bluuebunny/crossref_metadata_2025 huggingface dataset:
High Quality 3D Photonics using Nano Imprint Lithography of Fast Sol-gel Materials
Authors: Bar-On Ofer , Brenner Philipp , Siegle Tobias , Gvishi Raz , Kalt Heinz , Lemmer Uli , Scheuer Jacob
Published: May 2018

A method for the realization of low-loss integrated optical components is proposed and demonstrated. This approach is simple, fast, inexpensive, scalable for mass production, and compatible with both 2D and 3D geometries. The process is based on a novel dual-step soft nano imprint lithography process for producing devices with smooth surfaces, combined with fast sol-gel technology providing highly transparent materials. As a concrete example, this approach is demonstrated on a micro ring resonator made by direct laser writing (DLW) to achieve a quality factor improvement from one hundred thousand to more than 3 million. To the best of our knowledge this also sets a Q-factor record for UV-curable integrated micro-ring resonators. The process supports the integration of many types of materials such as light-emitting, electro-optic, piezo-electric, and can be readily applied to a wide variety of devices such as waveguides, lenses, diffractive elements and more.
Quantum-Optically Enhanced STORM (QUEST) for Multi-Emitter Localization
Authors: Aßmann Marc
Published: May 2018

Super-resolution imaging has introduced new capabilities to investigate processes at the nanometer scale by optical means. However, most super-resolution techniques require either sparse excitation of few emitters or analysis of high-order cumulants in order to identify several emitters in close vicinity. Here, we present an approach that draws upon methods from quantum optics to perform localization super-resolution imaging of densely packed emitters and determine their number automatically: Quantum-optically enhanced STORM (QUEST). By exploiting normalized photon correlations, we predict a localization precision below 30 nm or better even for closely spaced emitter up to a density of 125 emitters per μm at photon emission rates of 105 photons per second and emitter. Our technique does not require complex experimental arrangements and relies solely on spatially resolved time streams of photons and subsequent data analysis.
Testicular sperm is superior to ejaculated sperm for ICSI in cryptozoospermia: An update systematic review and meta-analysis
Authors: Kang Yi-No , Hsiao Ya-Wen , Chen Chien-Yu , Wu Chien-Chih
Published: May 2018

Intracytoplasmic sperm injection (ICSI) is well established and provides patients with severely impaired sperm quality with an opportunity to father a child. However, previous studies do not clearly indicate whether male with cryptozoospermia should use testicular sperm or ejaculated sperm for ICSI. The newest systematic review of this topic also gave a controversial conclusion that was based on incorrect pooling result. Moreover, two clinical studies published after the systematic review. In the present update systematic review and meta-analysis, a comprehensive citation search for relevant studies was performed using the Cochrane library databases, Embase, Ovid MEDLINE, PubMed, ScienceDirect, Scopus, and Web of Science up to September 2017. The search returned 313 records, in which six studies were included in quantitative synthesis. These studies involved 578 male infertility patients who had undergone 761 ICSI cycles. The risk ratios favour fresh testicular sperm for good quality embryo rate (1.17, 95% CI 1.05–1.30, P = 0.005), implantation rate (95% CI 1.02–2.26, P = 0.04), and pregnancy rate (RR = 1.74, 95% CI 1.20–2.52, P = 0.004). In conclusion, the existing evidence suggests that testicular sperm is better than ejaculated sperm for ICSI in male with cryptozoospermia.
Eradication of hepatitis C virus is associated with the attenuation of steatosis as evaluated using a controlled attenuation parameter
Authors: Shimizu Kohei , Soroida Yoko , Sato Masaya , Hikita Hiromi , Kobayashi Tamaki , Endo Momoe , Sato Mamiko , Gotoh Hiroaki , Iwai Tomomi , Tateishi Ryosuke , Koike Kazuhiko , Yatomi Yutaka , Ikeda Hitoshi
Published: May 2018

Chronic hepatitis C virus (HCV) infection was shown to cause hepatic steatosis or suppression of serum lipid levels. However, little is known about the changes in hepatic steatosis following HCV eradication. We aimed to evaluate this issue using the controlled attenuation parameter (CAP), which was recently shown to provide a standardized non-invasive measure of hepatic steatosis. We enrolled 70 patients with chronic HCV infections and steatosis (CAP of over 248 dB/m) who had achieved a sustained viral response at 12 weeks after discontinuation of antiviral treatment using direct-acting antivirals (DAA). We then evaluated the state of hepatic steatosis before and after HCV eradication. We also investigated the changes in serum parameters such as cholesterol and glucose levels. The median value of CAP level decreased significantly after HCV eradication from 273 dB/m to 265 dB/m (P = 0.034). Also, LDL and HDL cholesterol levels increased significantly after HCV eradication (P = 0.002 and P = 0.027, respectively). In conclusion, a decrease in hepatic steatosis after HCV eradication with DAA was revealed in chronic hepatitis C patients with significant steatosis. Cancellation of the viral effect is a possible underlying cause of hepatic steatosis improvement and increase in HDL and LDL cholesterol levels.
Correction: Corrigendum: Monocyte-induced recovery of inflammation-associated hepatocellular dysfunction in a biochip-based human liver model
Authors: Gröger Marko , Rennert Knut , Giszas Benjamin , Weiß Elisabeth , Dinger Julia , Funke Harald , Kiehntopf Michael , Peters Frank T. , Lupp Amelie , Bauer Michael , Claus Ralf A. , Huber Otmar , Mosig Alexander S.
Published: May 2018

Scientific Reports 6: Article number: 21868; published online: 23 February 2016; updated: 14 May 2018 The Acknowledgements section in this Article is incomplete. “We thank Torsten Mayr and Josef Ehgartner (Institute of Analytical Chemistry and Food Chemistry, Graz University of Technology, Graz, Austria) for providing oxygen sensors.
Enhanced alkaline stability in a hafnium-substituted NaSICON ion conductor
Authors: Small Leo J. , Wheeler Jill S. , Ihlefeld Jon F. , Clem Paul G. , Spoerke Erik D.
Published: May 2018

Substitution of Hf4+ into NaSICON ion conductor crystal structure imparts improved resistance to alkaline degradation in aqueous media.
Biologically inspired, catechol-coordinated, hierarchical organization of raspberry-like calcium phosphate nanospheres with high specific surface area
Authors: Ma Xiaomin , Sun Zhe , Su Wen , Yi Zeng , Cui Xinxing , Guo Bo , Li Xudong
Published: May 2018

Catechol directs the assembly of mesoporous CaP spheres with a hierarchically reticulated architecture and excellent interconnectivity.
Smart blood spots for whole blood protein analysis
Authors: Skjærvø Øystein , Halvorsen Trine Grønhaug , Reubsaet Léon
Published: May 2018

A reactor for whole blood sampling integrated with instant protein digestion in a “lab-on-paper” format is introduced here.
Development of highly sensitive fluorescent probes for the detection of β-galactosidase activity – application to the real-time monitoring of senescence in live cells
Authors: Safir Filho Mauro , Dao Pascal , Gesson Maéva , Martin Anthony R. , Benhida Rachid
Published: May 2018

Highly sensitive fluorescent reporters for the detection and monitoring of β-galactosidase activity in live cells.
Small molecule–protein interactions in branch migration thermodynamics: modelling and application in the homogeneous detection of proteins and small molecules
Authors: Zhou Xing , Cui Zhangbo , Liu Liquan , Sun Ziyong , Lin Meng , Hu Qingyi , Wang Hongbo , Xiao Xianjin
Published: May 2018

A homogeneous assay for proteins and small molecules with ultra-high inhibition factors and sensitivity was established.
Selection of DNA aptamers and establishment of an effective aptasensor for highly sensitive detection of cefquinome residues in milk
Authors: Wang Lihui , Wang Chuchu , Li Hao
Published: May 2018

Cefquinome (CFQ), which is a fourth-generation cephalosporin approved for veterinary use only, has been widely used for treating porcine or bovine respiratory infection, bovine mastitis and other diseases.
Small bite-angle 2-phosphinophosphinine ligands enable rhodium-catalysed hydroboration of carbonyls
Authors: Newland Robert J. , Lynam Jason M. , Mansell Stephen M.
Published: May 2018

2-Phosphinophosphinine ligands generate Rh catalysts for the hydroboration of ketones and imines in contrast to standard phosphine ligands.
Super-resolution force spectroscopy reveals ribosomal motion at sub-nucleotide steps
Authors: Jia Haina , Wang Yuhong , Xu Shoujun
Published: May 2018

Combination of ultrasound radiation and automated atomic magnetometer provides ultrahigh molecular force resolution that can resolve sub-nucleotide ribosomal motion.
1-Methyl-4-aryl-urazole (MAUra) labels tyrosine in proximity to ruthenium photocatalysts
Authors: Sato Shinichi , Hatano Kensuke , Tsushima Michihiko , Nakamura Hiroyuki
Published: May 2018

The 1-methyl-4-aryl-urazole (MAUra) structure was found to be a novel tyrosyl radical trapping agent to label tyrosine residues effectively in proximity to ruthenium photocatalysts.
A disguised hydride in a butylmagnesium cation
Authors: Banerjee Sumanta , Ankur Ankur , Andrews Alex , Venugopal Ajay
Published: May 2018

The reactivity of a butylmagnesium cation provides a new perspective on the concept of β-hydride abstraction in s-block chemistry.
Weakly-coordinating N-oxide and carbonyl groups for metal-catalyzed C–H activation: the case of A-ring functionalization
Authors: da Silva Júnior Eufrânio N. , Jardim Guilherme A. M. , Gomes Roberto S. , Liang Yu-Feng , Ackermann Lutz
Published: May 2018

This feature review is focused on recent challenges based on the functionalizations at C-8 and C-5 positions of heterocyclic and quinoidal compounds – a topic that is still rarely explored in the literature.
Raman fingerprints of amyloid structures
Authors: Flynn Jessica D. , Lee Jennifer C.
Published: May 2018

Amyloids have well-ordered β-strands with aligned amide bonds and strong coupled vibrational modes, measurable by Raman microspectroscopy.
Time programmable hydrogels: regulating the onset time of network dissociation by a reaction relay
Authors: Hu K. , Sheiko S. S.
Published: May 2018

A delayed auto-erasable hydrogel ink programed by a reaction relay is demonstrated in this communication.
Catalysis of photooxidation reactions through transformation between Cu2+ and Cu+ in TiO2–Cu–MOF composites
Authors: Chen Chunjun , Wu Tianbin , Yang Dexin , Zhang Pei , Liu Huizhen , Yang Youdi , Yang Guanying , Han Buxing
Published: May 2018

Novel porous TiO2@Cu3(BTC)2 composites, which were synthesized using ionic liquids (ILs) as solvents, exhibited excellent activity for photooxidation of styrene to 4-aryl tetralones and promoting the Glaser coupling reaction with O2 under light irradiation.
Characterization of the short OC⋯OC π-hole tetrel bond in the solid state
Authors: Shukla Rahul , Chopra Deepak
Published: May 2018

An in-depth structure database investigation and experimental charge density analysis of the OC⋯OC π-hole tetrel bonds.
Selective chiral symmetry breaking and luminescence sensing of a Zn(ii) metal–organic framework
Authors: Cui Zheng , Zhou Lei , Qin Bowen , Zhou Baolei , Zhang Xiaoying , Li Wenliang , Zhang Jingping
Published: May 2018

The non-random handedness excess is observed in a chiral metal–organic framework [(CH3)2NH2]5[Zn1.5(Zn3O)(TATAT)2]·9DMF·17H2O (1, 1P ≫ 1M) without any chiral sources.
Construction of a new binding manner in carboxylic acid-functionalized phosphomolybdates
Authors: Wang Jin , Shi Wenjie , Li Shujie , Mao Qiyun , Ma Pengtao , Niu Jingyang , Wang Jingping
Published: May 2018

A new binding manner of C–N–Mo bonds was constructed in carboxylic acid-functionalized phosphomolybdates, and the polyanion was present as a hexamer.
Versatile organoaluminium catalysts based on heteroscorpionate ligands for the preparation of polyesters
Authors: Martínez J. , Martínez de Sarasa Buchaca M. , de la Cruz-Martínez F. , Alonso-Moreno C. , Sánchez-Barba L. F. , Fernandez-Baeza J. , Rodríguez A. M. , Rodríguez-Diéguez A. , Castro-Osma J. A. , Otero A. , Lara-Sánchez A.
Published: May 2018

Aluminium complexes have been developed as versatile catalysts for the preparation of polyesters.
Preparation and characterisation of heterobimetallic copper–tungsten hydride complexes
Authors: Hicken Alexandra , White Andrew J. P. , Crimmin Mark R.
Published: May 2018

The preparation and structural characterisation of three new heterobimetallic hydride complexes containing 3-centre,2-electron W–H–Cu bonds is reported.
Peptide metal–organic frameworks under pressure: flexible linkers for cooperative compression
Authors: Navarro-Sánchez José , Mullor-Ruíz Ismael , Popescu Catalin , Santamaría-Pérez David , Segura Alfredo , Errandonea Daniel , González-Platas Javier , Martí-Gastaldo Carlos
Published: May 2018

The peptidic linker in Zn(GlyTyr)2 provides a compressible cushion that allows for accommodating large distortions in the framework whilst avoiding amorphization.
Dietary fatty acid composition impacts plasma fatty acid ethanolamide levels and body composition in golden Syrian hamsters
Authors: Sihag Jyoti , Jones Peter J. H.
Published: May 2018

Fatty acid ethanolamides (FAEs) are a class of lipid amides that regulate numerous pathophysiological functions.
Modular biomanufacturing for a sustainable production of terpenoid-based insect deterrents
Authors: Mischko Wolfgang , Hirte Max , Roehrer Simon , Engelhardt Hannes , Mehlmer Norbert , Minceva Mirjana , Brück Thomas
Published: May 2018

A sustainable production process of a new terpenoid-based insect deterrent which might serve as a future alternative to synthetic solutions.
Development of a microwave-assisted ultraviolet digestion method for biodiesel and subsequent trace elements determination by SF-ICP-MS
Authors: Barela P. S. , Souza J. P. , Pereira J. S. F. , Marques J. C. , Müller E. I. , Moraes D. P.
Published: May 2018

A microwave-assisted ultraviolet digestion (MW-UV) method for biodiesel is proposed for subsequent determination of Ba, Co, Cr, Cu, Mn, Ni, Pb, Sr, and V by sector field inductively coupled plasma mass spectrometry (SF-ICP-MS).
NiO nanoparticle surface energy studies using first principles calculations
Authors: Xiang Junxiang , Xiang Bin , Cui Xudong
Published: May 2018

Understanding the correlations between active sites and surface energies of Miller index surfaces is of practical importance to get insights into catalytic efficiency.
Surface enhanced fluorescence and nanoscopic cell wall deformation in adheringStaphylococcus aureusupon exposure to cell wall active and non-active antibiotics
Authors: Carniello Vera , Peterson Brandon W. , Sjollema Jelmer , Busscher Henk J. , van der Mei Henny C.
Published: May 2018

Surface enhanced fluorescence detects nanoscopic cell wall deformations in adhering staphylococci as a bacterial response to antibiotic exposure.
Preparation of boron-doped mesoporous carbon with aromatic compounds as expanding agents
Authors: Zhang Yan , Ma Bing’e , Liu Yujian
Published: May 2018

TMB, TEB and TiPB exhibit both penetration and swelling effects, and the pore size of B-OMCs increases with their increasing hydrophobicity.
Modeling, optimization and experimental studies of supported nano-bimetallic catalyst for simultaneous total conversion of toluene and cyclohexane in air using a hybrid intelligent algorithm
Authors: Zabihi Mohammad , Babajani Nasser
Published: May 2018

This study reveals the simultaneous deep oxidation of toluene and cyclohexane over optimal supported bimetallic catalysts over almond shell based activated carbon.
Wet-spun graphene filaments: effect of temperature of coagulation bath and type of reducing agents on mechanical & electrical properties
Authors: Oksuz Melik , Erbil H. Yildirim
Published: May 2018

Cold isopropanol coagulation bath and use of acetic acid/hydriodic acid reduction resulted in better tensile strength for wet-spun graphene filaments.
Enhanced sunlight-driven photocatalytic property of Mg-doped ZnO nanocomposites with three-dimensional graphene oxide/MoS2 nanosheet composites
Authors: Chen Chuansheng , Mei Wei , Yu Weiwei , Chen Xi'an , Zeng Longhui , Tsang Yuenhong , Chao Zisheng , Liu Xiaoyan
Published: May 2018

Graphene oxide (GO) has been the focus of attention as it can enhance the photocatalytic activity of semiconductors due to its large specific surface area and remarkable optical and electronic properties.
An efficient access to β-ketosulfones via β-sulfonylvinylamines: metal–organic framework catalysis for the direct C–S coupling of sodium sulfinates with oxime acetates
Authors: To Tuong A. , Tran Chau B. , Nguyen Ngoc T. H. , Nguyen Hai H. T. , Nguyen Anh T. , Phan Anh N. Q. , Phan Nam T. S.
Published: May 2018

Cu2(OBA)2(BPY) was used as catalyst for the synthesis of β-sulfonylvinylamines from sodium sulfinates and oxime acetates. These β-sulfonylvinylamines were readily converted to corresponding β-ketosulfones via a hydrolysis step.
Sensitive quantitative analysis of the bitter glycoside amarogentin by specific monoclonal antibody-based indirect competitive enzyme-linked immunosorbent assay
Authors: Sakamoto Seiichi , Wada Shinji , Tanaka Hiroyuki , Morimoto Satoshi
Published: May 2018

MAb 1E9 was generated from AG–BSA conjugates possessing one AG molecule per BSA for icELISA.
Fe3O4 nanoparticles decorated on a CuS platelet-based sphere: a popcorn chicken-like heterostructure as an ideal material against electromagnetic pollution
Authors: Sun Xiaodong , Sui Mingxu , Cui Guangzhen , Li Ling , Li Xiaopeng , Lv Xuliang , Wu Fan , Gu Guangxin
Published: May 2018

A popcorn chicken-like CuS/Fe3O4 heterostructure was fabricated via the solvothermal deposition method to investigate its potential as a high electromagnetic wave absorber.
The biologically mediated water–gas shift reaction: structure, function and biosynthesis of monofunctional [NiFe]-carbon monoxide dehydrogenases
Authors: Alfano Marila , Cavazza Christine
Published: May 2018

Syngas, an inexpensive and versatile substrate generated from any hydrocarbon feedstock, can be upgradedviathe water–gas shift reaction to produce commodity products and fuels.
MOFs as an electron-transfer-bridge between a dye photosensitizer and a low cost Ni2P co-catalyst for increased photocatalytic H2 generation
Authors: Wu Li , Tong Youchi , Gu Lina , Xue Zhaoming , Yuan Yupeng
Published: May 2018

Just like in the Chinese fairy tale of the Cowherd and the Weaver Girl, where they meet each other with the aid of a magpie-bridge, photogenerated electrons can efficiently transfer from a dye to a Ni2P co-catalyst with the aid of MOFs, thereby leads to increased H2 generation.
Understanding the surface properties and rheology of a silica suspension mediated by a comb-type poly(acrylic acid)/poly(ethylene oxide) (PAA/PEO) copolymer: effect of salinity
Authors: Yang Dingzheng , Yan Bin , Xiang Li , Xu Haolan , Wang Xiaogang , Zeng Hongbo
Published: May 2018

Understanding the surface properties and rheology of colloidal suspensions in the presence of polymer additives with high salinity is of great importance in a wide range of industrial applications.
Supramolecular platinum(ii) complexes with highly efficient monomer luminescence
Authors: Zheng Xiaorui , Ning Binke , Xue Chao , Wang Lieping , Wang Wei , Liu Kangyun , Huang Xiao-ying , Liu Yadong
Published: May 2018

A new platinum(ii) complex containing a quaternary ammonium group was synthesized.
LISICON structured Li3V2(PO4)3 with high rate and ultralong life for low-temperature lithium-ion batteries
Authors: Qin Ruihuan , Wei Yaqing , Zhai Tianyou , Li Huiqiao
Published: May 2018

Pure phase LISICON structured r-Li3V2(PO4)3 was successfully prepared and investigated for the first time as a low temperature cathode for lithium-ion batteries. It exhibits a high rate capability and long cycle stability.
Preventing lithium dendrite-related electrical shorting in rechargeable batteries by coating separator with a Li-killing additive
Authors: Zhang Sheng S. , Fan Xiulin , Wang Chunsheng
Published: May 2018

A separator having one side coated with TiO2–Kynar composite effectively prevents Li dendrite-related electrical shorting while still providing all the benefits of a composite gel polymer electrolyte.
Fabrication of high performance silk fibroin fibers via stable jet electrospinning for potential use in anisotropic tissue regeneration
Authors: Yi Bingcheng , Zhang Huilan , Yu Zhepao , Yuan Huihua , Wang Xianliu , Zhang Yanzhong
Published: May 2018

The high performance of SF fibers is attributed to the high fiber alignment, molecular orientation and contents of the β-pleated sheet.
Bi3+ acting both as an electron and as a hole trap in La-, Y-, and LuPO4
Authors: Lyu Tianshuai , Dorenbos Pieter
Published: May 2018

The vacuum referred binding energy (VRBE)-guided design of Bi3+-based storage and afterglow materials together with charge carrier trapping processes is explored with a study on bismuth- and lanthanide-doped rare earth ortho-phosphates.
Combinatorial synthesis and screening of (Ba,Sr)(Ti,Mn)O3 thin films for optimization of tunable co-planar waveguides
Authors: Bakaimi Ioanna , He Xingli , Guerin Samuel , Hashim Nur Zatil Ismah , Luo Qi , Reaney Ian M. , Gao Steven , Hayden Brian E. , de Groot C. H. Kees
Published: May 2018

(BaSr)/(TiMn)O3 dielectric thin films prepared by combinatorial synthesis are used in tunable co-planar waveguides which allowed measurements at frequencies exceeding 10 GHz.
Anti-σ factor YlaD regulates transcriptional activity of σ factor YlaC and sporulation via manganese-dependent redox-sensing molecular switch in Bacillus subtilis
Authors: Kwak Min-Kyu , Ryu Han-Bong , Song Sung-Hyun , Lee Jin-Won , Kang Sa-Ouk
Published: May 2018

YlaD, a membrane-anchored anti-sigma (σ) factor of Bacillus subtilis, contains a HX3CXXC motif that functions as a redox-sensing domain and belongs to one of the zinc (Zn)-co-ordinated anti-σ factor families. Despite previously showing that the YlaC transcription is controlled by YlaD, experimental evidence of how the YlaC–YlaD interaction is affected by active cysteines and/or metal ions is lacking. Here, we showed that the Pyla promoter is autoregulated solely by YlaC. Moreover, reduced YlaD contained Zn and iron, while oxidized YlaD did not. Cysteine substitution in YlaD led to changes in its secondary structure; Cys3 had important structural functions in YlaD, and its mutation caused dissociation from YlaC, indicating the essential requirement of a HX3CXXC motif for regulating interactions of YlaC with YlaD. Analyses of the far-UV CD spectrum and metal content revealed that the addition of Mn ions to Zn–YlaD changed its secondary structure and that iron was substituted for manganese (Mn). The ylaC gene expression using βGlu activity from Pyla:gusA was observed at the late-exponential and early-stationary phase, and the ylaC-overexpressing mutant constitutively expressed gene transcripts of clpP and sigH, an important alternative σ factor regulated by ClpXP. Collectively, our data demonstrated that YlaD senses redox changes and elicits increase in Mn ion concentrations and that, in turn, YlaD-mediated transcriptional activity of YlaC regulates sporulation initiation under oxidative stress and Mn-substituted conditions by regulating clpP gene transcripts. This is the first report of the involvement of oxidative stress-responsive B. subtilis extracytoplasmic function σ factors during sporulation via a Mn-dependent redox-sensing molecular switch.
Relation Between Iliopsoas Cross-sectional Area and Kicked Ball Speed in Soccer Players
Authors: Wakahara Taku , Chiba Manabu
Published: May 2018

This study aimed to investigate the relationship between the maximal anatomical cross-sectional area (ACSA) of the iliopsoas muscle and ball speed in side-foot and instep kicks. The ACSA of the psoas major and iliacus was measured in 29 male collegiate soccer players by using magnetic resonance imaging. They performed maximal side-foot and instep kicks to a stationary ball. The kicked ball speed was measured with a high-speed camera. Ball speed in the side-foot and instep kicks was significantly correlated with body height (side-foot kick: r=0.650, P<0.001; instep kick: r=0.583, P<0.001). After adjustment for body height, the maximal ACSA of the psoas major was significantly correlated with ball speed in the side-foot kick (r=0.441, P=0.017), but not in the instep kick. The maximal ACSA of the iliacus was not correlated with ball speed in side-foot or instep kicks, even after adjustment for body height. Our results suggest that: 1) body height is a significant determinant of the ball speed in side-foot and instep kicks, and 2) for a given body height, the maximal ACSA of the dominant psoas major is a factor that affects the ball speed in side-foot kick.
Palladium-Catalyzed Decarboxylative N-3-ortho-C–H Acylation of 1,4-Disubstituted 1,2,3-Triazoles with α-Oxocarboxylic Acids
Authors: Ma Xinyuan , Huang Hongtai , Yang Jianhua , Feng Xuepu , Xie Kai
Published: May 2018

An efficient palladium-catalyzed decarboxylative selective C–H acylation is reported using α-oxocarboxylic acids as the acyl source directed by 1,2,3-triazole ring. This method provides a novel access to various 1,2,3-triazole derivatives bearing diaryl ketone skeleton.
Deciphering the Redox Chain Mechanism in the Catalytic Alkylation of Quinones
Authors: Li Zhi , Xu Xiao-Long
Published: May 2018

Alkylation of p-quinones with allylic and benzylic esters is achieved by using a strong Lewis acid as the catalyst. This transformation likely follows an unusual redox chain mechanism. In this mechanism, quinone undergoes a sequence of reactions: it is reduced to ­hydroquinone (HQ), functionalized in a Lewis acid-catalyzed Friedel–Crafts alkylation, and then oxidized back to quinone. The last step is concurrent with the first step of a second quinone molecule, which is reduced to new HQ and functionalized, and thus propagates the redox chain reaction. The autoinitiation mechanism of the redox chain is not well understood, but additive HQ or Hantzsch ester can serve as effective initiators. The likelihood of this mechanism was elaborated by ­kinetic studies and various control experiments.

1 Introduction

2 Discovery of Catalytic Alkylation Reactions of Quinones

3 Proposed Redox Chain Reaction Mechanism and Experimental Evidence

4 Substrate Scope

5 Conclusion
Simplifying Lip Reconstruction: An Algorithmic Approach
Authors: Sanniec Kyle , Carboy Jourdan , Thornton James
Published: May 2018

The authors provide an overview of lip reconstruction after Mohs surgery based on the senior author's practice. Lip reconstruction offers unique challenges to preserve not only lip function but also aesthetics. Lip reconstruction must take into consideration the three anatomical layers that comprise the lip and defects that involve the mucosa, the muscle, the skin or more than one layer will help determine the modality of repair. The authors offer an algorithm based on defect location, tissue involvement, and severity of defect to simplify an often complex decision-making process.
Comparison of Outcomes of Total Hip Arthroplasty to Hemiarthroplasty for Geriatric Hip Fractures: A Literature Review of Large Database Studies
Authors: Haynes Monique , Grauer Jonathan
Published: May 2018

The objective of this article is to review large database comparisons of total hip arthroplasty (THA) to hemiarthroplasty (HA) for geriatric hip fracture patients. This article followed a systematic review of the literature using published studies identified via PubMed as the data source. A literature search was done iteratively with a systematic use of variations of key search terms. The initial search identified 490 references. Of the 490, 15 full-text papers were reviewed. Ultimately, nine papers were included in the review. Five of the included studies utilized the National Surgical Quality Improvement Program database, one utilized Hospital Episode Statistics, one utilized The National Hospital Discharge Survey, one utilized Swedish Nation Hip Fracture/Arthroplasty Register, and the last utilized the ENCLAVE system of the Centers for Medicare & Medicaid Services. These all included data ranging from 2005 to 2013 and included at least 1,000 patients. Clinical postoperative outcomes of THA and HA were grouped and compared among the nine studies. The studies used multivariable analysis to make comparisons, and it is of note that HA is much more common than THA in this patient population. Primary outcome variables evaluated included major/minor complications, mortality, length of stay, postoperative transfusion, readmission, dislocation, and revision. Overall, major and minor adverse events (or a combination of the two) were lower for THA than for HA patients, and postoperative transfusions were more common for THA patients. Mortality was significantly less for THA patients by 3% to 4%. Length of stay was lower for THA patients. Dislocation rates were higher for THA patients at 30 days, 18 months, 24 months, and 4 years by odds ratios of three to five times. One study found THA patients more likely to undergo reoperation. In select geriatric patients with femoral neck fractures, THA and HA may be appropriately considered. For those patients, studies suggest that THA may be associated with fewer postoperative challenges than HA; however, postoperative transfusion and dislocation rates were noted to be higher for THA patients.
Approach to the Post Mohs Patient
Authors: Carboy Jourdan , Thornton James
Published: May 2018

This article discusses the often unique patient presentations and management challenges of the post Mohs resection surgical patient. This includes social, economic, and health issues. Anesthesia considerations and pre- and postoperative care are also discussed in this article.
Long-Term Outcomes of Patients with Squamous Cell Carcinoma of the Temporal Bone after Concomitant Chemoradiotherapy
Authors: Katagiri Katsunori , Saitoh Daisuke , Ogawa Takenori , Higashi Kenjiro , Ariga Hisanori , Shiga Kiyoto
Published: May 2018

Objectives This article aims to clarify the long-term outcomes of patients with squamous cell carcinoma of the temporal bone who underwent concomitant chemoradiotherapy (CCRT).

Design and Setting The study design was a retrospective chart review.

Patients and Methods From December 2001 to June 2014, 23 patients with cancer of the temporal bone who were treated by CCRT at the Tohoku University Hospital and the Iwate Medical University Hospital were enrolled in this study. For advanced cancer of the temporal bone, a modified docetaxel, cisplatin, and 5-fluorouracil (TPF) regimen was used for CCRT. The long-term outcomes, including prognoses and late complications, were analyzed after CCRT of patients with cancers of the temporal bone.

Results The main long-term complications were stenosis of the external auditory canal and conductive hearing loss. No harmful late complications were observed in these patients. Disease-specific survival rates were 84.9% for all patients, 100% for patients of stage I, II, and III (n = 10), and 75.5% for patients of stage IV (n = 13) at 5 years.

Conclusions Our study showed that CCRT is an effective treatment choice for squamous cell carcinoma of the temporal bone. Furthermore, CCRT using the TPF regimen is a safe and effective initial treatment for patients with advanced cancers of the temporal bone.
Spray-loading: A cryogenic deposition method for diamond anvil cell
Authors: Scelta Demetrio , Ceppatelli Matteo , Ballerini Riccardo , Hajeb Ahmed , Peruzzini Maurizio , Bini Roberto
Published: May 2018

An efficient loading technique has been developed for flammable, toxic, or explosive gases which can be condensed at liquid nitrogen temperature and ambient pressure in membrane diamond anvil cells (DACs). This cryogenic technique consists in a deposition of small quantities of the desired gas directly into the sample chamber. The deposition is performed using a capillary that reaches the space between the diamond anvils. The DAC is kept under inert gas overpressure during the whole process, in order to avoid contamination from atmospheric O2, CO2, and H2O. This technique provides significant advantages over standard cryo-loading and gas-loading when the condensation of dangerous samples at liquid nitrogen temperature raises safety concerns because it allows dealing with minimum quantities of condensed gases. The whole procedure is particularly fast and efficient. The “spray-loading” has been successfully used in our laboratory to load several samples including acetylene, ammonia, ethylene, and carbon dioxide/water or red phosphorus/NH3 mixtures.
Anomalous electron transport in Hall-effect thrusters: Comparison between quasi-linear kinetic theory and particle-in-cell simulations
Authors: Lafleur T. , Martorelli R. , Chabert P. , Bourdon A.
Published: May 2018

Kinetic drift instabilities have been implicated as a possible mechanism leading to anomalous electron cross-field transport in E × B discharges, such as Hall-effect thrusters. Such instabilities, which are driven by the large disparity in electron and ion drift velocities, present a significant challenge to modelling efforts without resorting to time-consuming particle-in-cell (PIC) simulations. Here, we test aspects of quasi-linear kinetic theory with 2D PIC simulations with the aim of developing a self-consistent treatment of these instabilities. The specific quantities of interest are the instability growth rate (which determines the spatial and temporal evolution of the instability amplitude), and the instability-enhanced electron-ion friction force (which leads to “anomalous” electron transport). By using the self-consistently obtained electron distribution functions from the PIC simulations (which are in general non-Maxwellian), we find that the predictions of the quasi-linear kinetic theory are in good agreement with the simulation results. By contrast, the use of Maxwellian distributions leads to a growth rate and electron-ion friction force that is around 2–4 times higher, and consequently significantly overestimates the electron transport. A possible method for self-consistently modelling the distribution functions without requiring PIC simulations is discussed.
Third order nonlinear optical properties of a paratellurite single crystal
Authors: Duclère J.-R. , Hayakawa T. , Roginskii E. M. , Smirnov M. B. , Mirgorodsky A. , Couderc V. , Masson O. , Colas M. , Noguera O. , Rodriguez V. , Thomas P.
Published: May 2018

The (a,b) plane angular dependence of the third-order nonlinear optical susceptibility, χ(3), of a c-cut paratellurite (α-TeO2) single crystal was quantitatively evaluated here by the Z-scan technique, using a Ti:sapphire femtosecond laser operated at 800 nm. In particular, the mean value Re(⟨χ(3)⟩a,b)(α-TeO2) of the optical tensor has been extracted from such experiments via a direct comparison with the data collected for a fused silica reference glass plate. A Re(⟨χ(3)⟩(a,b)(α−TeO2)):Re(χ(3))(SiO2 glass) ratio roughly equal to 49.1 is found, and our result compares thus very favourably with the unique experimental value (a ratio of ∼50) reported by Kim et al. [J. Am. Ceram. Soc. 76, 2486 (1993)] for a pure TeO2 glass. In addition, it is shown that the angular dependence of the phase modulation within the (a,b) plane can be fully understood in the light of the strong dextro-rotatory power known for TeO2 materials. Taking into account the optical activity, some analytical model serving to estimate the diagonal and non-diagonal components of the third order nonlinear susceptibility tensor has been thus developed. Finally, Re(χxxxx(3)) and Re(χxxyy(3)) values of 95.1×10−22  m2/V2 and 42.0×10−22 m2/V2, respectively, are then deduced for a paratellurite single crystal, considering fused silica as a reference.
Investigation of surface boundary conditions for continuum modeling of RF plasmas
Authors: Wilson A. , Shotorban B.
Published: May 2018

This work was motivated by a lacking general consensus in the exact form of the boundary conditions (BCs) required on the solid surfaces for the continuum modeling of Radiofrequency (RF) plasmas. Various kinds of number and energy density BCs on solid surfaces were surveyed, and how they interacted with the electric potential BC to affect the plasma was examined in two fundamental RF plasma reactor configurations. A second-order local mean energy approximation with equations governing the electron and ion number densities and the electron energy density was used to model the plasmas. Zero densities and various combinations of drift, diffusion, and thermal fluxes were considered to set up BCs. It was shown that the choice of BC can have a significant impact on the sheath and bulk plasma. The thermal and diffusion fluxes to the surface were found to be important. A pure drift BC for dielectric walls failed to produce a sheath.
Electron dynamics in high energy density plasma bunch generation driven by intense picosecond laser pulse
Authors: Li M. , Yuan T. , Xu Y. X. , Luo S. N.
Published: May 2018

When an intense picosecond laser pulse is loaded upon a dense plasma, a high energy density plasma bunch, including electron bunch and ion bunch, can be generated in the target. We simulate this process through one-dimensional particle-in-cell simulation and find that the electron bunch generation is mainly due to a local high energy density electron sphere originated in the plasma skin layer. Once generated the sphere rapidly expands to compress the surrounding electrons and induce high density electron layer, coupled with that, hot electrons are efficiently triggered in the local sphere and traveling in the whole target. Under the compressions of light pressure, forward-running and backward-running hot electrons, a high energy density electron bunch generates. The bunch energy density is as high as TJ/m3 order of magnitude in our conditions, which is significant in laser driven dynamic high pressure generation and may find applications in high energy density physics.
Solid harmonic wavelet scattering for predictions of molecule properties
Authors: Eickenberg Michael , Exarchakis Georgios , Hirn Matthew , Mallat Stéphane , Thiry Louis
Published: May 2018

We present a machine learning algorithm for the prediction of molecule properties inspired by ideas from density functional theory (DFT). Using Gaussian-type orbital functions, we create surrogate electronic densities of the molecule from which we compute invariant “solid harmonic scattering coefficients” that account for different types of interactions at different scales. Multilinear regressions of various physical properties of molecules are computed from these invariant coefficients. Numerical experiments show that these regressions have near state-of-the-art performance, even with relatively few training examples. Predictions over small sets of scattering coefficients can reach a DFT precision while being interpretable.
Local and global analysis of a speculative housing market with production lag
Authors: Campisi Giovanni , Naimzada Ahmad K. , Tramontana Fabio
Published: May 2018

We extend the model of Dieci and Westerhoff [J. Evol. Econ. 22(2), 303–329 (2012)], where the authors analyse a speculative housing market populated by heterogeneous interacting agents described by a two dimensional nonlinear discrete time dynamical system. They show the emergence of complicated dynamics through the occurrence of bifurcations for particular parameter combinations. We enlarge their model in several ways. On one hand, we introduce time lag in the supply side and we consider two new scenarios characterised by agents' expectations formation. First, naive expectations instead of perfect foresight are considered, while in the second scenario, we study a mix between the model of Dieci and Westerhoff [J. Evol. Econ. 22(2), 303–329 (2012)] and the one we propose. As a consequence, we, analytically and numerically, explain the appearance of instability in the housing market providing conditions on the parameters that lead to a bifurcation. On the other hand, thanks to further numerical simulations, we conduct a global analysis providing the structure of the basin of attractions of the map showing coexistence of attractors.
Ferromagnetism in two-dimensional hole-doped SnO
Authors: Houssa M. , Iordanidou K. , Pourtois G. , Afanas’ev V. V. , Stesmans A.
Published: May 2018

Hole-doped monolayer SnO has been recently predicted to be a ferromagnetic material, for a hole density typically above 5x1013/cm2. The possibility to induce a hole-doped stable ferromagnetic order in this two-dimensional material, either by intrinsic or extrinsic defects, is theoretically studied, using first-principles simulations. Sn vacancies and Sn vacancy-hydrogen complexes are predicted to be shallow acceptors, with relatively low formation energies in SnO monolayers grown under O-rich conditions. These defects produce spin-polarized gap states near the valence band-edge, potentially stabilizing the ferromagnetic order in 2D SnO. Hole-doping resulting from substitutional doping is also investigated. Among the considered possible dopants, As, substituting O, is predicted to produce shallow spin-polarized gap states near the valence band edge, also potentially resulting in a stable ferromagnetic order in SnO monolayers.
Design, analysis, and testing of a flexure-based vibration-assisted polishing device
Authors: Gu Yan , Zhou Yan , Lin Jieqiong , Lu Mingming , Zhang Chenglong , Chen Xiuyuan
Published: May 2018

A vibration-assisted polishing device (VAPD) composed of leaf-spring and right-circular flexure hinges is proposed with the aim of realizing vibration-assisted machining along elliptical trajectories. To design the structure, energy methods and the finite-element method are used to calculate the performance of the proposed VAPD. An improved bacterial foraging optimization algorithm is used to optimize the structural parameters. In addition, the performance of the VAPD is tested experimentally. The experimental results indicate that the maximum strokes of the two directional mechanisms operating along the Z1 and Z2 directions are 29.5 μm and 29.3 μm, respectively, and the maximum motion resolutions are 10.05 nm and 10.01 nm, respectively. The maximum working bandwidth is 1,879 Hz, and the device has a good step response.
A tunable sound-absorbing metamaterial based on coiled-up space
Authors: Wang Yang , Zhao Honggang , Yang Haibin , Zhong Jie , Zhao Dan , Lu Zhongliang , Wen Jihong
Published: May 2018

This paper presents a theoretical, numerical, and experimental investigation of a deep-subwavelength absorber based on the concept of coiled-up space. By adjusting a partition panel in the cavity to form an unequal-section channel, it is found that the resonance frequency of the absorber is easily tuned and near-total absorption is acquired under a fixed deep-subwavelength thickness. The absorption mechanism induced by nearly critical coupling is revealed by graphically analyzing the reflection coefficient in the complex plane. In contrast to conventional techniques, near-total absorption can be adjusted over a wider frequency range. To further enhance the absorption, we demonstrate a broadband absorber with a relative bandwidth up to 33.3%.
Design of a dual-band radiation system for a complex magnetically insulated line oscillator
Authors: Yu Yuanqiang , Wang Xiaoyu , Fan Yuwei , Li Ankun , Li Sirui
Published: May 2018

In this paper, a dual-band radiation system for a complex magnetically insulated line oscillator (MILO) is designed and investigated numerically. The radiation system comprises a coaxial plate-inserted mode converter, a power combiner and a conical horn antenna. The mode converter converts the coaxial TEM mode microwaves (1.775 GHz and 3.175 GHz) which are generated by the complex MILO into the coaxial TE11 mode microwaves, and then the coaxial TE11 mode microwaves are combined by the power combiner in a circular waveguide. Lastly, the microwaves are radiated by a conical horn antenna into the air. The gains of the dual-band radiation system are calculated to be 17.8 dB at 1.775 GHz and 18.9 dB at 3.175 GHz. The 3 dB beam widths are 20.5° in E-plane, 26.4° in H-plane at 1.775 GHz and 20.8° in E-plane, 15.1° in H-plane at 3.175 GHz. The power transmission efficiencies of the dual-band radiation system are 98.5% at 1.775 GHz and 95.7% at 3.175 GHz respectively. The power handling capacities of the dual-band radiation system are 4.2 GW at 1.775 GHz and 4.7 GW at 3.175 GHz, respectively.
Electrical properties study under radiation of the 3D-open-shell-electrode detector
Authors: Liu Manwen , Li Zheng
Published: May 2018

Since the 3D-Open-Shell-Electrode Detector (3DOSED) is proposed and the structure is optimized, it is important to study 3DOSED’s electrical properties to determine the detector’s working performance, especially in the heavy radiation environments, like the Large Hadron Collider (LHC) and it’s upgrade, the High Luminosity (HL-LHC) at CERN. In this work, full 3D technology computer-aided design (TCAD) simulations have been done on this novel silicon detector structure. Simulated detector properties include the electric field distribution, the electric potential distribution, current-voltage (I-V) characteristics, capacitance-voltage (C-V) characteristics, charge collection property, and full depletion voltage. Through the analysis of calculations and simulation results, we find that the 3DOSED’s electric field and potential distributions are very uniform, even in the tiny region near the shell openings with little perturbations. The novel detector fits the designing purpose of collecting charges generated by particle/light in a good fashion with a well defined funnel shape of electric potential distribution that makes these charges drifting towards the center collection electrode. Furthermore, by analyzing the I-V, C-V, charge collection property and full depletion voltage, we can expect that the novel detector will perform well, even in the heavy radiation environments.
Non-perturbative calculation of orbital and spin effects in molecules subject to non-uniform magnetic fields
Authors: Sen Sangita , Tellgren Erik I.
Published: May 2018

External non-uniform magnetic fields acting on molecules induce non-collinear spin densities and spin-symmetry breaking. This necessitates a general two-component Pauli spinor representation. In this paper, we report the implementation of a general Hartree-Fock method, without any spin constraints, for non-perturbative calculations with finite non-uniform fields. London atomic orbitals are used to ensure faster basis convergence as well as invariance under constant gauge shifts of the magnetic vector potential. The implementation has been applied to investigate the joint orbital and spin response to a field gradient—quantified through the anapole moments—of a set of small molecules. The relative contributions of orbital and spin-Zeeman interaction terms have been studied both theoretically and computationally. Spin effects are stronger and show a general paramagnetic behavior for closed shell molecules while orbital effects can have either direction. Basis set convergence and size effects of anapole susceptibility tensors have been reported. The relation of the mixed anapole susceptibility tensor to chirality is also demonstrated.