina‐supported cobalt catalysts with various concentrations of tin. The rate of formation of the main reaction products (methane and propylene) was found to be proportional to the concentration of multi‐bonded CO, likely located in hollow sites. The specific rate of decomposition of these species was sufficient to account for the formation of the main products. These hollow‐CO are proposed to be main reaction intermediates in the hydrogenation of CO under the reaction conditions used here, while linear CO are mostly spectators.
A Hierarchical MFI Zeolite with a Two‐Dimensional Square Mesostructure
Authors: Shen Xuefeng , Mao Wenting , Ma Yanhang , Xu Dongdong , Wu Peng , Terasaki Osamu , Han Lu , Che Shunai 
Published: November 2017

AbstractA conceptual design and synthesis of ordered mesoporous zeolites is a challenging research subject in material science. Several seminal articles report that one‐dimensional (1D) mesostructured lamellar zeolites are possibly directed by sheet‐assembly of surfactants, which collapse after removal of intercalated surfactants. However, except for one example of two‐dimensional (2D) hexagonal mesoporous zeolite, no other zeolites with ordered 2D or three‐dimensional (3D) mesostructures have been reported. An ordered 2D mesoporous zeolite can be templated by a cylindrical assembly unit with specific interactions in the hydrophobic part. A template molecule with azobenzene in the hydrophobic tail and diquaternary ammonium in the hydrophilic head group directs hierarchical MFI zeolite with a 2D square mesostructure. The material has an elongated octahedral morphology, and quaternary, ordered, straight, square channels framed by MFI thin sheets expanded along the a–c planes and joined with 90° rotations. The structural matching between the cylindrical assembly unit and zeolite framework is crucial for mesostructure construction.
A Scandium‐Stabilized Diisophosphaethynolate Ligand: [OCPPCO]4−
Authors: Grant Lauren N. , Pinter Balazs , Manor Brian C. , Grützmacher Hansjörg , Mindiola Daniel J. 
Published: November 2017

AbstractThe first example of the OCPPCO ligand, diisophosphaethynolate, is reported via reductive coupling of a Sc−OCP precursor. Upon reduction with KC8, isolation of the dinuclear complex, namely [K(OEt2)]2[(nacnac)Sc(OAr)]2(OCPPCO), is observed, leading to a unique motif [OCPPCO]4−, stabilized by two scandium centers. Detailed NMR spectra of all complexes as well as IR and single crystal X‐ray studies were obtained to fully elucidate the nature of these complexes in solution as well as in the solid state. Theory is combined to probe the electronic structure and orbitals responsible for the bonding interactions in the Sc−OCPPCO−Sc skeleton but also to compare to the linear mode observed in the precursor.
Enhanced degradation properties of polypropylene integrated with iron and cobalt stearates and its synthetic application
Authors: Subramaniam Malini , Sharma Swati , Gupta Arun , Abdullah Norhayati 
Published: November 2017

ABSTRACTSynthetic plastic leads to environmental contamination, and a promising solution to this problem is to use prooxidants as fillers within them to speed up the photooxidation and thermooxidation processes. This makes plastics more susceptible to biodegradation. In this study, the degradation properties of the widely used polymer polypropylene (PP) were improved by integration with cobalt stearate (CoSt2) and iron stearate (FeSt3) as prooxidants with accelerating weathering degradation. The metal stearates were blended with PP in the concentration range 0.1–0.9% w/w. The properties of the blends were studied by mechanical properties testing, thermogravimetric analysis, differential scanning calorimetry, and water absorption measurement. We performed the degradation properties and thermooxidative studies by conducting an accelerated weathering test on PP–metal salt blends. Fourier transform infrared spectroscopy and scanning electron microscopy analysis of the samples before and after the accelerated weathering test were performed to study the extent of degradation in PP‐based metal salt blends. The results indicate that the tensile strength was inversely proportional to the concentration of metal stearates, and the samples showed an increased degree in polymer crystallinity (PPFe5 > PPCo5), and this led to the degradation of PP in less time. CoSt2 predominantly enhanced the degradation of PP in comparison to FeSt3. Food containers and pots were constructed with the tailored polymers of PP in the injection‐molding machine. Thus, metal‐stearate‐integrated polymers have great industrial potential to generate value‐added products. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46028.
Decorated‐magnetic‐nanoparticle‐supported bromine as a recyclable catalyst for the oxidation of sulfides
Authors: Hu Yanfang , Ma Weiqian , Tao Meilin , Zhang Xueyan , Wang Xiaohong , Wang Xiaoyu , Chen Li 
Published: November 2017

ABSTRACTHerein, we present a strategy for supporting bromine as a catalyst for the oxidation of sulfides. In this strategy, branched poly(ethylene imine) was first decorated by magnetic oxide and then used to support liquid bromine to obtain solid polymeric bromine (M@PEI@Br) nanoparticles. Compared with free bromine, the stability of the M@PEI@Br nanoparticles improved obviously. The oxidation of thioanisole to methyl phenyl sulfoxide was chosen as a reaction model to evaluate the catalytic activity of the M@PEI@Br nanoparticles. All of the obtained results verify that the M@PEI@Br nanoparticles exhibited excellent catalytic efficiency and could accelerate the oxidation process under solvent‐free conditions at room temperature; this highlighted the potential of decorated polymers to support active and unstable small‐molecule organic catalysts. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46036.
Revisit the Cavernous Sinus from Fetus to Adult—New and Old Data
Authors: CHOW MAGGIE S. M. , WU SHARON L. , HUI VIVIAN , CHOW TONY C. H. , YEW D. T. 
Published: November 2017

ABSTRACTThis article highlighted three advances in the study of the cavernous sinus: (1) the initial formation of the sinus reticulum in early development of the sphenoid bone before ossification (2) extension of reticulum of the sinus and connection with other venules, and (3) the cavernous sinus and the nerves evolved inside this sinus during gestation, for example, the trigeminal nerve already formed bundles of motor and parasympathetic components during fetal development. This ontogenetic study further confirmed the cavernous sinus is not a single or a dual set of sinuses, but a group of extensions of venous sinuses or sinusoids. These new insights were integrated with previous understandings of the cavernous sinus to form this review article. Anat Rec, 301:819–824, 2018. © 2017 Wiley Periodicals, Inc.
An Activated TiC–SiC Composite for Natural Gas Upgrading via Catalytic Oxyhalogenation
Authors: Zichittella Guido , Puértolas Begoña , Siol Sebastian , Paunović Vladimir , Mitchell Sharon , Pérez‐Ramírez Javier 
Published: November 2017

AbstractAlkane oxyhalogenation has emerged as an attractive catalytic route for selective natural gas functionalization to important commodity chemicals, such as methyl halides or olefins. However, few systems have been shown to be active and selective in these reactions. Here, we identify a novel and highly efficient TiC–SiC composite for methane and ethane oxyhalogenation. Detailed characterization elucidates the kinetics and mechanism of the selective activation under reaction conditions to yield TiO2–TiC–SiC. This catalyst outperforms bulk TiO2, one of the best reported catalysts, reaching up to 85 % selectivity and up to 3 times higher titanium‐specific space‐time‐yield of methyl halides or ethylene. This is attributed to the fact that the active TiO2 phase generated in situ is embedded in the thermally conductive SiC matrix, facilitating heat dissipation thus improving selectivity control.
Tunable Emission from Fluorescent Organic Nanoparticles in Water: Insight into the Nature of Self‐Assembly and Photoswitching
Authors: Gulyani Akash , Dey Nilanjan , Bhattacharya Santanu 
Published: November 2017

AbstractExcitation‐dependent tuning of the emission behavior of fluorescent organic nanoparticles (FONs) with two simple luminescent pyrenyl–pyridyl conjugates as model systems is demonstrated. In the case of the compound with a flexible bis‐picolyl moiety, the simultaneous presence of multiple ground‐state species with distinct absorption and emission characteristics can be observed. The relative ratios of these species can easily be modulated, and it is possible to selectively stimulate any one of them individually by choosing an appropriate excitation channel. Moreover, at high concentration, a drastic change in the nature of the self‐assembly is observed, which shifts from donor–acceptor‐type self‐assembly to exciplex‐type self‐agglomeration. On the contrary, the compound containing a rigid terpyridine unit has only a single ground state and shows no such tunable emission. However, it can exhibit multiple emission bands in water, whereby the positions of their emission maxima depend on the extent of aggregation‐induced planarization of the probe molecules. Overall, this work demonstrates multimodal modulation of FON emission and a gives insight into how molecular order can translate into complete switching of nanoparticle self‐assembly and photophysics.
Soft Chemistry, Coloring and Polytypism in Filled Tetrahedral Semiconductors: Toward Enhanced Thermoelectric and Battery Materials
Authors: White Miles A. , Medina‐Gonzalez Alan M. , Vela Javier 
Published: November 2017

AbstractFilled tetrahedral semiconductors are a rich family of compounds with tunable electronic structure, making them ideal for applications in thermoelectrics, photovoltaics, and battery anodes. Furthermore, these materials crystallize in a plethora of related structures that are very close in energy, giving rise to polytypism through the manipulation of synthetic parameters. This Minireview highlights recent advances in the solution‐phase synthesis and nanostructuring of these materials. These methods enable the synthesis of metastable phases and polytypes that were previously unobtainable. Additionally, samples synthesized in solution phase have enhanced thermoelectric performance due to their decreased grain size.
Acid‐Triggered O−O Bond Heterolysis of a Nonheme FeIII(OOH) Species for the Stereospecific Hydroxylation of Strong C−H Bonds
Authors: Serrano‐Plana Joan , Acuña‐Parés Ferran , Dantignana Valeria , Oloo Williamson N. , Castillo Esther , Draksharapu Apparao , Whiteoak Christopher J. , Martin‐Diaconescu Vlad , Basallote Manuel G. , Luis Josep M. , Que Lawrence , Costas Miquel , Company Anna 
Published: November 2017

AbstractA novel hydroperoxoiron(III) species [FeIII(OOH)(MeCN)(PyNMe3)]2+ (3) has been generated by reaction of its ferrous precursor [FeII(CF3SO3)2(PyNMe3)] (1) with hydrogen peroxide at low temperatures. This species has been characterized by several spectroscopic techniques and cryospray mass spectrometry. Similar to most of the previously described low‐spin hydroperoxoiron(III) compounds, 3 behaves as a sluggish oxidant and it is not kinetically competent for breaking weak C−H bonds. However, triflic acid addition to 3 causes its transformation into a much more reactive compound towards organic substrates that is capable of oxidizing unactivated C−H bonds with high stereospecificity. Stopped‐flow kinetic analyses and theoretical studies provide a rationale for the observed chemistry, a triflic‐acid‐assisted heterolytic cleavage of the O−O bond to form a putative strongly oxidizing oxoiron(V) species. This mechanism is reminiscent to that observed in heme systems, where protonation of the hydroperoxo intermediate leads to the formation of the high‐valent [(Porph.)FeIV(O)] (Compound I).
Direct Correlation of Excitonics with Efficiency in a Core–Shell Quantum Dot Solar Cell
Authors: Dana Jayanta , Maiti Sourav , Tripathi Vaidehi S. , Ghosh Hirendra N. 
Published: November 2017

AbstractShell thickness dependent band‐gap engineering of quasi type II core–shell material with higher carrier cooling time, lower interfacial defect states, and longer charge carrier recombination time can be a promising candidate for both photocatalysis and solar cell. In the present investigation, colloidal CdSe@CdS core–shells with different shell thickness (2, 4 and 6 monolayer CdS) were synthesized through hot injection method and have been characterized by high resolution transmission electron microscope (HRTEM) followed by steady state absorption and luminescence techniques. Ultrafast transient absorption (TA) studies suggest longer carrier cooling, lower interfacial surface states, and slower carrier recombination time in CdSe@CdS core–shell with increasing shell thickness. By TA spectroscopy, the role of CdS shell in power conversion efficiency (PCE) has been explained in detail. The measured PCE was found to initially increase and then decrease with increasing shell thickness. Shell thickness has been optimized to maximize the efficiency after correlating the shell controlled carrier cooling and recombination with PCE values and a maximum PCE of 3.88 % was obtained with 4 monolayers of CdS shell, which is found to be 57 % higher than compared to bare CdSe QDs.
Late‐adoptions in adolescence: Can attachment and emotion regulation influence behaviour problems? A controlled study using a moderation approach
Authors: Pace Cecilia Serena , Di Folco Simona , Guerriero Viviana 
Published: November 2017

A growing body of research suggests that, compared to normative adolescence, adoptive adolescence could be considered a specific risk condition characterized by more psychiatric problems, attachment insecurity, and emotional regulation difficulties as consequences of negative experiences in preadoption relationships. The current study explores (a) a moderation model of adoption status on the association between attachment representations (secure, dismissing, preoccupied, and disorganized) and behavioural problems and (b) a moderation model of adoption status on the association between emotion regulation processes (cognitive reappraisal and expressive suppression) and behavioural problems. Both the moderation models were controlled for verbal skills. Forty‐six adopted adolescents and a control group of 34 nonadopted peers (12–16 years old) living with both their biological parents were assessed using the Friends and Family Interview, the Emotion Regulation Questionnaire for Children and Adolescents, the Child Behaviour Check List 6–18, and the verbal subtests of the Wechsler Intelligence Scale for Children, the latter as control measure. Results showed that adoption status (but not attachment) positively predicted externalizing and total behaviour problems, whereas attachment disorganization (but not adoption status) positively predicted internalizing problems in both group. Moreover, low cognitive reappraisal had a negative impact on externalizing problems only for adopted adolescents, but not for nonadopted youths. The clinical implications of these findings are discussed in order to enhance effective intervention with adopted adolescents and their parents.