bluuebunny/crossref_metadata_2025 huggingface dataset:
The chaperonin CCT inhibits assembly of α-synuclein amyloid fibrils by a specific, conformation-dependent interaction
Authors: Sot Begoña , Rubio-Muñoz Alejandra , Leal-Quintero Ahudrey , Martínez-Sabando Javier , Marcilla Miguel , Roodveldt Cintia , Valpuesta José M.
Published: January 2017

The eukaryotic chaperonin CCT (chaperonin containing TCP-1) uses cavities built into its double-ring structure to encapsulate and to assist folding of a large subset of proteins. CCT can inhibit amyloid fibre assembly and toxicity of the polyQ extended mutant of huntingtin, the protein responsible for Huntington’s disease. This raises the possibility that CCT modulates other amyloidopathies, a still-unaddressed question. We show here that CCT inhibits amyloid fibre assembly of α-synuclein A53T, one of the mutants responsible for Parkinson’s disease. We evaluated fibrillation blockade in α-synuclein A53T deletion mutants and CCT interactions of full-length A53T in distinct oligomeric states to define an inhibition mechanism specific for α-synuclein. CCT interferes with fibre assembly by interaction of its CCTζ and CCTγ subunits with the A53T central hydrophobic region (NAC). This interaction is specific to NAC conformation, as it is produced once soluble α-synuclein A53T oligomers form and blocks the reaction before fibres begin to grow. Finally, we show that this association inhibits α-synuclein A53T oligomer toxicity in neuroblastoma cells. In summary, our results and those for huntingtin suggest that CCT is a general modulator of amyloidogenesis via a specific mechanism.
Improved Solar-Driven Photocatalytic Performance of Highly Crystalline Hydrogenated TiO2 Nanofibers with Core-Shell Structure
Authors: Wu Ming-Chung , Chen Ching-Hsiang , Huang Wei-Kang , Hsiao Kai-Chi , Lin Ting-Han , Chan Shun-Hsiang , Wu Po-Yeh , Lu Chun-Fu , Chang Yin-Hsuan , Lin Tz-Feng , Hsu Kai-Hsiang , Hsu Jen-Fu , Lee Kun-Mu , Shyue Jing-Jong , Kordás Krisztián , Su Wei-Fang
Published: January 2017

Hydrogenated titanium dioxide has attracted intensive research interests in pollutant removal applications due to its high photocatalytic activity. Herein, we demonstrate hydrogenated TiO2 nanofibers (H:TiO2 NFs) with a core-shell structure prepared by the hydrothermal synthesis and subsequent heat treatment in hydrogen flow. H:TiO2 NFs has excellent solar light absorption and photogenerated charge formation behavior as confirmed by optical absorbance, photo-Kelvin force probe microscopy and photoinduced charge carrier dynamics analyses. Photodegradation of various organic dyes such as methyl orange, rhodamine 6G and brilliant green is shown to take place with significantly higher rates on our novel catalyst than on pristine TiO2 nanofibers and commercial nanoparticle based photocatalytic materials, which is attributed to surface defects (oxygen vacancy and Ti3+ interstitial defect) on the hydrogen treated surface. We propose three properties/mechanisms responsible for the enhanced photocatalytic activity, which are: (1) improved absorbance allowing for increased exciton generation, (2) highly crystalline anatase TiO2 that promotes fast charge transport rate, and (3) decreased charge recombination caused by the nanoscopic Schottky junctions at the interface of pristine core and hydrogenated shell thus promoting long-life surface charges. The developed H:TiO2 NFs can be helpful for future high performance photocatalysts in environmental applications.
CoFe2O4@MIL-100(Fe) hybrid magnetic nanoparticles exhibit fast and selective adsorption of arsenic with high adsorption capacity
Authors: Yang Ji-Chun , Yin Xue-Bo
Published: January 2017

In this study, we report the synthesis and application of mesoporous CoFe2O4@MIL-100(Fe) hybrid magnetic nanoparticles (MNPs) for the simultaneous removal of inorganic arsenic (iAs). The hybrid adsorbent had a core-shell and mesoporous structure with an average diameter of 260 nm. The nanoscale size and mesoporous character impart a fast adsorption rate and high adsorption capacity for iAs. In total, 0.1 mg L−1 As(V) and As(III) could be adsorbed within 2 min, and the maximum adsorption capacities were 114.8 mg g−1 for As(V) and 143.6 mg g−1 for As(III), higher than most previously reported adsorbents. The anti-interference capacity for iAs adsorption was improved by the electrostatic repulsion and size exclusion effects of the MIL-100(Fe) shell, which also decreased the zero-charge point of the hybrid absorbent for a broad pH adsorption range. The adsorption mechanisms of iAs on the MNPs are proposed. An Fe-O-As structure was formed on CoFe2O4@MIL-100(Fe) through hydroxyl substitution with the deprotonated iAs species. Monolayer adsorption of As(V) was observed, while hydrogen bonding led to the multi-layer adsorption of neutral As(III) for its high adsorption capacity. The high efficiency and the excellent pH- and interference-tolerance capacities of CoFe2O4@MIL-100(Fe) allowed effective iAs removal from natural water samples, as validated with batch magnetic separation mode and a portable filtration strategy.
Electrolytic ammonia removal and current efficiency by a vermiculite-packed electrochemical reactor
Authors: Li Liang , Yao Ji , Fang Xueyou , Huang Yuanxing , Mu Yan
Published: January 2017

The ammonia removal as well as the current efficiency during electrolysis was investigated by using a vermiculite-packed electrochemical reactor under continuous mode. Experimental results showed that adsorption of ammonia by vermiculite and electrolytic desorption of ammonia simultaneously existed in the reactor, leading to 89% removal of initial 30 mg N/L ammonia and current efficiency of 25% under the condition of 2.0 A, 6.0 min hydraulic retention time with 300 mg Cl/L chloride as the catalyst. The ammonia removal capacity had a linear relationship with the products of hydraulic retention time, current and chloride concentration within experimental conditions. The treatment results of secondary effluent indicated that 29.9 mg N/L ammonia can be reduced to 4.6 mg N/L with 72% removal of total nitrogen and a current efficiency of 23%, which was 2% less than synthetic wastewater due to the reducing components in the real wastewater.
Kinetically controlled hierarchical self-assemblies of all-trans-retinoic acid on Au(111)
Authors: Li Chao , Li Na , Liu Liwei , Zhang Yajie , Yuan Chenyang , Peng Lianmao , Hou Shimin , Wang Yongfeng
Published: January 2017

The dominant molecular hierarchical superstructure can be selectively controlled to dimer, tetramer, or pentamer patterns.
Amino group enhanced phenazine derivatives as electrode materials for lithium storage
Authors: Tian Bingbing , Ding Zijing , Ning Guo-Hong , Tang Wei , Peng Chengxin , Liu Bo , Su Jie , Su Chenliang , Loh Kian Ping
Published: January 2017

Amino functional groups dramatically enhance the electrochemical performances of phenazine electrodes due to suppressed dissolution.
Facile synthesis of Ag@Au core–sheath nanowires with greatly improved stability against oxidation
Authors: Yang Miaoxin , Hood Zachary D. , Yang Xuan , Chi Miaofang , Xia Younan
Published: January 2017

Ag@Au core–sheath nanowires showed identical morphology and optical properties to Ag nanowires, but with improved stability against oxidation.
Unprecedented photochemical rearrangement of an open-cage C60 derivative
Authors: Futagoishi Tsukasa , Murata Michihisa , Wakamiya Atsushi , Murata Yasujiro
Published: January 2017

Under photochemical irradiation conditions, structural rearrangements of 17-mem C60 took place to give novel 14-mem C60 with a small opening.
Silver-catalyzed formal [3+2]-cycloaddition of α-trifluoromethylated methyl isocyanides: a facile stereoselective synthesis of CF3-substituted heterocycles
Authors: Zhang Xue , Wang Xin , Gao Yuelei , Xu Xianxiu
Published: January 2017

An Ag-catalyzed formal [3+2]-cycloaddition of α-trifluoromethylated methyl isocyanides with polar double bonds has been developed for the expeditious synthesis of trifluoromethylated oxazolines, imidazolines and pyrrolines under mild conditions.
Development of catalytic deacylative alkylations (DaA) of 3-acyl-2-oxindoles: total synthesis of meso-chimonanthine and related alkaloids
Authors: Kumar Nivesh , Das Mrinal Kanti , Ghosh Santanu , Bisai Alakesh
Published: January 2017

Pd(0)-Catalyzed deacylative allylation (DaA) of 2-oxindoles sharing acyl functionality at 3-position with allylic alcohols via retro-Claisen reaction has been reported.
A GSH-activatable ruthenium(ii)-azo photosensitizer for two-photon photodynamic therapy
Authors: Zeng Leli , Kuang Shi , Li Guanying , Jin Chengzhi , Ji Liangnian , Chao Hui
Published: January 2017

The first dinuclear ruthenium(ii)-azo complex was developed as a glutathione (GSH)-activatable photosensitizer for use in two-photon photodynamic therapy upon irradiation in the NIR region.
A computational study on how structure influences the optical properties in model crystal structures of amyloid fibrils
Authors: Grisanti Luca , Pinotsi Dorothea , Gebauer Ralph , Kaminski Schierle Gabriele S. , Hassanali Ali A.
Published: January 2017

Different types of hydrogen bonding interactions that occur in amyloids model systems and molecular factors that control the susceptibility of the protons to undergo proton transfer and how this couples to the optical properties.
Proposal of a new mechanism for the directional propagation of the action potential using a mimicking system
Authors: Takano Y. , Shirai O. , Kitazumi Y. , Kano K.
Published: January 2017

A nerve conduction model is constructed by using some liquid-membrane cells that mimic the function of the K+ and Na+ channels.
Adsorptive process design for the separation of hexane isomers using zeolites
Authors: Luna-Triguero A. , Gómez-Álvarez P. , Calero S.
Published: January 2017

Zeolite screening to design an adsorptive-based scheme yielding individual hexane isomers from the mixture by exploiting molecular diffusion and equilibrium adsorption.
A general approach to cobalt-based homobimetallic phosphide ultrathin nanosheets for highly efficient oxygen evolution in alkaline media
Authors: Xiao Xiaofen , He Chun-Ting , Zhao Shenlong , Li Jing , Lin Wensheng , Yuan Zhongke , Zhang Qiang , Wang Shuangyin , Dai Liming , Yu Dingshan
Published: January 2017

A general and effective approach was proposed to fabricate a new family of Co-based bimetallic phosphide ultrathin nanosheets for highly-efficient oxygen evolution.
Monolithically integrated, photo-rechargeable portable power sources based on miniaturized Si solar cells and printed solid-state lithium-ion batteries
Authors: Um Han-Don , Choi Keun-Ho , Hwang Inchan , Kim Se-Hee , Seo Kwanyong , Lee Sang-Young
Published: January 2017

A monolithically integrated, single-unit PV–LIB device shows exceptional electrochemical performance that lies far beyond those achievable by conventional PVs or LIBs alone.
Zinc sparks induce physiochemical changes in the egg zona pellucida that prevent polyspermy
Authors: Que Emily L. , Duncan Francesca E. , Bayer Amanda R. , Philips Steven J. , Roth Eric W. , Bleher Reiner , Gleber Sophie C. , Vogt Stefan , Woodruff Teresa K. , O’Halloran Thomas V.
Published: January 2017

Fertilization-induced zinc sparks modify the structure and function of the egg's zona pellucida, contributing to the block to polyspermy.
Aptamer-functionalized nano/micro-materials for clinical diagnosis: isolation, release and bioanalysis of circulating tumor cells
Authors: Zhao Yaju , Xu Danke , Tan Weihong
Published: January 2017

Aptamer-functionalized nano/micro-materials have enabled efficient cell-specific recognition, isolation, release and complete subsequent characterization for future clinical therapy guidance.
One-step micromolding of complex 3D microchambers for single-cell analysis
Authors: Suzuki Hiroaki , Mitsuno Kenta , Shiroguchi Katsuyuki , Tsugane Mamiko , Okano Taiji , Dohi Tetsuji , Tsuji Tomoaki
Published: January 2017

Herein we examined the extent of replicability of the PDMS microchamber device transferred from the master mold with complex 3D structures fabricated via micro stereolithography.
High-selectivity cytology via lab-on-a-disc western blotting of individual cells
Authors: Kim John J. , Sinkala Elly , Herr Amy E.
Published: January 2017

We demonstrate a lab-on-a-disc western blotting device that integrates cell handling and single-cell protein analysis of sparse (<200 cells) starting samples.
Solid support resins and affinity purification mass spectrometry
Authors: Havis Spencer , Moree Wilna J. , Mali Sujina , Bark Steven J.
Published: January 2017

Solid-support resins are critical components of AP-MS experiments, but their interactions with experimental conditions are underappreciated.
Synthesis, metal binding and spectral properties of novel bis-1,3-diketone calix[4]arenes
Authors: Podyachev Sergey N. , Sudakova Svetlana N. , Gimazetdinova Gulnaz Sh. , Shamsutdinova Nataliya A. , Syakaev Victor V. , Barsukova Tatjiana A. , Iki Nobuhiko , Lapaev Dmitry V. , Mustafina Asiya R.
Published: January 2017

Novel bis-1,3-diketone calix[4]arenes provide good antenna effects on Tb3+- and Yb3+-centered luminescence.
A red-NIR emissive probe for the selective detection of albumin in urine samples and live cells
Authors: Rajasekhar K. , Achar Chaithra J. , Govindaraju Thimmaiah
Published: January 2017

A red-NIR fluorescence probe (TG-SA) has been designed, synthesised and its utility is demonstrated for staining human serum albumin (HSA) in gel electrophoresis, quantification of HSA in clinical urine samples and monitoring serum albumin homeostasis in live cells.
Using a flexible bis(pyrazol) ligand to construct four new Keggin-based compounds: syntheses, structures and properties
Authors: Tian Aixiang , Ni Huaiping , Ji Xuebin , Tian Yan , Liu Guocheng , Ying Jun
Published: January 2017

Four new Keggin-based compounds were constructed. A discrete mono-supporting structure and a supramolecular chain were obtained. Compounds 3 and 4 were formed in one pot containing either bi-nuclear cycles and nested cycle subunits.
Synthesis of novel spiro-isoxazoline and spiro-isoxazolidine derivatives of tomentosin
Authors: Zaki Mohamed , Oukhrib Abdelouahd , Akssira Mohamed , Berteina-Raboin Sabine
Published: January 2017

A series of novel enantiomerically pure spiro-(isoxazolidines/isoxazolines) were synthesized regioselectively by 1,3-dipolar cycloaddition using nitrones and nitrile oxides, on the exocyclic double bond of tomentosin extracted fromDittrichia viscosa.
Preparation of highly porous carbon through activation of NH4Cl induced hydrothermal microsphere derivation of glucose
Authors: Zhang Chunyan , Lin Shuang , Peng Junjun , Hong Yanzhong , Wang Zhiyong , Jin Xianbo
Published: January 2017

The main difference of A-N-MSC and A-NSC.
Structural deformation phenomenon of synthesized poly(isosorbide-1,4-cyclohexanedicarboxylate) in hot water
Authors: Koo J. M. , Kim S. H. , Im S. S.
Published: January 2017

Water induced deformation phenomena of synthesized polyester including isosorbide shares analogous mechanism of solvent induced crystallization. This structural deformation is effected by pH, open-ring ISB and ester hydrolysis.
Electric field assisted growth and field emission properties of thermally oxidized CuO nanowires
Authors: Tang Chunmei , Liao Xinyue , Zhong Weijie , Yu Hongya , Liu Zhongwu
Published: January 2017

The growth and field emission properties of thermally oxidized CuO nanowires are influenced by the electric field intensity and direction.
Watasemycin biosynthesis in Streptomyces venezuelae: thiazoline C-methylation by a type B radical-SAM methylase homologue
Authors: Inahashi Yuki , Zhou Shanshan , Bibb Maureen J. , Song Lijiang , Al-Bassam Mahmoud M. , Bibb Mervyn J. , Challis Gregory L.
Published: January 2017

A type B radical-SAM methylase homologue catalyses thiazoline C-methylation as the final step of watasemycin biosynthesis in Streptomyces venezuelae ATCC10712.
Generalized-active-space pair-density functional theory: an efficient method to study large, strongly correlated, conjugated systems
Authors: Ghosh Soumen , Cramer Christopher J. , Truhlar Donald G. , Gagliardi Laura
Published: January 2017

Predicting ground- and excited-state properties of open-shell organic molecules by electronic structure theory can be challenging because an accurate treatment has to correctly describe both static and dynamic electron correlation.
Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions
Authors: Kossler D. , Cramer N.
Published: January 2017

A chiral version of the Cp*Ru(COD)Cl complex equipped with an atropchiral cyclopentadienyl (Cpx) ligand enables [2+2]-cycloadditions between bicyclic olefins and alkynes with excellent reactivity and enantioselectivity. A streamlined synthesis of the Cpx ligand by a C–H functionalisation approach is shown. The chloride counterion of the neutral CpxRuII complex is essential for enantioselectivity.
Visualization of drug delivery processes using AIEgens
Authors: Yuan Youyong , Liu Bin
Published: January 2017

We summarize the recent development of AIEgen based theranostic DDSs for the visualization of drug delivery processes.
Enantioselective [2 + 2] cycloaddition of N-allenamides with cyclic N-sulfonylketimines: access to polysubstituted azetidines bearing quaternary stereocenters
Authors: Liu Ren-Rong , Hu Jiang-Ping , Hong Jian-Jun , Lu Chuan-Jun , Gao Jian-Rong , Jia Yi-Xia
Published: January 2017

A Ni(ClO4)2-catalyzed enantioselective [2 + 2] cycloaddition of N-allenamides with cyclic N-sulfonylketimines was developed, which regioselectively occurred at the proximal CC bonds of the N-allenamides.
Two linkers are better than one: enhancing CO2 capture and separation with porous covalent triazine-based frameworks from mixed nitrile linkers
Authors: Dey Subarna , Bhunia Asamanjoy , Breitzke Hergen , Groszewicz Pedro B. , Buntkowsky Gerd , Janiak Christoph
Published: January 2017

By combining two different nitrile building blocks a synergistic increase in the CO2 uptake in the mixed-nitrile CTFs over the single-nitrile CTFs could be achieved.
Tuning the functional substituent group and guest of metal–organic frameworks in hybrid membranes for improved interface compatibility and proton conduction
Authors: Dong Xi-Yan , Li Jing-Juan , Han Zhen , Duan Pei-Gao , Li Lin-Ke , Zang Shuang-Quan
Published: January 2017

The improved interface compatibility and proton conduction of hybrid membranes of metal–organic frameworks (MOFs) and chitosan (CS) are obtained by tuning the functional sulfonic substituent group and guest acids of MOFs.
Surface functionalization of high free-volume polymers as a route to efficient hydrogen separation membranes
Authors: Ghalei Behnam , Kinoshita Yosuke , Wakimoto Kazuki , Sakurai Kento , Mathew Simon , Yue Youfeng , Kusuda Hiromu , Imahori Hiroshi , Sivaniah Easan
Published: January 2017

A controlled growth of nanometric defect-free polydopamine layers leads to its novel demonstration as a hydrogen selective material.
In situ construction of interconnected ion transfer channels in anion-exchange membranes for fuel cell application
Authors: Si Jiangju , Wang Haining , Lu Shanfu , Xu Xin , Peng Sikan , Xiang Yan
Published: January 2017

By modulating the amphiphilic architectures, 3D well-connected nano-channels are constructed and a trade-off between conductivity and stability in AEMs is achieved.
Accelerated formation and improved performance of CH3NH3PbI3-based perovskite solar cells via solvent coordination and anti-solvent extraction
Authors: Zhang Jitao , Zhai Guangmei , Gao Wenhui , Zhang Caifeng , Shao Zhimeng , Mei Fuhong , Zhang Jianbing , Yang Yongzhen , Liu Xuguang , Xu Bingshe
Published: January 2017

A new strategy to accelerate conversion of PbI2to perovskite and improve solar cell performanceviaa solvent coordination and anti-solvent extraction process.
Three-dimensional π-conjugated compounds as non-fullerene acceptors in organic photovoltaics: the influence of acceptor unit orientation at phase interfaces on photocurrent generation efficiency
Authors: Jinnai Seihou , Ie Yutaka , Kashimoto Yuki , Yoshida Hiroyuki , Karakawa Makoto , Aso Yoshio
Published: January 2017

We revealed the relationship between the London dispersion components of three-dimensional non-fullerene acceptors and photocurrent generation efficiency in bulk-heterojunction-type organic photovoltaics.
Tumor marker detection using surface enhanced Raman spectroscopy on 3D Au butterfly wings
Authors: Song Guofen , Zhou Han , Gu Jiajun , Liu Qinglei , Zhang Wang , Su Huilan , Su Yishi , Yao Qinghua , Zhang Di
Published: January 2017

Tumor markers are usually over-expressed in human body fluids during the development of cancers.
On demand rapid patterning of colored amorphous molybdenum oxide using a focused laser beam
Authors: Gong Lili , Haur Sow Chorng
Published: January 2017

We report a facile method to achieve rapid conversion and patterning of a carbon nanotube (CNT)–molybdenum sulfide (MoSx) hybrid powder into a blue material via a focused laser beam.
Cryogenic magnetocaloric effect in zircon-type RVO4 (R = Gd, Ho, Er, and Yb)
Authors: Dey Koushik , Indra Ankita , Majumdar Subham , Giri Saurav
Published: January 2017

The demagnetization (50 kOe) at liquid hydrogen temperature leads to decrease of temperature down to 3.5 K for GdVO4.
Transforming growth factor β suppresses peroxisome proliferator-activated receptor γ expression via both SMAD binding and novel TGF-β inhibitory elements
Authors: Lakshmi Sowmya P. , Reddy Aravind T. , Reddy Raju C.
Published: January 2017

Transforming growth factor β (TGF-β) contributes to wound healing and, when dysregulated, to pathological fibrosis. TGF-β and the anti-fibrotic nuclear hormone receptor peroxisome proliferator-activated receptor γ (PPARγ) repress each other's expression, and such PPARγ down-regulation is prominent in fibrosis and mediated, via previously unknown SMAD-signaling mechanisms. Here, we show that TGF-β induces the association of SMAD3 with both SMAD4, needed for translocation of the complex into the nucleus, and the essential context-sensitive co-repressors E2F4 and p107. The complex mediates TGF-β-induced repression by binding to regulatory elements in the target promoter. In the PPARG promoter, we found that the SMAD3–SMAD4 complex binds both to a previously unknown consensus TGF-β inhibitory element (TIE) and also to canonical SMAD-binding elements (SBEs). Furthermore, the TIE and SBEs independently mediated the partial repression of PPARG transcription, the first demonstration of a TIE and SBEs functioning within the same promoter. Also, TGF-β-treated fibroblasts contained SMAD complexes that activated a SMAD target gene in addition to those repressing PPARG transcription, the first finding of such dual activity within the same cell. These findings describe in detail novel mechanisms by which TGF-β represses PPARG transcription, thereby facilitating its own pro-fibrotic activity.
High transmittance cadmium oxysulfide Cd(S,O) buffer layer grown by triton X-100 mediated chemical bath deposition for thin-film heterojunction solar cells
Authors: Ballipinar Faruk , Rastogi A. C.
Published: January 2017

Polycrystalline 100–190 nm Cd(S,O) n-type semiconductor thin films of high transparency in the visible range are deposited by a surfactant Triton X-100 mediated chemical bath deposition process. The crystalline structure of the films revealed by X-ray diffraction data shows a cubic-CdO phase signified by (111) and (200) planes alongside the (002), (220), and (110) planes from hexagonal-CdS. The invariance of the 2θ position of the (002) CdS diffraction is interpreted in terms of the growth of the composite film essentially by the formation of a dilute interstitial alloy of CdO and CdS. This is confirmed by Raman spectra which, besides the CdS 1LO and 2LO modes at 300 and 600 cm−1, also show Raman lines from CdO at 1098 cm−1 and 952 cm−1 assigned as overtone of 2LO phonon modes and 556 cm−1 due to band crossing between LO and TO modes of CdO. Optical spectra of Cd(S,O) films show a median transmittance of >85% compared to ∼70% for CdS films in the 550–1000 nm wavelength range. The Cd(S,O) films show optical bandgap varying from 2.34 to 2.26 eV with increasing CdO fraction but retain high sub-bandgap transmission and sharp band edge threshold. The Cd(S,O) films thus offer an alternative to the CdS buffer layer in the heterojunction solar cells, which has major shortcoming of poor stability and high sub-bandgap absorption. The photoluminescence spectra of Cd(S,O) films show three green bands, of which one is the near band edge transition at 511.5 nm, the same as in CdS, the second band at 526.0 nm that red shifted from the CdS position is due to shallow donor-acceptor defects arising from structural change due to CdO, and the third band at 543.6 nm (2.28 eV) originates from direct band transition in CdO. The growth mechanism of Cd(S,O) films is described, which invokes that the Triton X-100 molecule modifies the microenvironment around adsorbed [Cd(NH3)4]2+ species, thereby inducing two concurrent reactions, one with SH− species that cause CdS formation and the other controlled Cd(OH)2 deprotonation reaction that forms CdO.
Coalescence-induced jumping of micro-droplets on heterogeneous superhydrophobic surfaces
Authors: Attarzadeh Reza , Dolatabadi Ali
Published: January 2017

The phenomenon of droplets coalescence-induced self-propelled jumping on homogeneous and heterogeneous superhydrophobic surfaces was numerically modeled using the volume of fluid method coupled with a dynamic contact angle model. The heterogeneity of the surface was directly modeled as a series of micro-patterned pillars. To resolve the influence of air around a droplet and between the pillars, extensive simulations were performed for different droplet sizes on a textured surface. Parallel computations with the OpenMP algorithm were used to accelerate computation speed to meet the convergence criteria. The composition of the air-solid surface underneath the droplet facilitated capturing the transition from a no-slip/no-penetration to a partial-slip with penetration as the contact line at triple point started moving to the air pockets. The wettability effect from the nanoscopic roughness and the coating was included in the model by using the intrinsic contact angle obtained from a previously published study. As the coalescence started, the radial velocity of the coalescing liquid bridge was partially reverted to the upward direction due to the counter-action of the surface. However, we found that the velocity varied with the size of the droplets. A part of the droplet kinetic energy was dissipated as the merged droplet started penetrating into the cavities. This was due to a different area in contact between the liquid and solid and, consequently, a higher viscous dissipation rate in the system. We showed that the effect of surface roughness is strongly significant when the size of the micro-droplet is comparable with the size of the roughness features. In addition, the relevance of droplet size to surface roughness (critical relative roughness) was numerically quantified. We also found that regardless of the viscous cutoff radius, as the relative roughness approached the value of 44, the direct inclusion of surface topography was crucial in the modeling of the droplet-surface interaction. Finally, we validated our model against existing experimental data in the literature, verifying the effect of relative roughness on the jumping velocity of a merged droplet.
Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen
Authors: Barral M. A. , Di Napoli S. , Blesio G. , Roura-Bas P. , Camjayi A. , Manuel L. O. , Aligia A. A.
Published: January 2017

Combining ab initio calculations and effective models derived from them, we discuss the electronic structure of oxygen doped gold chains when one Au atom is replaced by any transition-metal atom of the 3d series. The effect of O doping is to bring extended Au 5dxz and 5dyz states to the Fermi level, which together with the Au states of zero angular momentum projection leads to three possible channels for the screening of the magnetism of the impurity. For most 3d impurities the expected physics is similar to that of the underscreened Kondo model, with singular Fermi liquid behavior. For Fe and Co under a tetragonal crystal field introduced by leads, the system might display a non-Fermi liquid behavior. Ni and Cu impurities are described by a S = 1 two channel Kondo model and an SU(4) impurity Anderson model in the intermediate valence regime, respectively. In both cases, the system is a Fermi liquid, but the conductance shows some observable differences with the ordinary SU(2) Anderson model.
Mechanism of gas saturated oil viscosity anomaly near to phase transition point
Authors: Suleimanov Baghir A. , Abbasov Elkhan M. , Sisenbayeva Marziya R.
Published: January 2017

The article presents experimental studies of the phase behavior by the flash liberation test and of the viscosity of the live oil at different pressures. Unlike the typical studies at the pressure near the saturation pressure, the measurements were conducted at a relatively small pressure increment of 0.08-0.25 MPa. The viscosity anomaly was discovered experimentally near to the phase transition point in the range of the pressure levels P/Pb = 1-1.14 (Pb—bubble point pressure) and shows that it decreases about 70 times in comparison to the viscosity at the reservoir pressure. It was found that the bubble point pressure decreases significantly (up to 36%) with surfactant addition. Furthermore, the viscosity of the live oil at the surfactant concentration of 5 wt. % decreases almost 37 times in comparison to the viscosity at the reservoir pressure. The mechanism of observed effects was suggested based on the formation of the stable subcritical gas nuclei and associated slippage effect. The mechanism for the stabilization of the subcritical nuclei by the combined action of the surface and electrical forces, as well as the morphology of the formed nanobubbles, was considered. The model for determining the oil viscosity taking into account the slippage effect was suggested.
Yttrium passivation of defects in GeO2 and GeO2/Ge interfaces
Authors: Li Hongfei , Robertson John
Published: January 2017

Alloying amorphous GeO2 with Y2O3 has been found experimentally to improve its chemical stability and electrical reliability as a gate dielectric in Ge-based field effect transistors. The mechanism is explained here based on density functional calculations. The GeO2 reliability problem is correlated with oxygen deficiency defects, which generate gap states near the band-edges of the underlying Ge. These can be passivated through Y doping. This shifts the defect gap state out of the gap up into the GeO2 conduction band, thus effectively passivating gap states in the GeO2 layer.
Three dimensional investigation of the effect of MPL characteristics on water saturation in PEM fuel cells
Authors: Mahnama S. M. , Khayat M.
Published: January 2017

In this study, a three-dimensional and non-isothermal model of a polymer electrolyte membrane (PEM) fuel cell according to the multiphase mixture method was employed to analyze the influence of microporous layer (MPL) characteristics on water saturation and fuel cell performance. The modeled domain is divided into several regions comprising bipolar plate, gas channels, gas diffusion layers (GDLs), catalyst layers and polymer electrolyte membrane. A microporous layer has been sandwiched between the cathode GDL and the catalyst layer. In order to validate the model, the results were compared with the experimental data and a good agreement was observed. The results show that by placing the microporous layer between GDL and catalyst layer, a discontinuity appears in the liquid saturation and the species concentration at the contact surface of the layers. Therefore, the liquid water distribution in porous layers alongside the performance of the fuel cell largely depends on both structural and wetting properties of MPL. According to the results obtained, increasing the MPL porosity leads to decrease in the liquid water saturation, thereby improving the cell performance, while increasing the MPL thickness reduces the cell performance. Moreover, an MPL with a higher contact angle and gas permeability enhances the fuel cell performance due to the facilitation of water removal and reactant transport.
Reinvestigation of the thermal properties of single-crystalline SnSe
Authors: Ibrahim D. , Vaney J.-B. , Sassi S. , Candolfi C. , Ohorodniichuk V. , Levinsky P. , Semprimoschnig C. , Dauscher A. , Lenoir B.
Published: January 2017

The simple binary SnSe has been recently proposed as a prospective candidate for thermoelectric applications due to its exceptionally low lattice thermal conductivity. However, the thermal transport in single crystals was found to be significantly lower than in polycrystalline samples despite the presence of grain boundary scattering in the latter. In order to better understand the origin of this issue, we report here on a detailed characterization of the thermoelectric properties of a vertical-Bridgman-grown single-crystal of SnSe along the a, b, and c crystallographic axes in a wide range of temperatures (5–700 K). We find that the thermal conductivity features a pronounced Umklapp peak near 12 K whose magnitude depends on the crystal orientation. Unlike prior reports, our results evidence a significant anisotropy between the a, b, and c directions with lattice thermal conductivity values reaching 1.2, 2.3, and 1.7 W m−1 K−1 at 300 K, respectively. While the fundamental reasons behind these differences remain unclear, our results indicate that the intrinsic lattice thermal conductivity of single-crystalline SnSe is likely significantly higher than previously thought.
Comprehensive study on initial thermal oxidation of GaN(0001) surface and subsequent oxide growth in dry oxygen ambient
Authors: Yamada Takahiro , Ito Joyo , Asahara Ryohei , Watanabe Kenta , Nozaki Mikito , Nakazawa Satoshi , Anda Yoshiharu , Ishida Masahiro , Ueda Tetsuzo , Yoshigoe Akitaka , Hosoi Takuji , Shimura Takayoshi , Watanabe Heiji
Published: January 2017

Initial oxidation of gallium nitride (GaN) (0001) epilayers and subsequent growth of thermal oxides in dry oxygen ambient were investigated by means of x-ray photoelectron spectroscopy, spectroscopic ellipsometry, atomic force microscopy, and x-ray diffraction measurements. It was found that initial oxide formation tends to saturate at temperatures below 800 °C, whereas the selective growth of small oxide grains proceeds at dislocations in the epilayers, followed by noticeable grain growth, leading to a rough surface morphology at higher oxidation temperatures. This indicates that oxide growth and its morphology are crucially dependent on the defect density in the GaN epilayers. Structural characterizations also reveal that polycrystalline α- and β-phase Ga2O3 grains in an epitaxial relation with the GaN substrate are formed from the initial stage of the oxide growth. We propose a comprehensive model for GaN oxidation mediated by nitrogen removal and mass transport and discuss the model on the basis of experimental findings.
Absorption and reflectivity of the lithium niobate surface masked with a graphene layer
Authors: Salas O. , Garcés E. , Castillo F. L. , Magaña L. F.
Published: January 2017

We performed simulations of the interaction of a graphene layer with the surface of lithium niobate utilizing density functional theory and molecular dynamics at 300K and atmospheric pressure. We found that the graphene layer is physisorbed on the lithium niobate surface with an adsorption energy of -0.8205 eV/(carbon-atom). Subsequently, the energy band structure, the optical absorption and reflectivity of the new system were calculated. We found important changes in these physical properties with respect to the corresponding ones of a graphene layer and of a lithium niobate crystal.
Numerical simulation of ultrasonic wave transmission experiments in rocks of shale gas reservoirs
Authors: Chen Qiao , Yao Guanghua , Zhu Honglin , Tan Yanhu , Xu Fenglin
Published: January 2017

Shale gas reservoirs have risen in importance in China’s new power source exploration and development program. The investigation of the propagation of ultrasonic waves in shale forms the basis for the full waveform application of acoustic logging data to the exploration of shale gas. Using acoustic wave theory, initial conditions, vibration source conditions, and stability conditions are developed in combination with experimental background of ultrasonic wave transmission. With improved boundary conditions, we performed numerical simulations of the ultrasound transmission experiments in shale using the high-order staggered-grid finite difference method (second-order in the time domain and fourth-order in the space domain). With programs developed within MatLab, the results obtained from numerical simulations agree well with experimental results based on physical models. In addition, using snapshots of the wave field that give a microscopic perspective, the propagation laws for ultrasonic waves can be analyzed. Using this method, human error is avoided, transmission experiments costs can be reduced and efficiency improved. This method extends the scope of experimental investigations regarding the transmission of ultrasonic waves in a shale gas reservoir with increasing stratification, and thus has great theoretical value and practical significance.
Motor control by precisely timed spike patterns
Authors: Srivastava Kyle H. , Holmes Caroline M. , Vellema Michiel , Pack Andrea R. , Elemans Coen P. H. , Nemenman Ilya , Sober Samuel J.
Published: January 2017

Significance

A crucial problem in neuroscience is understanding how neural activity (sequences of action potentials or “spikes”) controls muscles, and hence motor behaviors. Traditional theories of brain function assume that information from the nervous system to the muscles is conveyed by the total number of spikes fired within a particular time interval. Here, we combine physiological, behavioral, and computational techniques to show that, at least in one relatively simple behavior—respiration in songbirds—the precise timing of spikes, rather than just their number, plays a crucial role in predicting and causally controlling behavior. These findings suggest that basic assumptions about neural motor control require revision and may have significant implications for designing neural prosthetics and brain–machine interfaces.
A Quantitative Chronology of Diurnal Feeding in Juvenile Pacific Salmon
Authors: Munsch Stuart H. , Cordell Jeffery R. , Toft Jason D.
Published: January 2017

Daily cycles in feeding intensity are common among fish and suggestive of ecological trade‐offs and constraints. However, feeding chronologies are typically estimated from diets rather than in situ observations. As a consequence, our understanding of daily feeding patterns is often imprecise, which limits our ability to infer connections between these patterns and their drivers. Here we quantify in unprecedented temporal resolution the real‐time diurnal feeding behavior of a fish assemblage. Snorkelers observed juvenile Pacific salmonOncorhynchusspp. in estuarine waters between dawn and early evening. Fish fed throughout the day, with intake declining after dawn, and individuals allocated about 20% of their time to feeding at sunrise, declining to about 5% in the early evening. Many factors potentially influenced this behavior, including predation avoidance, physiological constraints, prey availability, and mandates for growth and migration. Prey mass in the stomachs of these fish increased shortly after dawn, reaching relatively stable levels through the afternoon. Thus, diet metrics detected the presence of feeding but not temporal changes in feeding intensity. Diets appear to provide limited information on the timing and intensity of feeding, and we may therefore only vaguely understand daily feeding patterns of fish when examining diets alone.

Received June 17, 2016; accepted October 31, 2016 Published online January 19, 2017
Relay exchanges in elite short track speed skating
Authors: Hext Andrew , Heller Ben , Kelley John , Goodwill Simon
Published: January 2017

In short track speed skating, the relay exchange provides an additional strategic component to races by allowing a team to change the skater involved in the pack race. Typically executed every 1½ laps, it is the belief of skaters and coaches that during this period of the race, time can be gained or lost due to the execution of the relay exchange. As such, the aim of this study was to examine the influence of the relay exchange on a team's progression through a 5000 m relay race. Using data collected from three World Cup relay events during the 2012–2013 season, the time taken to complete the straight for the scenarios with and without the relay exchange were compared at different skating speeds for the corner exit prior to the straight. Overall, the influence of the relay exchange was found to be dependent on this corner exit speed. At slower corner exit speeds (12.01–13.5 m/s), relay exchange straight times were significantly faster than the free skating scenario (P < 0.01). While at faster corner exit speeds (14.01–15 m/s), straight times were significantly slower (P < 0.001). The findings of this study suggest that the current norm of executing relay exchanges every 1½ laps may not be optimal. Instead, varying the frequency of relay exchange execution throughout the race could allow: (1) time to be gained relative to other teams; and (2) facilitate other race strategies by providing an improved opportunity to overtake.
Using the self‐determination theory to understand Chinese adolescent leisure‐time physical activity
Authors: Wang Lijuan
Published: January 2017

Purposes: This study applies the self‐determination theory (SDT) to test the hypothesized relationships among perceived autonomy support from parents, physical education (PE) teachers, and peers, the fulfilment of psychological needs (i.e., autonomy, competence, and relatedness), autonomous motivation, and leisure‐time physical activity of Chinese adolescents. Method: There are 255 grade six to eight student participants from four middle schools around Shanghai, China included in this study. An accelerometer was used to measure the moderate‐to‐vigorous physical activity (MVPA). The participants completed the questionnaires regarding SDT variables. The structural equation modelling was applied to examine the hypothesized relationships among the study variables. Results: The model of hypothesized relationships demonstrated a good fit with the data [X2 = 20.84, df = 9, P = .01; CFI = 0.98; IFI = 0.98; SRMR = 0.04; RMSEA = 0.05]. The findings revealed that autonomy support from parents, PE teachers, and peers foster social conditions in which the three basic psychological needs can be met. In turn, autonomy, competence, and relatedness are positively associated with autonomous motivation for MVPA. The autonomous motivation positively relates to the MVPA time of adolescents. The three psychological needs partially mediate the influence of autonomy support from parents (β = 0.18, P < .01; Bootstrap 95% CI = 0.06–0.33) and teachers (β = 0.17, P < .01; Bootstrap 95% CI = 0.03–0.26) in the autonomous motivation. Conclusion: In conclusion, these findings support the applicability of SDT in understanding and promoting physical activity of Chinese adolescents.
Relation between arterial stiffness and aerobic capacity: Importance of proximal aortic stiffness
Authors: Tomoto Tsubasa , Maeda Seiji , Sugawara Jun
Published: January 2017

Brachial‐ankle pulse wave velocity (baPWV) has become a popular modality of arterial stiffness measurement. However, its projected arterial segment does not include the proximal aorta which plays important roles for attenuating cardiac pulsation and reducing afterload. We hypothesised that aerobic capacity would be more strongly associated with PWV including the proximal aorta than that omitting the proximal aorta. To test our hypothesis, we compared the association between aerobic capacity and arterial stiffness parameters omitting vs. including the proximal aorta (i.e. baPWV vs. heart‐ankle PWV [haPWV]) in 82 apparently healthy men (18–64 years). Estimated VO2max significantly correlated with baPWV (r = −0.394, P < .001), and more strongly with haPWV (r = −0.546, P < .001). The forward stepwise multi‐regression analysis revealed that haPWV (β = −0.335), as well as age, heart rate, and body mass index (β = −0.280 to −0.297), was a significant independent determinant explaining variance of estimated VO2max. These results suggest that aerobic capacity is influenced more strongly by the proximal aortic stiffness than distal aortic stiffness.
Influence of cold‐water immersion on limb blood flow after resistance exercise
Authors: Mawhinney Chris , Jones Helen , Low David A. , Green Daniel J. , Howatson Glyn , Gregson Warren
Published: January 2017

This study determined the influence of cold (8°C) and cool (22°C) water immersion on lower limb and cutaneous blood flow following resistance exercise. Twelve males completed 4 sets of 10‐repetition maximum squat exercise and were then immersed, semi‐reclined, into 8°C or 22°C water for 10‐min, or rested in a seated position (control) in a randomized order on different days. Rectal and thigh skin temperature, muscle temperature, thigh and calf skin blood flow and superficial femoral artery blood flow were measured before and after immersion. Indices of vascular conductance were calculated (flux and blood flow/mean arterial pressure). The colder water reduced thigh skin temperature and deep muscle temperature to the greatest extent (P < .001). Reductions in rectal temperature were similar (0.2–0.4°C) in all three trials (P = .69). Femoral artery conductance was similar after immersion in both cooling conditions, with both conditions significantly lower (55%) than the control post‐immersion (P < .01). Similarly, there was greater thigh and calf cutaneous vasoconstriction (40–50%) after immersion in both cooling conditions, relative to the control (P < .01), with no difference between cooling conditions. These findings suggest that cold and cool water similarly reduce femoral artery and cutaneous blood flow responses but not muscle temperature following resistance exercise.
Alberto Kornblihtt: Coupling alternative splicing with transcription
Authors: Casadio Melina
Published: January 2017

Kornblihtt studies how gene expression is controlled in mammals and plants.
“How Does He Get His Magic?”
Authors: Rocha Cristina
Published: January 2017

This chapter investigates John of God’s healing practices and beliefs and their place in the Brazilian religious arena. The author argues that they derive from a hybrid set of beliefs from popular Catholicism, Kardecist Spiritism, and Umbanda (a Brazilian religion that itself blends Catholicism, Kardecist Spiritism, and African and Amerindian religions). The chapter explains the arrival and dissemination of French Kardecist Spiritism in Brazil, and then explores Kardecist Spiritism’s concepts of illness and healing, which are used to explain healings (and also their absence) at Casa de Dom Inácio, John of God’s “spiritual hospital.” Subsequently, it addresses Kardecist Spiritism’s historical relationship with Umbanda, the Catholic Church, and biomedicine in Brazil, and the ways in which the law has persecuted psychic healers, including John of God. Finally, it examines John of God’s charismatic authority and his hybrid religious practices.