bluuebunny/crossref_metadata_2025 huggingface dataset:
Towards broad spectrum activity-based glycosidase probes: synthesis and evaluation of deoxygenated cyclophellitol aziridines
Authors: Schröder Sybrin P. , van de Sande Jasper W. , Kallemeijn Wouter W. , Kuo Chi-Lin , Artola Marta , van Rooden Eva J. , Jiang Jianbing , Beenakker Thomas J. M. , Florea Bogdan I. , Offen Wendy A. , Davies Gideon J. , Minnaard Adriaan J. , Aerts Johannes M. F. G. , Codée Jeroen D. C. , van der Marel Gijsbert A. , Overkleeft Herman S.
Published: November 2017

Deoxygenated cyclophellitol aziridines enable activity-based inter-class labeling of glycosidases including LC-MS/MS identification.
Correction: pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties
Authors: Saha Rajat , Biswas Susobhan , Mostafa Golam
Published: November 2017

Correction for ‘pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties’ by Rajat Saha et al., CrystEngComm, 2011, 13, 1018–1028.
Hydration of iron–porphyrins:ab initioquantum mechanical charge field molecular dynamics simulation study
Authors: Moin Syed Tarique , Hofer Thomas S.
Published: November 2017

Theab initioquantum mechanical charge field molecular dynamics (QMCF-MD) simulation approach was successfully applied to Fe2+–P and Fe3+–P in water to evaluate their structural, dynamical and energetic properties.
Acid–base machines: electrical work from neutralization reactions
Authors: Lima Gilberto , Morais William G. , Gomes Wellington J. A. S. , Huguenin Fritz
Published: November 2017

Sustainable wastewater treatment: acid–base machines perform work from entropic energy for operations between acid and base reservoirs.
An analysis of the explosion limits of hydrogen/oxygen mixtures with nonlinear chain reactions
Authors: Liang Wenkai , Law Chung K.
Published: November 2017

The ignition boundary of hydrogen/oxygen mixtures is a Z-shaped curve in the pressure–temperature space, demonstrating the existence of three explosion limits.
Sub-Doppler infrared spectroscopy of resonance-stabilized hydrocarbon intermediates: ν3/ν4 CH stretch modes and CH2 internal rotor dynamics of benzyl radical
Authors: Kortyna A. , Samin A. J. , Miller T. A. , Nesbitt D. J.
Published: November 2017

Sub-Doppler spectroscopy of benzyl radicals reveals how resonance stabilization provides for rovibrationally well resolved and relatively perturbation-free spectra in the CH stretch region.
Interdiffusion and crystallization of oppositely charged colloids
Authors: Cerbelaud Manuella , Tran Công Tâm , Ferrando Riccardo , Crespin Benoît , Videcoq Arnaud
Published: November 2017

Innovative way of controlling colloidal heteroaggregation.
Microsecond resolved single-molecule FRET time series measurements based on the line confocal optical system combined with hybrid photodetectors
Authors: Oikawa Hiroyuki , Takahashi Takumi , Kamonprasertsuk Supawich , Takahashi Satoshi
Published: November 2017

Line confocal microscopy combined with hybrid photodetectors achieves a time resolution of 10 μs and an observation time of approximately 5 ms in single-molecule FRET time series measurements.
A theoretical prediction on the shear-induced phase transformation of TKX-50
Authors: Lu Zhipeng , Xue Xianggui , Zhang Chaoyang
Published: November 2017

Dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50) is a new and attractive energetic material that outperforms numerous common explosives because of its excellent properties and performance, and is thus a promising candidate to replace some of them.
Photodissociation of ethylphenylcobalamin antivitamin B12
Authors: Lodowski Piotr , Ciura Karolina , Toda Megan J. , Jaworska Maria , Kozlowski Pawel M.
Published: November 2017

Biologically active forms of cobalamins are crucial cofactors in biochemical reactions and these metabolites can be inhibited by their structurally similar analogues known as antivitamins B12.
Structure of in cell protein crystals containing organometallic complexes
Authors: Abe Satoshi , Atsumi Kohei , Yamashita Keitaro , Hirata Kunio , Mori Hajime , Ueno Takafumi
Published: November 2017

The molecular structures of in cell protein crystals containing organometallic Pd(allyl) complexes were determined by performing microfocus X-ray diffraction experiments.
Quinone-based fluorophores for imaging biological processes
Authors: Dias Gleiston G. , King Aaron , de Moliner Fabio , Vendrell Marc , da Silva Júnior Eufrânio N.
Published: November 2017

This tutorial review covers recent advances in the design, synthesis and application of quinone-based fluorescent agents for visualizing specific processes in multiple biological systems, from cells to tissues and complex organismsin vivo.
Emerging investigator series: the effect of wildfire on streamwater mercury and organic carbon in a forested watershed in the southeastern United States
Authors: Jensen Allison M. , Scanlon Todd M. , Riscassi Ami L.
Published: November 2017

The amount of streamwater mercury associated with suspended solids was an order of magnitude greater following a low-intensity wildfire.
RNA-mediated TILDA for improved cell capacity and enhanced detection of multiply-spliced HIV RNA
Authors: Pezzi Hannah M. , Berry Scott M. , Beebe David J. , Striker Rob
Published: November 2017

Exclusion-based Sample Preparation enables simple multiplexed RNA extractions to enhance detection of rare, multiply spliced HIV RNA events.
A highly water-soluble, sensitive, coumarin-based fluorescent probe for detecting thiols, and its application in bioimaging
Authors: Guo Lan , Yang Daoshan , Xia Lian , Qu Fei , Dou Yanan , Qu Fengli , Kong Rongmei , You Jinmao
Published: November 2017

In this study, a coumarin-based probe (probe 1) bearing a maleimide group was used to rapidly and selectively detect thiols.
Study of iron oxide nanoparticle phases in graphene aerogels for oxygen reduction reaction
Authors: Karunagaran Ramesh , Coghlan Campbell , Tung Tran Thanh , Kabiri Shervin , Tran Diana N. H. , Doonan Christian J. , Losic Dusan
Published: November 2017

Four iron oxide phases incorporated in a graphene support were examined; differences in their catalytic properties depended on their phases.
Monolithic carbon foam-supported Au nanoparticles with excellent catalytic performance in a fixed-bed system
Authors: Liu Xiang , Li Yan , Xing Zheng , Zhao Xiaohua , Liu Ningning , Chen Fangyuan
Published: November 2017

A MCF/Au monolith can be innovatively utilized to construct a fixed-bed system, which exhibits exceptional reduction performance for 4-nitrophenol.
Rare, hypodentate L-κS coordination mode of N,N-dialkyl-N′-aroylthioureas leads to unprecedented mixed-ligand [Pt(phen)(L-κS)2] complexes
Authors: Kotzé Izak A. , Smith Vincent J. , Kangara Edmore F. , Koch Klaus R.
Published: November 2017

Unprecedented [Pt(phen)(L1-κS)2] complexes with two N,N-dibutyl-N′-1-naphthoyl-thioureato molecules coordinated in a rare, hypodentate (L-κS)− mode, stabilised by intra-molecular π–cation type stacking have been isolated. In contrast N,N-diethyl-N′-pivaloyl-thiourea, binds in a bidentate (L-κS,O) mode to give the [Pt(phen)(L3-κS,O)]+ species, the [Pt(phen)(L3-κS)2] complex being unstable.
A physically cross-linked self-healable double-network polymer hydrogel as a framework for nanomaterial
Authors: Zhuang Yuan , Kong Yan , Han Kun , Hao Haotian , Shi Baoyou
Published: November 2017

Physically cross-linked double-network hydrogels with different first networks act as a framework for graphene.
UV-assisted, template-free electrodeposition of germanium nanowire cluster arrays from an ionic liquid for anodes in lithium-ion batteries
Authors: Chi Caixia , Hao Jian , Liu Xusong , Ma Xiaoxuan , Yang Yu , Liu Xiaoxu , Endres Frank , Zhao Jiupeng , Li Yao
Published: November 2017

The structure of Ge nanowire cluster arrays is beneficial for capacity retention of the electrode.
Hierarchical self-assembly of enantiopure and racemic helicenes at the liquid/solid interface: from 2D to 3D
Authors: Cao Hai , Minoia Andrea , De Cat Inge , Seibel Johannes , Waghray Deepali , Li Zhi , Cornil David , Mali Kunal S. , Lazzaroni Roberto , Dehaen Wim , De Feyter Steven
Published: November 2017

The many ways helicenes assemble at the molecular level eventually evolve into complex crystalline forms on a macroscopic scale.
Secondary-amine-functionalized isoreticular metal–organic frameworks for controllable and selective dye capture
Authors: Tan Jing , Zhou Beibei , Liang Congcong , Zinky Hannah , Zhou Hao-Long , Zhang Yue-Biao
Published: November 2017

Two new secondary-amine-functionalized isoreticular metal–organic frameworks exhibit selective cationic dye capture, metal-ion-dependent adsorption kinetics, and controllable dye release behaviours.
Pyridinium salts: from synthesis to reactivity and applications
Authors: Sowmiah Subbiah , Esperança José M. S. S. , Rebelo Luís P. N. , Afonso Carlos A. M.
Published: November 2017

This review highlights the pyridinium salts in terms of their natural occurrence, synthesis, reactivity, biological properties, and diverse applications.
Effect of PET graft coated with silk fibroin via EDC/NHS crosslink on graft-bone healing in ACL reconstruction
Authors: Ai Chengchong , Cai Jiangyu , Zhu Jun , Zhou Juan , Jiang Jia , Chen Shiyi
Published: November 2017

SF coating via EDC/NHS crosslink improved the osseointegration of PET ligaments within the bone tunnel.
Insight into the excited-state double proton transfer mechanisms of doxorubicin in acetonitrile solvent
Authors: Liu Xiaoyan , Zhao Jinfeng , Zheng Yujun
Published: November 2017

Doxorubicin (DXR) is theoretically investigated with an aim to explore the excited-state intramolecular double proton transfer (ESIDPT) mechanism regarding stepwise versus synchronous double proton transfer.
Synthesis of different structured FePO4 for the enhanced conversion of methyl cellulose to 5-hydroxymethylfurfural
Authors: Liu Yong , Li Zili , You Yaohui , Zheng Xiaogang , Wen Jing
Published: November 2017

Catalytic mechanism of FePO4 for the conversion of methyl cellulose into 5-HMF.
TiCl4/DMAP mediated Z-selective knovenagel condensation of isatins with nitroacetates and related compounds
Authors: Zhu Luyi , Yan Peipei , Zhang Lvye , Chen Zhangtao , Zeng Xiaofei , Zhong Guofu
Published: November 2017

A Z-selective Knovenagel condensation reaction of isatins with nitroacetates and related compounds mediated by TiCl4 and DMAP was described.
One pot green preparation ofSeabuckthornsilver nanoparticles (SBT@AgNPs) featuring high stability and longevity, antibacterial, antioxidant potential: a nano disinfectant future perspective
Authors: Kalaiyarasan Thiyagarajan , Bharti Vijay K. , Chaurasia O. P.
Published: November 2017

In recent years antimicrobial resistance (AMR) threatens the effective prevention and treatment of an ever-increasing range of infections caused by bacteria, parasites, viruses, fungi and development of effective therapeutics is a major challenge to the scientific community.
Alkaloids from the flower of Erythrina arborescens
Authors: Wu Jing , Zhang Bing-Jie , Xiao Wen-Na , Bao Mei-Fen , Cai Xiang-Hai
Published: November 2017

Phytochemical investigations on the flower of Erythrina arborescens resulted in the isolation of eight new Erythrina alkaloid, erytharborines A–H (1–8), together with 17 known alkaloids.
Stagnation point flows in analytical chemistry and life sciences
Authors: Brimmo Ayoola T. , Qasaimeh Mohammad A.
Published: November 2017

Isolated microfluidic stagnation points – formed within microfluidic interfaces – have come a long way as a tool for characterizing materials, manipulating micro particles, and generating confined flows and localized chemistries.
Structuring polymer gelsviacatalytic reactions
Authors: Hugouvieux Virginie , Kob Walter
Published: November 2017

Due to the catalytically-induced increase in attractive monomers, the polymer sol turns into a structured gel at low temperature.
Self-assembly of cubic colloidal particles at fluid–fluid interfaces by hexapolar capillary interactions
Authors: Soligno Giuseppe , Dijkstra Marjolein , van Roij René
Published: November 2017

Colloidal particles adsorbed at fluid–fluid interfaces can self-assemble, thanks to capillary interactions, into 2D ordered structures.
Electroconvection of pure nematic liquid crystals without free charge carriers
Authors: Lee Kuang-Wu , Pöschel Thorsten
Published: November 2017

Extraordinary electroconvection is found in pure NLCs, sharing similar features such as climb/glide defect motions in dye-doped electroconvection.
High dielectric constant conjugated materials for organic photovoltaics
Authors: Brebels Jeroen , Manca Jean V. , Lutsen Laurence , Vanderzande Dirk , Maes Wouter
Published: November 2017

Efforts to increase the relative permittivities of organic semiconducting materials and their effect on organic solar cell performance are evaluated.
In situformation of a carbon fiber@Ni3S2non-woven electrode with ultrahigh areal and volumetric capacitance
Authors: Chen Yuanzhen , Zhou Tengfei , Liu Yongning , Guo Zaiping
Published: November 2017

A carbon fiber@Ni3S2non-woven structured electrode was prepared by electroplating a nickel layer on the surface of carbon paper fibers, and then carbon fiber@Ni3S2wasin situformed by a vulcanization reaction.
A microfluidic chip with double-sided herringbone microstructures for enhanced capture of rare tumor cells
Authors: Wang Minjiao , Wang Zhihua , Zhang Mingkan , Guo Wei , Li Ning , Deng Yuliang , Shi Qihui
Published: November 2017

This paper reports an analytical model to geometrically optimize a herringbone chip by investigating the interactions between cells and antibody-immobilized device surfaces for enhancing CTC capture efficiency.
Antibacterial activity and osseointegration of silver-coated poly(ether ether ketone) prepared using the polydopamine-assisted deposition technique
Authors: Gao Changcheng , Wang Yong , Han Fengxuan , Yuan Zhangqin , Li Qiang , Shi Chen , Cao Weiwei , Zhou Pinghui , Xing Xiaodong , Li Bin
Published: November 2017

PEEK-PDA-Ag substrates may be a promising orthopaedic implant material due to the outstanding biocompatibility and antibacterial properties.
A photostable cationic fluorophore for long-term bioimaging
Authors: Wang Lei , Xia Qi , Hou Meirong , Yan Chenggong , Xu Yikai , Qu Jinqing , Liu Ruiyuan
Published: November 2017

The use of a bright and photostable cationic fluorophore for long-term bioimaging in vitro and in vivo is reported.
Designing properties of (Na1/2Bix)TiO3-based materials through A-site non-stoichiometry
Authors: Frömling Till , Steiner Sebastian , Ayrikyan Azatuhi , Bremecker Daniel , Dürrschnabel Michael , Molina-Luna Leopoldo , Kleebe Hans-Joachim , Hutter Herbert , Webber Kyle G. , Acosta Matias
Published: November 2017

Modification of microstructure and electrical properties due to high A-site diffusion of cations induced by non-stoichiometry during processing.
Effect of Cu/In ratio and shell thickness on the photo-stability of CuInS2/ZnS nanocrystals
Authors: Huang Bo , Xu Ruilin , Zhang Lei , Yuan Yufen , Lu Changgui , Cui Yiping , Zhang Jiayu
Published: November 2017

This report discusses the influence of Cu/In ratio and shell thickness on two types of donor and acceptor pair recombinations in CuInS2/ZnS nanocrystals.
Triphenylethylenyl-based donor–acceptor–donor molecules: studies on structural and optical properties and AIE properties for cyanide detection
Authors: Chua Ming Hui , Zhou Hui , Lin Ting Ting , Wu Jishan , Xu Jianwei
Published: November 2017

Triphenylethylenyl-based donor–acceptor–donor molecules are synthesized and they exhibit a strong response to cyanide ions.
Bicolour electroluminescence of 2-(carbazol-9-yl)anthraquinone based on a solution process
Authors: Huang Bin , Li Zijing , Yang Hui , Hu Die , Wu Wenjing , Feng Yan , Sun Yueming , Lin Baoping , Jiang Wei
Published: November 2017

Mechanochromic luminescence, thermally activated delayed fluorescence, aggregation-induced emission, and electroluminescence properties are combined in a single organic molecule, 2-(carbazol-9-yl)-anthraquinone (Cz-AQ).
Autoantibodies against AT1 and α1-adrenergic receptors predict arterial stiffness progression in normotensive subjects over a 5-year period
Authors: Li Gang , Cao Zhe , Wu Xiao-wei , Wu Hui-kun , Ma Yi , Wu Bin , Wang Wei-qing , Cheng Jian , Zhou Zi-hua , Tu Yuan-chao
Published: November 2017

Arterial stiffness is an independent indicator of cardiovascular risk. Autoantibodies (AAs) against angiotensin AT1 receptor (AT1-AAs) and α1-adrenergic receptor (α1-AAs) are important in the pathogenesis of hypertension. We identified the types of AT1-AAs and α1-AAs in normotensive subjects, with the aim of determining whether these antibodies predict aortic stiffness progression. Carotid–femoral pulse wave velocity (cf-PWV) was used to measure aortic stiffness. Overall, 816 subjects (71% of those invited) underwent a medical examination and evaluation of aortic stiffness. The types of AT1-AAs and α1-AAs were measured at baseline. Meanwhile, plasma renin, angiotensin II (Ang II), and norepinephrine (NE) concentrations were measured at baseline and follow-up. Baseline mean cf-PWV was 9.90 ± 0.84 m/s and follow-up was 10.51 ± 1.12 m/s. The annualized ΔPWV was 0.12 ± 0.08 m/s/year. At the end of follow-up, 129 normotensive subjects developed hypertension and 144 subjects had PWV progression. After adjustment for covariates, AA type was independently associated with ΔPWV, annualized ΔPWV, and abnormal PWV. In our study, the risk of developing hypertension (RR =2.028, 95% CI: 1.227–3.351, P=0.006) and PWV progression (RR =2.910, 95% CI: 1.612–5.253, P<0.001) in AA-positive subjects was significantly higher than that in AA-negative subjects. Receiver operating characteristic (ROC) curve showed AA had an identify power to discriminate subjects with or without PWV and hypertension progression. We have shown for the first time that the types of A1-AAs and α1-AAs are independent predictors for aortic stiffness progression in normotensive subjects. Our data collectively support the utility of these AAs as potential markers of aortic stiffness.
Magnetic equivalent circuit modelling of ring winding axial flux machine
Authors: Ojaghlu Pourya , Vahedi Abolfazl , Totoonchian Farid
Published: November 2017

This study presents magnetic equivalent circuit (MEC) model of ring winding axial flux machine (AFM). The ring winding AFM is a new permanent magnet topology that presents many advantages like reliability, simple construction, low cost and ease of increasing pole and phase numbers. For optimal design of this new type of machine, a fast and accurate performance analysis tool is needed. In this regard, MEC model of the ring winding AFM is proposed. It is shown that the developed MEC model of the ring winding AFM provides very fast solution, yet accurate results compared with three‐dimensional finite‐element model (3D FEM). The proposed MEC model considers 3D geometry, magnetic saturation, leakage fluxes and rotor position. Furthermore, this study provides equations to consider fringing flux between arc segmented surface mounted permanent magnets and stator teeth. Experimental and 3D FEM results are employed to show the validity of the proposed MEC model.
Cascaded interference suppression method based on sparse representation for airborne passive radar
Authors: Deng Yaqi , Wang Jun , Wang Jue , Lyv Xiaoyong
Published: November 2017

In this study, a novel cascaded interference suppression method based on sparse representation (SR) is proposed for a passive airborne radar, which suffers from severe background interference due to the random range side‐lobes coupling (RRSC) effect of the strong interference signals. The sparse nature of the RRSC covariance matrix is analysed and the SR is integrated into the proposed method accordingly, which reduces the computational complexity greatly without degrading the performance in interference suppression. Moreover, the proposed method is insensitive to the selection of the suppression order, which should be carefully selected in the traditional methods according to the prior information of the interference signals. A range of simulations have been conducted in the study to test the proposed method.
Arylation of Amide and Urea C(sp3)–H Bonds with Aryl Tosylates Generated In Situ from Phenols
Authors: Zhou Wen-Jun , Yu Da-Gang , Gui Yong-Yuan , Chen Xiao-Wang
Published: November 2017

The arylation of amide and urea C(sp3)–H bonds with aryl tosylates generated in situ from phenols has been realized at room temperature by combining visible-light-photoredox catalysis, hydrogen-atom-transfer catalysis, and nickel catalysis. This streamlined protocol permits rapid functionalization of phenols and direct transformation of α-amino C(sp3)–H bonds. The C(sp3)–H arylation products are obtained in high yields with good functional-group tolerance at low catalyst loadings.
A Suzuki-Coupling-Based Generalized Route for the Synthesis of 2-(2/3-Thienyl)cycloalk-1-ene-1-carbaldehydes as Precursors for Condensed Thienophenanthraquinones
Authors: Kar Gandhi , Sarkar Aparna , Das Rumpa
Published: November 2017

A one-pot, simple, and general method is described for the synthesis of 2-(2/3-thienyl)cycloalk-1-ene-1-carbaldehydes by means of a Pd(0)-catalyzed Suzuki coupling reactions of 2- or 3-thienylboronic acids with 2-bromocycloalk-1-en-1-carbaldehyde derivatives.
Tratamiento de la Disociación Escafolunar mediante tenodesis y ligamentoplastia con el Extensor Carpi Radialis Brevis por un único abordaje
Authors: Barreiro G. , Bestilleiro A. , Trobajo M. , Vázquez J.
Published: November 2017

Puede decirse que el conocimiento de la etiología, fisiopatología y estados evolutivos de la Disociación Escafolunar (DEL) actualmente es amplio, pero continúa existiendo mucha controversia en cuanto a su tratamiento, siendo ésta una cuestión de la patología carpiana aún no resuelta. En este artículo presentamos una nueva técnica quirúrgica basada en la perfecta reducción de la diástasis y en el mantenimiento del escafoides y semilunar en su posición idónea mediante una tenodesis en el escafoides y una ligamentoplastia entre éste y el semilunar. Con la ventaja de que para ambos fines se emplea el tendón del extensor carpi radialis brevis por una única vía de abordaje y con una técnica sencilla.
A Comparison of the Nulliparous-Term-Singleton-Vertex and Society of Maternal–Fetal Medicine Cesarean Birth Metrics Based on Hospital Size
Authors: Walker Suzan , Hedriana Herman , Wiesner Suzanne , Pelletreau Barbara , Hitti Jane , Benedetti Thomas , Shields Laurence
Published: November 2017

Objective The purpose of this study was to compare the nulliparous-term-singleton-vertex (NTSV) and the Society of Maternal–Fetal Medicine (SMFM) cesarean birth metrics as tools for quality improvement efforts based on hospital size.

Materials and Methods Cesarean birth rates from 275 hospitals from six states were used to evaluate the NTSV metric and 81 hospitals from four states for the SMFM metric. Data were assessed based on delivery volume, their use as an effective tool for ongoing quality improvement programs, and their ability to serve as performance-based payline indicators.

Results The average NTSV and SMFM cesarean birth rates were 25.6 and 13.0%, respectively. The number of deliveries included in the NTSV metric was stable across all hospital sizes (33.1–36.2%). With the SMFM metric, there was a progressive decline in the number of deliveries included, 90.0 versus 69.6%, in relatively small to large facilities. Variability was less and precision increased with the SMFM metric, which reduced the number of hospitals that could be incorrectly categorized when using performance-based predefined cesarean birth rate paylines.

Conclusion The SMFM metric appears to be better suited as a tool for rapid process improvement programs aimed at reducing cesarean birth rates in low-risk patients.
Gait Retraining From Rearfoot Strike to Forefoot Strike does not change Running Economy
Authors: Roper Jenevieve , Doerfler Deborah , Kravitz Len , Dufek Janet , Mermier Christine
Published: November 2017

Gait retraining is a method for management of patellofemoral pain, which is a common ailment among recreational runners. The present study investigated the effects of gait retraining from rearfoot strike to forefoot strike on running economy, heart rate, and respiratory exchange ratio immediately post-retraining and one-month post-retraining in recreational runners with patellofemoral pain. Knee pain was also measured. Sixteen participants (n=16) were randomly placed in the control (n=8) or experimental (n=8) group. A 10-minute treadmill RE test was performed by all subjects. The experimental group performed eight gait retraining running sessions where foot strike pattern was switched from rearfoot strike to forefoot strike, while the control group received no intervention. There were no significant differences for running economy (p=0.26), respiratory exchange ratio (p=0.258), or heart rate (p=0.248) between the groups. Knee pain reported on a visual analog scale was also significantly reduced (p<0.05) as a result of retraining. The present study demonstrates that retraining from rearfoot strike to forefoot strike did not affect running economy up to one-month post-retraining while reducing running-related patellofemoral pain.
Near-infrared and Mid-infrared Spectroscopic Techniques for a Fast and Nondestructive Quality Control of Thymi herba
Authors: Pezzei Cornelia , Schönbichler Stefan , Hussain Shah , Kirchler Christian , Huck-Pezzei Verena , Popp Michael , Krolitzek Justine , Bonn Günther , Huck Christian
Published: November 2017

In this study, novel near-infrared and attenuated total reflectance mid-infrared spectroscopic methods coupled with multivariate data analysis were established enabling the determination of thymol, rosmarinic acid, and the antioxidant capacity of Thymi herba. A new high-performance liquid chromatography method and UV-Vis spectroscopy were applied as reference methods. Partial least squares regressions were carried out as cross and test set validations. To reduce systematic errors, different data pretreatments, such as multiplicative scatter correction, 1st derivative, or 2nd derivative, were applied on the spectra. The performances of the two infrared spectroscopic techniques were evaluated and compared. In general, attenuated total reflectance mid-infrared spectroscopy demonstrated a slightly better predictive power (thymol: coefficient of determination = 0.93, factors = 3, ratio of performance to deviation = 3.94; rosmarinic acid: coefficient of determination = 0.91, factors = 3, ratio of performance to deviation = 3.35, antioxidant capacity: coefficient of determination = 0.87, factors = 2, ratio of performance to deviation = 2.80; test set validation) than near-infrared spectroscopy (thymol: coefficient of determination = 0.90, factors = 6, ratio of performance to deviation = 3.10; rosmarinic acid: coefficient of determination = 0.92, factors = 6, ratio of performance to deviation = 3.61, antioxidant capacity: coefficient of determination = 0.91, factors = 6, ratio of performance to deviation = 3.42; test set validation). The capability of infrared vibrational spectroscopy as a quick and simple analytical tool to replace conventional time and chemical consuming analyses for the quality control of T. herba could be demonstrated.
Antioxidant and Neuroprotective Effects of KM-34, A Novel Synthetic Catechol, Against Oxidative Stress-Induced Neurotoxicity
Authors: Nuñez-Figueredo Yanier , Ramirez-Sanchez Jeney , Issac Yeniceis , Ochoa-Rodriguez Estael , Verdecia-Reyes Yamila , Delgado-Hernandez Rene , Souza Diogo , Andreu Gilberto
Published: November 2017

Free radicals are important mediators in a number of neurodegenerative diseases and molecules capable of scavenging reactive oxygen species (ROS) may be a feasible strategy for protecting neuronal cells. In this sense, polyphenols have been studied for their antioxidant effects, KM-34 (5-(3, 4-dydroxyl-benzylidene)-2, 2-dimethyl-1, 3-dioxane-4, 6-Dione) is a novel synthetic catechol with potential neuroprotective and antioxidant properties. We have assessed the antioxidant (as scavenging and iron-chelating compound) and neuroprotectant in vitro (in PC12 cell injury induced by H2O2, glutamate or FeSO4/AA) of KM-34. KM-34 was found to be a potent antioxidant, as shown by (i) inhibition of iron induced-brain lipid peroxidation, (ii) inhibition of 2-deoxyribose degradation, (iii) inhibition of superoxide radicals generation (IC50=11.04 μM) and (iv) inhibition of 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical reduction (IC50=16.26 μM). The overall anti-oxidant action of KM-34 appears to be a combination of a direct reaction with free radicals and chelating the metal ions responsible for the production of ROS. Our work suggests that the antioxidant properties of KM-34 may provide future therapeutic approaches for neurodegenerative disorders.
Very low-resistance Mo-based Ohmic contacts to GeTe
Authors: Aldosari Haila M. , Cooley Kayla A. , Yu Shih-Ying , Simchi Hamed , Mohney Suzanne E.
Published: November 2017

Low-resistance and thermally stable Ohmic contacts are essential for radio frequency switches based on the unique phase change properties of GeTe. Herein, Mo-based Ohmic contacts to p-type GeTe are reported, including the effect of pre-metallization surface preparation and annealing on Mo/Ti/Pt/Au contacts. In-situ Ar+ plasma treatment resulted in a very low contact resistance of 0.004 ± 0.002 Ω mm (5 ± 3 × 10−9 Ω cm2), which could not be achieved using ex-situ surface treatments, highlighting the need for oxide-free interfaces to obtain very low contact resistance using Mo-based contacts. Experiments aimed at creating a more Ge- or Te-rich interface yielded higher contact resistances in both cases. The contact resistance increased for short-term annealing (30 min) above 200 °C and for long-term annealing (1 week) at 200 °C. No solid-state reaction between Mo and GeTe was observed using transmission electron microscopy with energy dispersive spectroscopy. However, Te migrated from GeTe after annealing at 200 °C for a week, resulting in the formation of platinum telluride within the contact.
NiO films on sapphire as potential antiferromagnetic pinning layers
Authors: Becker M. , Polity A. , Klar P. J.
Published: November 2017

Epitaxial NiO thin films were grown on single crystal substrates of m-plane (101¯0), a-plane (1¯1¯20), c-plane (0001), and r-plane (11¯02) sapphires by ion beam sputtering of a Ni metal target in a mixed argon and oxygen atmosphere. X-ray measurements indicate that the NiO grows epitaxially on all substrates, with its orientation dependent on the cut of the sapphire substrate. The growth mode is the Stranski–Krastanov mode. (110)-oriented NiO grows on m-plane sapphire, while (111)-oriented NiO films are found on both the a-plane and c-plane sapphire. The orientation of NiO found on r-plane sapphire is found to be surface and temperature dependent but is mainly given by (110)-oriented grains. Thus, thin NiO films on c-plane and a-plane substrates are best suited to serve as antiferromagnetic pinning layers in magneto-electronic devices.
In-field X-ray and neutron diffraction studies of re-entrant charge-ordering and field induced metastability in La0.175Pr0.45Ca0.375MnO3-δ
Authors: Sharma Shivani , Shahee Aga , Yadav Poonam , da Silva Ivan , Lalla N. P.
Published: November 2017

Low-temperature high-magnetic field (2 K, 8 T) (LTHM) powder X-ray diffraction (XRD) and time of flight powder neutron diffraction (NPD), low-temperature transmission electron microscopic (TEM), and resistivity and magnetization measurements have been carried out to investigate the re-entrant charge ordering (CO), field induced structural phase transitions, and metastability in phase-separated La0.175Pr0.45Ca0.375MnO3-δ (LPCMO). Low-temperature TEM and XRD studies reveal that on cooling under zero-field, paramagnetic Pnma phase transforms to P21/m CO antiferromagnetic (AFM) insulating phase below ∼233 K. Unlike reported literature, no structural signature of CO AFM P21/m to ferromagnetic (FM) Pnma phase-transition during cooling down to 2 K under zero-field was observed. However, the CO phase was found to undergo a re-entrant transition at ∼40 K. Neutron diffraction studies revealed a pseudo CE type spin arrangement of the observed CO phase. The low-temperature resistance, while cooled under zero-field, shows insulator to metal like transition below ∼105 K with minima at ∼25 K. On application of field, the CO P21/m phase was found to undergo field-induced transition to FM Pnma phase, which shows irreversibility on field removal below ∼40 K. Zero-field warming XRD and NPD studies reveal that field-induced FM Pnma phase is a metastable phase, which arise due to the arrest of kinetics of the first-order phase transition of FM Pnma to CO-AFM P21/m phase, below 40 K. Thus, a strong magneto-structural coupling is observed for this system. A field-temperature (H-T) phase-diagram has been constructed based on the LTHM-XRD, which matches very nicely with the reported H-T phase-diagram constructed based on magnetic measurements. Due to the occurrence of gradual growth of the re-entrant CO phase and the absence of a clear structural signature of phase-separation of CO-AFM P21/m and FM Pnma phases, the H-T minima in the phase-diagram of the present LPCMO sample has been attributed to the strengthening of AFM interaction during re-entrant CO transition and not to glass like “dynamic to frozen” transition.
Sb-related defects in Sb-doped ZnO thin film grown by pulsed laser deposition
Authors: Luo Caiqin , Ho Lok-Ping , Azad Fahad , Anwand Wolfgang , Butterling Maik , Wagner Andreas , Kuznetsov Andrej , Zhu Hai , Su Shichen , Ling Francis Chi-Chung
Published: November 2017

Sb-doped ZnO films were fabricated on c-plane sapphire using the pulsed laser deposition method and characterized by Hall effect measurement, X-ray photoelectron spectroscopy, X-ray diffraction, photoluminescence, and positron annihilation spectroscopy. Systematic studies on the growth conditions with different Sb composition, oxygen pressure, and post-growth annealing were conducted. If the Sb doping concentration is lower than the threshold ∼8 × 1020 cm−3, the as-grown films grown with an appropriate oxygen pressure could be n∼4 × 1020 cm−3. The shallow donor was attributed to the SbZn related defect. Annealing these samples led to the formation of the SbZn-2VZn shallow acceptor which subsequently compensated for the free carrier. For samples with Sb concentration exceeding the threshold, the yielded as-grown samples were highly resistive. X-ray diffraction results showed that the Sb dopant occupied the O site rather than the Zn site as the Sb doping exceeded the threshold, whereas the SbO related deep acceptor was responsible for the high resistivity of the samples.
Process optimization of graphene growth in a roll-to-roll plasma CVD system
Authors: Alrefae Majed A. , Kumar Anurag , Pandita Piyush , Candadai Aaditya , Bilionis Ilias , Fisher Timothy S.
Published: November 2017

A systematic approach to mass-production of graphene and other 2D materials is essential for current and future technological applications. By combining a sequential statistical design of experiments with in-situ process monitoring, we demonstrate a method to optimize graphene growth on copper foil in a roll-to-roll rf plasma chemical vapor deposition system. Data-driven predictive models show that gas pressure, nitrogen, oxygen, and plasma power are the main process parameters affecting the quality of graphene. Furthermore, results from in-situ optical emission spectroscopy reveal a positive correlation of CH radical to high quality of graphene, whereas O and H atoms, Ar+ ion, and C2 and CN radicals negatively correlate to quality. This work demonstrates the deposition of graphene on copper foil at 1 m/min, a scale suitable for large-scale production. The techniques described here can be extended to other 2D materials and roll-to-roll manufacturing processes.
48-spot single-molecule FRET setup with periodic acceptor excitation
Authors: Ingargiola Antonino , Segal Maya , Gulinatti Angelo , Rech Ivan , Labanca Ivan , Maccagnani Piera , Ghioni Massimo , Weiss Shimon , Michalet Xavier
Published: November 2017

Single-molecule Förster resonance energy transfer (smFRET) allows measuring distances between donor and acceptor fluorophores on the 3–10 nm range. Solution-based smFRET allows measurement of binding-unbinding events or conformational changes of dye-labeled biomolecules without ensemble averaging and free from surface perturbations. When employing dual (or multi) laser excitation, smFRET allows resolving the number of fluorescent labels on each molecule, greatly enhancing the ability to study heterogeneous samples. A major drawback to solution-based smFRET is the low throughput, which renders repetitive measurements expensive and hinders the ability to study kinetic phenomena in real-time. Here we demonstrate a high-throughput smFRET system that multiplexes acquisition by using 48 excitation spots and two 48-pixel single-photon avalanche diode array detectors. The system employs two excitation lasers allowing separation of species with one or two active fluorophores. The performance of the system is demonstrated on a set of doubly labeled double-stranded DNA oligonucleotides with different distances between donor and acceptor dyes along the DNA duplex. We show that the acquisition time for accurate subpopulation identification is reduced from several minutes to seconds, opening the way to high-throughput screening applications and real-time kinetics studies of enzymatic reactions such as DNA transcription by bacterial RNA polymerase.
MnNiO3 revisited with modern theoretical and experimental methods
Authors: Dzubak Allison L. , Mitra Chandrima , Chance Michael , Kuhn Stephen , Jellison Gerald E. , Sefat Athena S. , Krogel Jaron T. , Reboredo Fernando A.
Published: November 2017

MnNiO3 is a strongly correlated transition metal oxide that has recently been investigated theoretically for its potential application as an oxygen-evolution photocatalyst. However, there is no experimental report on critical quantities such as the band gap or bulk modulus. Recent theoretical predictions with standard functionals such as LDA+U and HSE show large discrepancies in the band gaps (about 1.23 eV), depending on the nature of the functional used. Hence there is clearly a need for an accurate quantitative prediction of the band gap to gauge its utility as a photocatalyst. In this work, we present a diffusion quantum Monte Carlo study of the bulk properties of MnNiO3 and revisit the synthesis and experimental properties of the compound. We predict quasiparticle band gaps of 2.0(5) eV and 3.8(6) eV for the majority and minority spin channels, respectively, and an equilibrium volume of 92.8 Å3, which compares well to the experimental value of 94.4 Å3. A bulk modulus of 217 GPa is predicted for MnNiO3. We rationalize the difficulty for the formation of ordered ilmenite-type structure with specific sites for Ni and Mn to be potentially due to the formation of antisite defects that form during synthesis, which ultimately affects the physical properties of MnNiO3.
Multilevel storage device based on domain-wall motion in a magnetic tunnel junction
Authors: Cai Jialin , Fang Bin , Wang Chao , Zeng Zhongming
Published: November 2017

We report on a multilevel storage device based on a magnetic tunnel junction (MTJ). Six different resistance states have been observed by controlling domain wall motion in the free layer of a MTJ. It is realized by pinning the domain wall at different positions in the free layer with a special geometric structure. The resistance states can be modulated with the application of an external magnetic field or a d.c. The experimental results are well explained by micromagnetic simulation. The results suggest that our design is expected to have applications in magnetic memory and neuromorphic systems.
Spin pumping and probe in permalloy dots-topological insulator bilayers
Authors: Han H. C. , Chen Y. S. , Davydova M. D. , Petrov P. N. , Skirdkov P. N. , Lin J. G. , Wu J. C. , Huang J. C. A. , Zvezdin K. A. , Zvezdin A. K.
Published: November 2017

We present a ferromagnetic resonance (FMR) spin pumping experiment at room temperature in periodic arrays of permalloy nanodots of different radii deposited onto a 3D topological insulator Bi2Se3 film. We measure the dc voltage signal generated by spin-to-charge conversion of the pumped spin current due to the spin-orbit coupling in the bulk of Bi2Se3. In the nanostructured samples, two resonance peaks are observed, associated with Kittel and inhomogeneous edge modes, respectively. This more complex modal composition in comparison to continuous systems may provide additional advantages for development of prospective spintronic devices. We support our experimental results by theoretical calculations, which are based on micromagnetic modeling of the magnetization dynamics under FMR excitation in a nanodot. A numerical approach to the calculation of the spin-pumping voltage is proposed, and the efficiency of spin-to-charge conversion is estimated for two nanostructured samples with different dot sizes.
Spin-orbit torques and Dzyaloshinskii-Moriya interaction in PtMn/[Co/Ni] heterostructures
Authors: DuttaGupta S. , Kanemura T. , Zhang C. , Kurenkov A. , Fukami S. , Ohno H.
Published: November 2017

Antiferromagnet (AFM)/ferromagnet (FM) heterostructures with broken inversion symmetry are perceived to open new opportunities for nonvolatile spintronic devices. Previous studies of such systems have demonstrated an emergence of spin-orbit torques (SOTs) in the heterostructures which are strong enough to bring about magnetization reversal. The impact of broken inversion symmetry and spin-orbit coupling also leads to an emergence of the Dzyaloshinskii-Moriya interaction (DMI) which governs the magnetic configuration and magnetization reversal. In this work, we study the SOT-induced effective fields and DMI in a heterostructure with an antiferromagnetic PtMn layer and a ferromagnetic [Co/Ni] multilayer and compare the results with a reference Pt/[Co/Ni] system. Magnetotransport measurements reveal the same sign and similar magnitude of SOT-induced effective fields for the two systems while current-induced domain wall motion measurements under in-plane fields reveal the opposite sign and smaller magnitude of DMI at the PtMn/[Co/Ni] interface compared to the Pt/[Co/Ni]. The obtained results offer in-depth information concerning the manifestations of spin-orbit interactions in AFM/FM systems, which is key to understanding of static magnetic configuration and magnetization reversal for their possible applications in antiferromagnetic spintronics.
Effects of second-order wave forces and aerodynamic forces on dynamic responses of a TLP-type floating offshore wind turbine considering the set-down motion
Authors: Li Yan , Tang Yougang , Zhu Qiang , Qu Xiaoqi , Wang Bin , Zhang Ruoyu
Published: November 2017

A coupled 6 degree of freedom (DOF) aero-hydro-restoring model is developed to study the dynamics of a tension leg platform (TLP)-type offshore wind turbine. This model includes second-order wave loads, pitch control strategies, and effects of platform motion on aerodynamic performance. The second-order wave force is calculated using the full-field quadratic transfer function. The coupled effects of the horizontal motions (such as surge, sway, and yaw motions) and the set-down motion are taken into consideration through the nonlinear restoring matrix. Different load scenarios are chosen to simulate the platform's dynamic response and the rotor's aerodynamic performance in the time domain. The analysis shows that second-order wave forces will induce slow-drift and springing resonances. Due to the large motion in surge, a significant set-down motion which is an important part of heave motion is induced by the second-order difference-frequency force. When different wind types are chosen, the aerodynamic damping effect is found in the slow-drift motion in surge and the springing motion in pitch. On the other hand, low-frequency set-down motion is excited and the heave response is amplified by the wind. Compared to the steady wind, the effect of aerodynamic damping is reduced under the turbulent wind. Slow-drift frequency, wave frequency, and springing frequency are all observed in the aerodynamic results.
Delay dynamics of neuromorphic optoelectronic nanoscale resonators: Perspectives and applications
Authors: Romeira Bruno , Figueiredo José M. L. , Javaloyes Julien
Published: November 2017

With the recent exponential growth of applications using artificial intelligence (AI), the development of efficient and ultrafast brain-like (neuromorphic) systems is crucial for future information and communication technologies. While the implementation of AI systems using computer algorithms of neural networks is emerging rapidly, scientists are just taking the very first steps in the development of the hardware elements of an artificial brain, specifically neuromorphic microchips. In this review article, we present the current state of the art of neuromorphic photonic circuits based on solid-state optoelectronic oscillators formed by nanoscale double barrier quantum well resonant tunneling diodes. We address, both experimentally and theoretically, the key dynamic properties of recently developed artificial solid-state neuron microchips with delayed perturbations and describe their role in the study of neural activity and regenerative memory. This review covers our recent research work on excitable and delay dynamic characteristics of both single and autaptic (delayed) artificial neurons including all-or-none response, spike-based data encoding, storage, signal regeneration and signal healing. Furthermore, the neural responses of these neuromorphic microchips display all the signatures of extended spatio-temporal localized structures (LSs) of light, which are reviewed here in detail. By taking advantage of the dissipative nature of LSs, we demonstrate potential applications in optical data reconfiguration and clock and timing at high-speeds and with short transients. The results reviewed in this article are a key enabler for the development of high-performance optoelectronic devices in future high-speed brain-inspired optical memories and neuromorphic computing.
Note: Retrofitting an analog spectrometer for high resolving power in NUV–NIR
Authors: Taylor Andrew S. , Batishchev Oleg V.
Published: November 2017

We demonstrate how an older spectrometer designed for photographic films can be efficiently retrofitted with a narrow laser-cut slit and a modern μm-pixel-size imaging CMOS camera, yielding sub-pm resolution in the broad near ultraviolet to near infrared (NUV-NIR) spectral range. Resolving power approaching 106 is achieved. Such digital retrofitting of an analog instrument is practical for research and teaching laboratories.