bluuebunny/crossref_metadata_2025 huggingface dataset:
A Novel Visceral Adiposity Index for Prediction of Type 2 Diabetes and Pre-diabetes in Chinese adults: A 5-year prospective study
Authors: Wu Jinshan , Gong Lilin , Li Qifu , Hu Jinbo , Zhang Shuping , Wang Yue , Zhou Huang , Yang Shuming , Wang Zhihong
Published: October 2017

The Chinese visceral adiposity index (CVAI) is a recently developed indicator of visceral adiposity. We investigated the predictive value of the CVAI for the development of dysglycemia (pre-diabetes and type 2 diabetes) and compared its predictive power with that of the Visceral adiposity index (VAI) and various anthropometric indices. This community-based study included 2,383 participants. We assessed the predictive power of adiposity indices by performing univariate and multivariate binary logistic regression analysis and calculating the area under the receiver-operating characteristic (ROC) curve according to their quartiles. Logistic regression analysis showed that individuals in higher CVAI quartiles at baseline were more likely to develop dysglycemia than those in lower CVAI quartiles. The area under the ROC curve for CVAI was significantly higher than that of other adiposity indices. In addition, among the various adiposity indices tested, the CVAI had the greatest Youden index for identifying dysglycemia in both genders. Our data demonstrate that the CVAI is a better predictor of type 2 diabetes and pre-diabetes than the VAI, BMI, waist circumference, waist-to-hip ratio and waist-to-height ratio in Chinese adults.
Photonics-based real-time ultra-high-range-resolution radar with broadband signal generation and processing
Authors: Zhang Fangzheng , Guo Qingshui , Pan Shilong
Published: October 2017

Real-time and high-resolution target detection is highly desirable in modern radar applications. Electronic techniques have encountered grave difficulties in the development of such radars, which strictly rely on a large instantaneous bandwidth. In this article, a photonics-based real-time high-range-resolution radar is proposed with optical generation and processing of broadband linear frequency modulation (LFM) signals. A broadband LFM signal is generated in the transmitter by photonic frequency quadrupling, and the received echo is de-chirped to a low frequency signal by photonic frequency mixing. The system can operate at a high frequency and a large bandwidth while enabling real-time processing by low-speed analog-to-digital conversion and digital signal processing. A conceptual radar is established. Real-time processing of an 8-GHz LFM signal is achieved with a sampling rate of 500 MSa/s. Accurate distance measurement is implemented with a maximum error of 4 mm within a range of ~3.5 meters. Detection of two targets is demonstrated with a range-resolution as high as 1.875 cm. We believe the proposed radar architecture is a reliable solution to overcome the limitations of current radar on operation bandwidth and processing speed, and it is hopefully to be used in future radars for real-time and high-resolution target detection and imaging.
Resting site use of giant pandas in Wanglang Nature Reserve
Authors: Kang Dongwei , Wang Xiaorong , Li Junqing
Published: October 2017

Little is known about the resting sites used by the giant panda (Ailuropoda melanoleuca), which restricts our understanding of their resting habits and limits conservation efforts. To enhance our understanding of resting site requirements and factors affecting the resting time of giant pandas, we investigated the characteristics of resting sites in the Wanglang Nature Reserve, Sichuan Province, China. The results indicated that the resting sites of giant pandas were characterised by a mean slope of 21°, mean nearest tree size of 53.75 cm, mean nearest shrub size of 2.82 cm, and mean nearest bamboo number of 56. We found that the resting sites were closer to bamboo than to trees and shrubs, suggesting that the resting site use of giant pandas is closely related to the presence of bamboo. Considering that giant pandas typically rest near a large-sized tree, protection of large trees in the forests is of considerable importance for the conservation of this species. Furthermore, slope was found to be an important factor affecting the resting time of giant pandas, as they tended to rest for a relatively longer time in sites with a smaller degree of slope.
Optically induced metastability in Cu(In,Ga)Se2
Authors: Jensen S. A. , Kanevce A. , Mansfield L. M. , Glynn S. , Lany S. , Kuciauskas D.
Published: October 2017

Cu(In,Ga)Se2 (CIGS) is presently the most efficient thin-film photovoltaic technology with efficiencies exceeding 22%. An important factor impacting the efficiency is metastability, where material changes occur over timescales of up to weeks during light exposure. A previously proposed (V
Se
-V
Cu
) divacancy model presents a widely accepted explanation. We present experimental evidence for the optically induced metastability transition and expand the divacancy model with first-principles calculations. Using photoluminescence excitation spectroscopy, we identify a sub-bandgap optical transition that severely deteriorates the carrier lifetime. This is in accordance with the expanded divacancy model, which predicts that states below the conduction band are responsible for the metastability change. We determine the density–capture cross-section product of the induced lifetime-limiting states and evaluate their impact on device performance. The experimental and theoretical findings presented can allow assessment of metastability characteristics of leading thin-film photovoltaic technologies.
IFN-γ and TNF-α synergism may provide a link between psoriasis and inflammatory atherogenesis
Authors: Mehta Nehal N. , Teague Heather L. , Swindell William R. , Baumer Yvonne , Ward Nicole L. , Xing Xianying , Baugous Brooke , Johnston Andrew , Joshi Aditya A. , Silverman Joanna , Barnes Drew H. , Wolterink Liza , Nair Rajan P. , Stuart Philip E. , Playford Martin , Voorhees John J. , Sarkar Mrinal K. , Elder James T. , Gallagher Katherine , Ganesh Santhi K. , Gudjonsson Johann E.
Published: October 2017

Chronic inflammation is a critical component of atherogenesis, however, reliable human translational models aimed at characterizing these mechanisms are lacking. Psoriasis, a chronic inflammatory skin disease associated with increased susceptibility to atherosclerosis, provides a clinical human model that can be utilized to investigate the links between chronic inflammation and atherosclerosis development. We sought to investigate key biological processes in psoriasis skin and human vascular tissue to identify biological components that may promote atherosclerosis in chronic inflammatory conditions. Using a bioinformatics approach of human skin and vascular tissue, we determined IFN-γ and TNF-α are the dominant pro-inflammatory signals linking atherosclerosis and psoriasis. We then stimulated primary aortic endothelial cells and ex-vivo atherosclerotic tissue with IFN-γ and TNF-α and found they synergistically increased monocyte and T-cell chemoattractants, expression of adhesion molecules on the endothelial cell surface, and decreased endothelial barrier integrity in vitro, therefore increasing permeability. Our data provide strong evidence of synergism between IFN-γ and TNF- α in inflammatory atherogenesis and provide rationale for dual cytokine antagonism in future studies.
Myoelectric Pattern Recognition Outperforms Direct Control for Transhumeral Amputees with Targeted Muscle Reinnervation: A Randomized Clinical Trial
Authors: Hargrove Levi J. , Miller Laura A. , Turner Kristi , Kuiken Todd A.
Published: October 2017

Recently commercialized powered prosthetic arm systems hold great potential in restoring function for people with upper-limb loss. However, effective use of such devices remains limited by conventional (direct) control methods, which rely on electromyographic signals produced from a limited set of muscles. Targeted Muscle Reinnervation (TMR) is a nerve transfer procedure that creates additional recording sites for myoelectric prosthesis control. The effects of TMR may be enhanced when paired with pattern recognition technology. We sought to compare pattern recognition and direct control in eight transhumeral amputees who had TMR in a balanced randomized cross-over study. Subjects performed a 6–8 week home trial using direct and pattern recognition control with a custom prostheses made from commercially available parts. Subjects showed statistically better performance in the Southampton Hand Assessment Procedure (p = 0.04) and the Clothespin relocation task (p = 0.02). Notably, these tests required movements along 3 degrees of freedom. Seven of 8 subjects preferred pattern recognition control over direct control. This study was the first home trial large enough to establish clinical and statistical significance in comparing pattern recognition with direct control. Results demonstrate that pattern recognition is a viable option and has functional advantages over direct control.
Gut bacterial communities of diarrheic patients with indications of Clostridioides difficile infection
Authors: Schneider Dominik , Thürmer Andrea , Gollnow Kathleen , Lugert Raimond , Gunka Katrin , Groß Uwe , Daniel Rolf
Published: October 2017

We present bacterial 16S rRNA gene datasets derived from stool samples of 44 patients with diarrhea indicative of a Clostridioides difficile infection. For 20 of these patients, C. difficile infection was confirmed by clinical evidence. Stool samples from patients originating from Germany, Ghana, and Indonesia were taken and subjected to DNA isolation. DNA isolations of stool samples from 35 asymptomatic control individuals were performed. The bacterial community structure was assessed by 16S rRNA gene analysis (V3-V4 region). Metadata from patients and control individuals include gender, age, country, presence of diarrhea, concomitant diseases, and results of microbiological tests to diagnose C. difficile presence. We provide initial data analysis and a dataset overview. After processing of paired-end sequencing data, reads were merged, quality-filtered, primer sequences removed, reads truncated to 400 bp and dereplicated. Singletons were removed and sequences were sorted by cluster size, clustered at 97% sequence similarity and chimeric sequences were discarded. Taxonomy to each operational taxonomic unit was assigned by BLASTn searches against Silva database 123.1 and a table was constructed.
Quantifying person-level brain network functioning to facilitate clinical translation
Authors: Ball T M , Goldstein-Piekarski A N , Gatt J M , Williams L M
Published: October 2017

Although advances in neuroimaging have yielded insights into the intrinsic organization of human brain networks and their relevance to psychiatric and neurological disorders, there has been no translation of these insights into clinical practice. One necessary step toward clinical translation is identifying a summary metric of network function that is reproducible, reliable, and has known normative data, analogous to normed neuropsychological tests. Our aim was therefore to establish the proof of principle for such a metric, focusing on the default mode network (DMN). We compared three candidate summary metrics: global clustering coefficient, characteristic path length, and average connectivity. Across three samples totaling 322 healthy, mostly Caucasian adults, average connectivity performed best, with good internal consistency (Cronbach’s α=0.69–0.70) and adequate eight-week test–retest reliability (intra-class coefficient=0.62 in a subsample N=65). We therefore present normative data for average connectivity of the DMN and its sub-networks. These proof of principle results are an important first step for the translation of neuroimaging to clinical practice. Ultimately, a normed summary metric will allow a single patient’s DMN function to be quantified and interpreted relative to normative peers.
Quantitative characterisation of conductive fibers by capacitive coupling
Authors: Ruland Andres , Jalili Rouhollah , Mozer Attila J. , Wallace Gordon G.
Published: October 2017

The application of a capacitively coupled contactless conductivity sensor for the quantitative characterization of conductive fibers.
Plasmonic nanocone arrays for rapid and detailed cell lysate surface enhanced Raman spectroscopy analysis
Authors: Hackett L. P. , Goddard L. L. , Liu G. L.
Published: October 2017

A plasmonic nanocone SERS substrate with a uniform enhancement factor is developed and applied for cell lysate studies.
Magnetic sulfur-doped porous carbon for preconcentration of trace mercury in environmental water prior to ICP-MS detection
Authors: Peng Chuyu , He Man , Chen Beibei , Huang Lijin , Hu Bin
Published: October 2017

A novel magnetic sulfur-doped porous carbon (MSPC) was fabricated via a simple one-step carbonization of a mixture of sucrose, basic magnesium sulfate whiskers and Fe3O4@SiO2 nanoparticles.
Direct solid sampling determination of lead in cheese varieties by high resolution continuum source graphite furnace atomic absorption spectrometry
Authors: Tinas Hande , Ozbek Nil , Akman Suleyman
Published: October 2017

Lead concentrations in cheese varieties were determined against aqueous standards using high-resolution continuum source graphite furnace atomic absorption spectrometry with direct solid sampling.
Silsesquioxane cages as fluoride sensors
Authors: Chanmungkalakul Supphachok , Ervithayasuporn Vuthichai , Hanprasit Sasikarn , Masik Manlika , Prigyai Nicha , Kiatkamjornwong Suda
Published: October 2017

Pyrene functionalized silsesquioxane cages (PySQ) in DMSO exhibit fluoride capture results coincidentally with a π–π* fluorescence enhancement.
d-Serine enzymatic metabolism induced formation of a powder-remoldable PAAM–CS hydrogel
Authors: Zhang Shuang , Wei Qingcong , Shang Yinghui , Zhang Qi , Wang Qigang
Published: October 2017

The metabolism of d-serine by d-amino acid oxidase was developed to induce radical polymerization and formation of a powder-remoldable PAAM–CS hydrogel.
Rational control of the interlayer space inside two-dimensional titanium carbides for highly efficient uranium removal and imprisonment
Authors: Wang Lin , Tao Wuqing , Yuan Liyong , Liu Zhirong , Huang Qing , Chai Zhifang , Gibson John K. , Shi Weiqun
Published: October 2017

Rational control of the interlayer space of multilayered Ti3C2Txenables the MXene to exhibit an excellent U(vi) sorption capacity and an exceptional radionuclide encapsulation performance.
Catalyst free annulative thioboration of unfunctionalized olefins
Authors: Yang Zhantao , Yang Chun-Hua , Chen Shiqi , Chen Xixi , Zhang Litian , Ren Huijun
Published: October 2017

A direct and catalyst-free annulative thioboration of unfunctionalized olefins has been developed.
Silver-induced self-immolative Cl–F exchange fluorination of arylsulfur chlorotetrafluorides: synthesis of arylsulfur pentafluorides
Authors: Cui Benqiang , Jia Shichong , Tokunaga Etsuko , Saito Norimichi , Shibata Norio
Published: October 2017

Cl–F exchange fluorination of (Het)ArSF4Cl without fluorinating reagents is disclosed.
Quantum chemical investigation on the Ir(iii) complexes with an isomeric triazine-based imidazolium carbene ligand for efficient blue OLEDs
Authors: Urinda Sharmistha , Das Goutam , Pramanik Anup , Sarkar Pranab
Published: October 2017

Ir(iii) complexes of isomeric triazine-based imidazolium carbene with phenylpyridine or bipyridine as an ancillary ligand show blue phosphorescence with high quantum efficiency.
Scaling relations for the interactions between curved graphene sheets in water
Authors: Kumar Sonal , Rama Prasad , Panwar Ajay Singh
Published: October 2017

The scaling of interaction energy between curved graphene sheets in water with sheet radius and separation was calculated by molecular dynamics simulations.
Photodissociation dynamics of fulvenallene and the fulvenallenyl radical at 248 and 193 nm
Authors: Ramphal Isaac A. , Shapero Mark , Haibach-Morris Courtney , Neumark Daniel M.
Published: October 2017

Photofragment translational spectroscopy was used to study the photodissociation of fulvenallene, C7H6, and the fulvenallenyl radical, C7H5. Fulvenallene only loses H atoms to form fulvenallenyl. Fulvenallenyl exhibits both C2H2-loss and C3H3-loss pathways.
The effect of cation mixing controlled by thermal treatment duration on the electrochemical stability of lithium transition-metal oxides
Authors: Sun Gang , Yin Xucai , Yang Wu , Song Ailing , Jia Chenxiao , Yang Wang , Du Qinghua , Ma Zhipeng , Shao Guangjie
Published: October 2017

An optimal degree of Ni2+occupancy in the lithium layer as “pillaring” that enhances the electrochemical performance of NMC materials.
Behaviour of DFT-based approaches to the spin–orbit term of zero-field splitting tensors: a case study of metallocomplexes, MIII(acac)3 (M = V, Cr, Mn, Fe and Mo)
Authors: Sugisaki Kenji , Toyota Kazuo , Sato Kazunobu , Shiomi Daisuke , Takui Takeji
Published: October 2017

Zero-field splitting tensors of MIII(acac)3 complexes are calculated using ab initio and DFT methods.
Associative detachment (AD) paths for H and CN− in the gas-phase: astrophysical implications
Authors: Jerosimić Stanka V. , Gianturco Franco A. , Wester Roland
Published: October 2017

The associative detachment reaction between H and CN− at low temperature becomes possible only along a selected range of approaching directions, thus showing that there is a preferential possibility at low temperatures of forming HCN in comparison with forming CNH.
Influence of the nature of the anchoring group on electron injection processes at dye–titania interfaces
Authors: Arbouch Imane , Cornil David , Karzazi Yasser , Hammouti Belkheir , Lazzaroni Roberto , Cornil Jérôme
Published: October 2017

DFT calculations show deep changes in the electronic and optical properties of oligothiophene dyes when grafted on a titania surface via carboxylic acid or catechol moiety as anchoring group.
Solvatochromic dye LDS 798 as microviscosity and pH probe
Authors: Doan Hung , Castillo Marlius , Bejjani Micheline , Nurekeyev Zhangatay , Dzyuba Sergei V. , Gryczynski Ignacy , Gryczynski Zygmunt , Raut Sangram
Published: October 2017

LDS 798; a known solvatochromic probe is responsive to micro-viscosity and pH changes. Spectral changes can be used to probe polarity while lifetime/intensity change can probe micro-viscosity.
Adsorption and dissociation of O2on MoO2(1̄11) surfaces: a DFT study
Authors: Zhang Quan , Zhang Minhua , Wiltowski Tomasz
Published: October 2017

The adsorption and dissociation of O2on MoO2(1̄11) surfaces were studied by density functional theory (DFT).
Ruthenium-catalysed σ-activation for remote meta-selective C–H functionalisation
Authors: Leitch Jamie A. , Frost Christopher G.
Published: October 2017

Ruthenium-catalysed σ-activation has become a major asset in accessing remote meta-C–H-functionalisation of a variety of arenes.
Micro free flow electrophoresis
Authors: Johnson Alexander C. , Bowser Michael T.
Published: October 2017

This review focuses on the fabrication methods, theory, and applications of micro free flow electrophoresis (μFFE), a continuous separation technique particularly well suited for microscale purifications and online monitoring applications.
Computational transport analysis of antibody-drug conjugate bystander effects and payload tumoral distribution: implications for therapy
Authors: Khera Eshita , Cilliers Cornelius , Bhatnagar Sumit , Thurber Greg M.
Published: October 2017

A computational model predicting bystander payload distribution as a function of controllable design parameters for guiding efficient clinical ADC development.
A colorimetric biosensor based on guanidinium recognition for the assay of protein tyrosine phosphatase 1B and its inhibitors
Authors: Lv Jun , Chen Tingjun , Yue Xiquan , Zhou Jianqiong , Gong Xiuqing , Zhang Juan
Published: October 2017

A new colorimetric biosensor for the assay of PTP1B and its inhibitors based on coordination between RGC/AuNPs and MNPs/APP.
Nanoscale, conformal films of graphitic carbon nitride deposited at room temperature: a method for construction of heterojunction devices
Authors: Ladva Satyam A. , Travis William , Quesada-Cabrera Raul , Rosillo-Lopez Martin , Afandi Abdulkareem , Li Yaomin , Jackman Richard B. , Bear Joseph C. , Parkin Ivan P. , Blackman Christopher , Salzmann Christoph G. , Palgrave Robert G.
Published: October 2017

Graphitic carbon nitride was deposited as a conformal thin film on substrates at room temperature.
Iron(iii)-catalyzed chelation assisted remote C–H bond oxygenation of 8-amidoquinolines
Authors: Vinayak Botla , NavyaSree Pilli , Chandrasekharam Malapaka
Published: October 2017

We have developed a simple, efficient oxygenation of C–H bonds that are geometrically inaccessible in 8-amidoquinolines with inexpensive and nontoxic iron(iii) catalyst. The chelation assisted remote benzoxylation protocol tolerates a wide substrate scope and is operationally simple.
Substituent effects on stereoselectivity of dihalocarbene reactions with cyclohexadiene and on the reactivity of bis-dihalocyclopropanes in electrophilic nitrations en route to pyrimidine N-oxides
Authors: Sedenkova Kseniya N. , Averina Elena B. , Grishin Yuri K. , Kolodyazhnaya Julia V. , Rybakov Victor B. , Kuznetsova Tamara S. , Hughes Audrey , Gomes Gabriel dos Passos , Alabugin Igor V. , Zefirov Nikolay S.
Published: October 2017

Bis-adducts of cyclohexa-1,4-diene with dihalocarbenes were synthesized and investigated in heterocyclization.
All-acrylic superelastomers: facile synthesis and exceptional mechanical behavior
Authors: Lu Wei , Goodwin Andrew , Wang Yangyang , Yin Panchao , Wang Weiyu , Zhu Jiahua , Wu Ting , Lu Xinyi , Hu Bin , Hong Kunlun , Kang Nam-Goo , Mays Jimmy
Published: October 2017

All-acrylic multigraft copolymers made by a facile synthesis procedure exhibit elongation at break >1700% and strain recovery behavior far exceeding those of commercial acrylic and styrenic triblock copolymers.
Synthesis of MoS2(1−x)Se2x and WS2(1−x)Se2x alloys for enhanced hydrogen evolution reaction performance
Authors: Hussain Sajjad , Akbar Kamran , Vikraman Dhanasekaran , Karuppasamy K. , Kim Hyun-Seok , Chun Seung-Hyun , Jung Jongwan
Published: October 2017

An excellent HER catalytic activity confirmed with overpotentials of 141 mV (MoS2(1−x)Se2x) and 167 mV (WS2(1−x)Se2x) at 10 mA·cm−2.
Total synthesis of strictamine: a tutorial for novel and efficient synthesis
Authors: Wang Chao , Zhang Shiju , Wang Yan , Huang Sha-Hua , Hong Ran
Published: October 2017

The novelty and efficiency of the overall synthetic route are the key values being imparted to the younger generation of synthetic chemists. In this Highlights, synthesis of strictamine was tutored to students on the creativity of synthetic design.
Artificial neural network analysis of the catalytic efficiency of platinum nanoparticles
Authors: Fernandez Michael , Barron Hector , Barnard Amanda S.
Published: October 2017

Accurate predictions of nanocatalyst structure/property relations can be made with large theoretical data sets, rather than limited sets of computational structures, in a fraction of the time using machine learning.
Towards the development of multifunctional hybrid fibrillary gels: production and optimization by colloidal electrospinning
Authors: Faria Jaime , Echeverria Coro , Borges João P. , Godinho Maria H. , Soares Paula I. P.
Published: October 2017

The incorporation of thermosensitive microgels that can act as active sites into polymeric fibers through colloidal electrospinning originates multifunctional, highly porous, and biocompatible membranes suitable for biomedical applications.
Activity and stability analysis of covalent conjugated lysozyme-single walled carbon nanotubes: potential biomedical and industrial applications
Authors: Borzooeian Z. , Taslim M. E. , Borzooeian G. , Ghasemi O. , Aminlari M.
Published: October 2017

Analysis of covalent conjugated lysozyme-single walled carbon nanotubes.
Investigation on the interaction of antibacterial drug moxifloxacin hydrochloride with human serum albumin using multi-spectroscopic approaches, molecular docking and dynamical simulation
Authors: Xiong Xinnuo , He Jiawei , Yang Hongqin , Tang Peixiao , Tang Bin , Sun Qiaomei , Li Hui
Published: October 2017

Investigating the interactions of moxifloxacin hydrochloride with human serum albuminviamulti-spectroscopic approaches, molecular docking and dynamical simulation.
Fluorescence properties of heterotrinuclear Zn(ii)–M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes
Authors: Wang Li , Li Xiao-Yan , Zhao Qing , Li Li-Hong , Dong Wen-Kui
Published: October 2017

Three Zn(ii)–M(ii) (M = Ca, Sr and Ba) complexes have been synthesized and characterized structurally. Ion competitive experiments show that the coordinating capability in the central O6 site is in the order of Ca(ii) > Sr(ii) > Ba(ii).
Flexible silver-mesh electrodes with moth-eye nanostructures for transmittance enhancement by double-sided roll-to-roll nanoimprint lithography
Authors: Yi Peiyun , Zhang Chengpeng , Peng Linfa , Lai Xinmin
Published: October 2017

A double-sided R2R NIL system is established and the novel Ag-mesh electrodes with moth-eye nanostructures have been fabricated. An increase of 4.5% in transmittance has been achieved while remaining the sheet resistance at 22.8 ± 1.3 Ω sq−1.
Synthesis of a 12-membered cyclic siloxane possessing alkoxysilyl groups as a nanobuilding block and its use for preparation of gas permeable membranes
Authors: Yoshikawa Masashi , Shiba Hiroya , Kanezashi Masakoto , Wada Hiroaki , Shimojima Atsushi , Tsuru Toshinori , Kuroda Kazuyuki
Published: October 2017

A twelve-membered cyclic siloxane possessing alkoxysilyl groups was newly synthesized as a nanobuilding block to form a gas permeable membrane.
Synthesis of bis-(benzocyclohexan-ketoimino) Ni(ii) with different electron groups and their catalytic copolymerization of norbornene and polar norbornene
Authors: He Xiaohui , Yang Yingping , Wang Suli , Han Zhilong , Tu Guangshui , Zhang Feng , Huang Shengmei , Wang Zijie , Chen Defu
Published: October 2017

Several N,O-chelating type bidentate ligand nickel complexes were synthesized, characterized and applied to catalyze copolymerization of norbornene and polar norbornene.
Effect of nanosilica content on the corrosion inhibition of composite coatings of a filled epoxy resin grafted with a hydrophobic fluoroalkylsilane: a dual critical concentrations interpretation
Authors: Deng Fuguo , Wang Lishi , Zhou Yong , Gong Xinghou , Zhao Xipo , Hu Tao , Wu Chonggang
Published: October 2017

Hydrophobic epoxy-resin composite coatings uniquely display double corrosion-inhibition extrema at nanosilica dual critical concentrations of 0–0.5 and ∼3 wt%.
Elucidating the mechanism of the Ley–Griffith (TPAP) alcohol oxidation
Authors: Zerk Timothy J. , Moore Peter W. , Harbort Joshua S. , Chow Sharon , Byrne Lindsay , Koutsantonis George A. , Harmer Jeffrey R. , Martínez Manuel , Williams Craig M. , Bernhardt Paul V.
Published: October 2017

The mechanism of the Ley–Griffith alcohol oxidation has been elucidated using time-resolved spectroscopic methods.
Bimetallic PtAg alloyed nanoparticles and 3-D mesoporous graphene nanosheet hybrid architectures for advanced oxygen reduction reaction electrocatalysts
Authors: Li Zesheng , Li Yunyong , He Chunyong , Shen Pei Kang
Published: October 2017

Novel hybrid architectures made up of ultrafine and uniform AgPt alloyed nanoparticles and 3-D conductive networks of mesoporous graphene nanosheets are first synthesized for advanced ORR electrocatalysts.
Fiber-based all-solid-state asymmetric supercapacitors based on Co3O4@MnO2 core/shell nanowire arrays
Authors: Niu Xiaoying , Zhu Guoyin , Yin Zhihui , Dai Ziyang , Hou Xiaocheng , Shao Jinjun , Huang Wei , Zhang Yizhou , Dong Xiaochen
Published: October 2017

Schematic illustration of the fabrication process and charge storage mechanism of the hierarchical Ni wire/Co3O4@MnO2 nanowire array electrode.
Controllable synthesis of hollow copper oxide encapsulated into N-doped carbon nanosheets as high-stability anodes for lithium-ion batteries
Authors: Tan Yingbin , Jia Zhiqing , Sun Jiyang , Wang Yongzhe , Cui Zhonghui , Guo Xiangxin
Published: October 2017

Well-designed hollow CuO@NCS composites are employed in lithium-ion batteries and exhibit long-term cyclability and high-rate capacity.
Functional hollow nanostructures for imaging and phototherapy of tumors
Authors: Wang Jinping , Li Nan
Published: October 2017

Various types of inorganic and organic phototherapeutic hollow nanostructures for the imaging and treatment of tumors are reviewed.
Targeted killing of prostate cancer cells using antibody–drug conjugated carbon nanohorns
Authors: Lucío María Isabel , Opri Roberta , Pinto Marcella , Scarsi Alessia , Fierro Jose L. G. , Meneghetti Moreno , Fracasso Giulio , Prato Maurizio , Vázquez Ester , Herrero María Antonia
Published: October 2017

Stable antibody–drug–carbon nanohorns conjugates are able to selectively target and kill prostate cancer cells thanks to a PSMA specific antibody.
Organometal halide perovskite nanocrystals embedded in silicone resins with bright luminescence and ultrastability
Authors: Wang Hai , Lin Hechun , Piao Xianqing , Tian Pei , Fang Minjie , An Xue’e , Luo Chunhua , Qi Ruijuan , Chen Ye , Peng Hui
Published: October 2017

The formation of CH3NH3PbBr3 nanocrystals and silicone resin composites greatly improves the stability of CH3NH3PbBr3 nanocrystals against water, heat and UV exposure.
Preserving the spin transition properties of iron-triazole coordination polymers within silica-based nanocomposites
Authors: Voisin H. , Aimé C. , Vallée A. , Bleuzen A. , Schmutz M. , Mosser G. , Coradin T. , Roux C.
Published: October 2017

Composites integrating one dimensional iron(ii) polymers and silica particles preserve the spin-crossover properties of polymer when the interface polymer-silica is controlled.
Rhodium-Catalyzed Desymmetrization of meso-Glutaric Anhydrides to Access Enantioenriched anti,anti-Polypropionates
Authors: Rovis Tomislav , Cochran Brian , Henderson Daniel , Thullen Scott
Published: October 2017

An expedient desymmetrization of 3,5-dimethyl-4-alkoxyglutaric anhydrides to access anti,anti-polypropionates is described. The previously unknown anhydrides are rapidly assembled from readily available precursors. A Rh(I)·t-BuPHOX catalyst system was found to provide good yield and high selectivities. With these conditions, the trisubstituted anhydrides were desymmetrized with various alkyl zinc reagents to provide synthetically useful enantioenriched anti,anti-2,4-dimethyl-3-hydroxy-δ-ketoacids. An identical catalyst system also affords access to syn,syn-stereotriads as well as a partial kinetic resolution of a chiral anhydride.
Iron-Catalyzed Silylation of Alcohols by Transfer Hydrosilylation with Silyl Formates
Authors: Cantat Thibault , Godou Timothé , Chauvier Clément , Thuéry Pierre
Published: October 2017

An iron catalyst is shown for the first time to promote transfer hydrosilylation with silyl formates and is utilized for the silylation of alcohols. Attractive features of this protocol include the use of an earth-abundant transition-metal catalyst, mild reaction conditions, and the release of gases as the only byproducts (H2 and CO2).
Frame-Based Stereotactic-Guided Excision of Colloid Cyst of Cavum Septum Pellucidum through Transcallosal Approach—A Technical Note
Authors: Parthiban J. , Shanthanam S. , Manivasagam R.
Published: October 2017

Colloid cyst is a rare benign intracranial lesion. Due to its embryologic origin and development, it is commonly located within the third ventricle, though it also presents at various locations. Its location within cavum septum pellucidum is rarely reported. Operative approaches to such lesion can be challenging and misleading due to intraoperative variations. However, surgical resection in such locations are simplified and perfected with stereotactic guidance. A case of colloid cyst within the cavum septum pellucidum and the importance of stereotactic guidance in precisely reaching the lesion, thus minimizing the dissection of corpus callosum, are discussed.
Management of Immune-Mediated Paraneoplastic Neurological Disorders
Authors: Ayzenberg Ilya , Gold Ralf , Kleiter Ingo
Published: October 2017

Paraneoplastic neurological disorders are rare and clinically heterogeneous diseases. They can affect both the central and peripheral nervous system as well as the neuromuscular junction and muscle. Neurological deficits develop in 2/3 of cases prior to cancer diagnosis. The diagnostic approach includes screening for antineuronal antibodies and a search for the underlying tumor. A prompt tumor therapy in combination with immunotherapy is the cornerstone in the management of these diseases. Due to lack of clinical trials, treatment recommendations are based on case series and expert opinions. High-dose corticosteroids, intravenous immunoglobulins and apheresis therapies are often used in the acute stage of the disease. These therapies should be started as early as possible, e. g., during tumor screening, in order to prevent irreversible damage. Long-term treatment is mostly immunosuppressive and depends on the specific paraneoplastic syndrome. Outcomes vary depending upon the prognosis of the underlying cancer and the nature of the antineuronal antibodies. Disorders with antibodies directed against antigens on the neuronal cell surface are highly sensitive to B cell-directed therapies and mostly associated with a favorable outcome. A thorough review of published data on actual treatment recommendation is provided along with discussion of currently not validated, but potentially effective new therapies.
Pädiatrische Endoskopie – ein Update
Authors: Schreiber-Dietrich Dagmar , Hocke Michael , Gottschalk Uwe , Meier Peter , Dietrich Christoph
Published: October 2017

Kinderendoskopie ist ein typisches Beispiel für die Verzahnung von getrennten Fachgebieten. Sie wird in Deutschland unterschiedlich gehandhabt. Die meisten Endoskopien liegen in der Hand der Gastroenterologen aus der Erwachsenenmedizin, da Pädiater mit endoskopischer Erfahrung nicht flächendeckend vorgehalten werden können. Auf der anderen Seite existieren Zentren mit hoher Expertise in der Hand erfahrener Kindergastroenterologen. Über die Besonderheiten der Endoskopie beim Kind gibt es kaum Literatur. In diesem Artikel haben sich Pädiater und Gastroenterologen aus der Erwachsenenmedizin zusammengefunden, um die Besonderheiten der Endoskopie im Kindesalter zu beschreiben und nachvollziehbar anwendbar zu machen. Ziel ist es, Erfahrungen aus den Besonderheiten der Kindergastroenterologie zusammenzufassen, um sowohl Pädiatern als auch kinderendoskopisch tätigen Gastroenterologen in ihrer Tätigkeit eine Hilfestellung zu geben.
A comparison of outcomes of carpal tunnel release for
carpal tunnel syndrome in patients diagnosed with and without
electrophysiological studies
Authors: Puchalski Piotr , Zyluk Andrzej , Szlosser Zbigniew
Published: October 2017

Records were analysed from the institutional database, including 943 patients
(1089 hands) with CTS who were operated on in the authors’ department over a
period of four years (2012 to 2015). The diagnosis of CTS was made solely on the
basis of clinical findings in 551 patients (58 %); 392 patients (42 %) also had
electrodiagnostic tests performed, for various reasons. Patients were
followed-up at 1 and 6 months with assessments that included the Levine scores,
filament tests, grip and pinch strength. No significant differences in Levine
scores were found at the 1 and 6 month assessments. Statistically significant
differences were noted in 3-point pinch strength and sensation: however, these
were not clinically meaningful. The results of the study show that the results
of carpal tunnel release in patients with typical symptoms are no better after
electrodiagnostic tests.
Automated placement of interfaces in conformational kinetics calculations using machine learning
Authors: Grazioli Gianmarc , Butts Carter T. , Andricioaei Ioan
Published: October 2017

Several recent implementations of algorithms for sampling reaction pathways employ a strategy for placing interfaces or milestones across the reaction coordinate manifold. Interfaces can be introduced such that the full feature space describing the dynamics of a macromolecule is divided into Voronoi (or other) cells, and the global kinetics of the molecular motions can be calculated from the set of fluxes through the interfaces between the cells. Although some methods of this type are exact for an arbitrary set of cells, in practice, the calculations will converge fastest when the interfaces are placed in regions where they can best capture transitions between configurations corresponding to local minima. The aim of this paper is to introduce a fully automated machine-learning algorithm for defining a set of cells for use in kinetic sampling methodologies based on subdividing the dynamical feature space; the algorithm requires no intuition about the system or input from the user and scales to high-dimensional systems.
Current-driven domain wall motion based memory devices: Application to a ratchet ferromagnetic strip
Authors: Sánchez-Tejerina Luis , Martínez Eduardo , Raposo Víctor , Alejos Óscar
Published: October 2017

Ratchet memories, where perpendicular magnetocristalline anisotropy is tailored so as to precisely control the magnetic transitions, has been recently proven to be a feasible device to store and manipulate data bits. For such devices, it has been shown that the current-driven regime of domain walls can improve their performances with respect to the field-driven one. However, the relaxing time required by the traveling domain walls constitutes a certain drawback if the former regime is considered, since it results in longer device latencies. In order to speed up the bit shifting procedure, it is demonstrated here that the application of a current of inverse polarity during the DW relaxing time may reduce such latencies. The reverse current must be sufficiently high as to drive the DW to the equilibrium position faster than the anisotropy slope itself, but with an amplitude sufficiently low as to avoid DW backward shifting. Alternatively, it is possible to use such a reverse current to increase the proper range of operation for a given relaxing time, i.e., the pair of values of the current amplitude and pulse time that ensures single DW jumps for a certain latency time.
Temperature tuning from direct to inverted bistable electroluminescence in resonant tunneling diodes
Authors: Hartmann F. , Pfenning A. , Rebello Sousa Dias M. , Langer F. , Höfling S. , Kamp M. , Worschech L. , Castelano L. K. , Marques G. E. , Lopez-Richard V.
Published: October 2017

We study the electroluminescence (EL) emission of purely n-doped resonant tunneling diodes in a wide temperature range. The paper demonstrates that the EL originates from impact ionization and radiative recombination in the extended collector region of the tunneling device. Bistable current-voltage response and EL are detected and their respective high and low states are tuned under varying temperature. The bistability of the EL intensity can be switched from direct to inverted with respect to the tunneling current and the optical on/off ratio can be enhanced with increasing temperature. One order of magnitude amplification of the optical on/off ratio can be attained compared to the electrical one. Our observation can be explained by an interplay of moderate peak-to-valley current ratios, large resonance voltages, and electron energy loss mechanisms, and thus, could be applied as an alternative route towards optoelectronic applications of tunneling devices.
Study on optimal design of 210kW traction IPMSM considering thermal demagnetization characteristics
Authors: Kim Young Hyun , Lee Seong Soo , Cheon Byung Chul , Lee Jung Ho
Published: October 2017

This study analyses the permanent magnet (PM) used in the rotor of an interior permanent magnet synchronous motor (IPMSM) used for driving an electric railway vehicle (ERV) in the context of controllable shape, temperature, and external magnetic field. The positioning of the inserted magnets is a degree of freedom in the design of such machines. This paper describes a preliminary analysis using parametric finite-element method performed with the aim of achieving an effective design. Next, features of the experimental design, based on methods such as the central-composition method, Box-Behnken and Taguchi method, are explored to optimise the shape of the high power density. The results are used to produce an optimal design for IPMSMs, with design errors minimized using Maxwell 2D, a commercial program. Furthermore, the demagnetization process is analysed based on the magnetization and demagnetization theory for PM materials in computer simulation. The result of the analysis can be used to calculate the magnetization and demagnetization phenomenon according to the input B-H curve. This paper presents the conditions for demagnetization by the external magnetic field in the driving and stopped states, and proposes a simulation method that can analyse demagnetization phenomena according to each condition and design the IPMSM that maximizes efficiency and torque characteristics. Finally, operational characteristics are analysed in terms of the operation patterns of railway vehicles, and control conditions are deduced to achieve maximum efficiency in all sections. This was experimentally verified.
Infrared absorption spectra of partially deuterated methoxy radicals CH2DO and CHD2O isolated in solid para-hydrogen
Authors: Haupa Karolina A. , Johnson Britta A. , Sibert Edwin L. , Lee Yuan-Pern
Published: October 2017

The investigation of partially deuterated methoxy radicals is important because the symmetry lowering from C3v to Cs provides new insights into the couplings between rovibronic states via Jahn-Teller and spin-orbit interactions. The vibrational spectrum of the partially deuterated methoxy radical CH2DO in a matrix of p-H2 has been recorded. This species was prepared by irradiating a p-H2 matrix containing deuterated d1-nitritomethane (CH2DONO) at 3.3 K with laser light at 355 nm. The identification of the radical is based on the photochemical behavior of the precursor and comparison of observed vibrational wavenumbers and infrared (IR) intensities with those predicted from a refined quartic, curvilinear, internal coordinate force field calculated with the coupled-cluster singles and doubles with perturbative triples/cc-pVTZ method. CH2DO reacts with H2 with a rate coefficient (3.5 ± 1.0) × 10−3 s−1. Predominantly c-CHDOH and a negligibly small amount of t-CHDOH were produced. This stereoselectivity results from the reaction H + Cs-CH2DOH, which was demonstrated by an additional experiment on irradiation of a CH2DOH/Cl2/p-H2 matrix with ultraviolet and IR light to induce the H + CH2DOH reaction; only c-CHDOH was observed from this experiment. Even though the energies of transition states and products for the formation of c-CHDOH and t-CHDOH differ by only ∼10 cm−1, the selective formation of c-CHDOH can be explained by tunneling of the hydrogen atom via an optimal tunneling path. Similarly, the vibronic spectrum for the partially deuterated specie d2-methoxy radical (CHD2O) was obtained upon irradiation of d2-nitritomethane (CHD2ONO) at 355 nm. Lines associated with the fundamental vibrational modes were observed and assigned; line positions agree with theoretically predicted vibrational wavenumbers. CHD2O reacts with H2 with a rate coefficient (6.0 ± 1.4) × 10−3 s−1; CD2OH was produced as a major product because the barrier for the formation of CHDOH from H + CHD2OH is greater by ∼400 cm−1. Rate coefficients of the decays of CH3O, CH2DO, CHD2O, and CD3O and their corresponding potential energy surfaces are compared.
c-T phase diagram and Landau free energies of (AgAu)55 nanoalloy via neural-network molecular dynamic simulations
Authors: Chiriki Siva , Jindal Shweta , Bulusu Satya S.
Published: October 2017

For understanding the structure, dynamics, and thermal stability of (AgAu)55 nanoalloys, knowledge of the composition-temperature (c-T) phase diagram is essential due to the explicit dependence of properties on composition and temperature. Experimentally, generating the phase diagrams is very challenging, and therefore theoretical insight is necessary. We use an artificial neural network potential for (AgAu)55 nanoalloys. Predicted global minimum structures for pure gold and gold rich compositions are lower in energy compared to previous reports by density functional theory. The present work based on c-T phase diagram, surface area, surface charge, probability of isomers, and Landau free energies supports the enhancement of catalytic property of Ag–Au nanoalloys by incorporation of Ag up to 24% by composition in Au nanoparticles as found experimentally. The phase diagram shows that there is a coexistence temperature range of 70 K for Ag28Au27 compared to all other compositions. We propose the power spectrum coefficients derived from spherical harmonics as an order parameter to calculate Landau free energies.
Thermally evaporated hybrid perovskite for hetero-structured green light-emitting diodes
Authors: Mariano Fabrizio , Listorti Andrea , Rizzo Aurora , Colella Silvia , Gigli Giuseppe , Mazzeo Marco
Published: October 2017

Thermal evaporation of green-light emitting perovskite (MaPbBr3) films is reported. Morphological studies show that a soft thermal treatment is needed to induce an outstanding crystal growth and film organization. Hetero-structured light-emitting diodes, embedding as-deposited and annealed MAPbBr3 films as active layers, are fabricated and their performances are compared, highlighting that the perovskite evolution is strongly dependent on the growing substrate, too.
High frequency acoustic on-chip integration for particle characterization and manipulation in microfluidics
Authors: Li Sizhe , Carlier Julien , Toubal Malika , Liu Huiqin , Campistron Pierre , Callens Dorothée , Nassar Georges , Nongaillard Bertrand , Guo Shishang
Published: October 2017

This letter presents a microfluidic device that integrates high frequency (650 MHz) bulk acoustic waves for the realization of particle handling on-chip. The core structure of the microfluidic chip is made up of a confocal lens, a vertical reflection wall, and a ZnO film transducer coupled with a silicon substrate for exciting acoustic beams. The excited acoustic waves propagate in bulk silicon and are then guided by a 45° silicon mirror into the suspensions in the microchannel; afterwards, the acoustic energy is focused on particles by the confocal lens and reflected by a reflection wall. Parts of the reflected acoustic energy backtrack into the transducer, and acoustic attenuation measurements are characterized for particle detection. Meanwhile, a strong acoustic streaming phenomenon can be seen around the reflection wall, which is used to implement particle manipulation. This platform opens a frontier for on-chip integration of high sensitivity acoustic characterization and localized acoustic manipulation in microfluidics.