bluuebunny/crossref_metadata_2025 huggingface dataset:
{Ge9[Si(SiMe3)3]2}2−: a starting point for mixed substituted metalloid germanium clusters
Authors: Kysliak O. , Schnepf A.
Published: January 2016

The reaction of K4Ge9 with two equivalents of ClHyp (Hyp = Si(SiMe3)3) gives the metalloid cluster compound [Ge9(Hyp)2]2− opening the way to mixed substituted Ge9 clusters like [Ge9(Hyp)2(HypPh3)]− (HypPh3 = Si(SiMe3)2(SiPh3)) for future investigations.
Photolytic properties of cobalamins: a theoretical perspective
Authors: Kozlowski Pawel M. , Garabato Brady D. , Lodowski Piotr , Jaworska Maria
Published: January 2016

This Perspective Article highlights recent theoretical developments, and summarizes the current understanding of the photolytic properties of cobalamins from a computational point of view.
Preorganized tridentate analogues of mixed hydroxyoxime/carboxylate nickel extractants
Authors: Roebuck James W. , Turkington Jennifer R. , Rogers David M. , Bailey Philip J. , Griffin Violina , Fischmann Adam J. , Nichol Gary S. , Pelser Max , Parsons Simon , Tasker Peter A.
Published: January 2016

Simple tridentate ligands can operate as Ni-extractants in the pH-dependent process: 2LHorg + NiSO4 ⇌ [(L)2Ni]org + H2SO4.
Photo-activated CO-releasing molecules (PhotoCORMs) of robust sawhorse scaffolds [μ2-OOCR1, η1-NH2CHR2(CO] OCH3, Ru(i)2CO4]
Authors: Yang Shuhong , Chen Mengjiao , Zhou Lingling , Zhang Guofang , Gao Ziwei , Zhang Weiqiang
Published: January 2016

Using naturally abundant small organics and a low toxicity transition metal, stable sawhorse-type Ru2(CO)4complexes were synthesized, characterized and validated as lead structures for photo-activated CO-releasing molecules (Photo CORMs).
“Wiring” redox-active polyoxometalates to carbon nanotubes using a sonication-driven periodic functionalization strategy
Authors: Hu Jun , Ji Yuanchun , Chen Wei , Streb Carsten , Song Yu-Fei
Published: January 2016

A universal one-step strategy for the periodic deposition of redox-active polyoxometalate nanocrystals on single-walled carbon nanotubes is reported, giving access to high-performance electrodes for lithium-ion batteries.
Facet-controlled hollow Rh2S3 hexagonal nanoprisms as highly active and structurally robust catalysts toward hydrogen evolution reaction
Authors: Yoon Donghwan , Seo Bora , Lee Jaeyoung , Nam Kyoung Sik , Kim Byeongyoon , Park Suhyun , Baik Hionsuck , Hoon Joo Sang , Lee Kwangyeol
Published: January 2016

Hollow Rh2S3 hexagonal nanoprisms, prepared by one-step formation of core–shell nanoprisms followed by the etching of a core, exhibit very high catalytic activity and excellent stability toward hydrogen evolution reaction.
High-performance polymer solar cells based on a 2D-conjugated polymer with an alkylthio side-chain
Authors: Cui Chaohua , He Zhicai , Wu Yue , Cheng Xiao , Wu Hongbin , Li Yongfang , Cao Yong , Wong Wai-Yeung
Published: January 2016

The inverted-structured PSC based onPBDTT-S-TT-CFexhibited a high PCE of 9.58% with a remarkably highVocof 0.89 V.
A liter-scale microbial capacitive deionization system for the treatment of shale gas wastewater
Authors: Forrestal Casey , Haeger Alexander , Dankovich IV Louis , Cath Tzahi Y. , Ren Zhiyong Jason
Published: January 2016

A liter-scale system showed real world potential for energy positive wastewater treatment and desalination.
Mining catalytic promiscuity from Thermophilic archaea: an acyl-peptide releasing enzyme from Sulfolobus tokodaii (ST0779) for nitroaldol reactions
Authors: Yu Xiaoxiao , Pérez Bianca , Zhang Zhefei , Gao Renjun , Guo Zheng
Published: January 2016

An acyl-peptide releasing enzyme cloned fromSulfolobus tokodaii(ST0779) (a thermophile) displays superior catalytic efficiencykcat/Kmfor Henry reaction and excellent enantioselectivity ee% (90–99%).
Direct synthesis of 2,5-diformylfuran from fructose with graphene oxide as a bifunctional and metal-free catalyst
Authors: Lv Guangqiang , Wang Hongliang , Yang Yongxing , Deng Tiansheng , Chen Chengmeng , Zhu Yulei , Hou Xianglin
Published: January 2016

Graphene oxide, a metal-free carbon based material, was demonstrated to be an efficient and recyclable bifunctional catalyst in the direct synthesis of DFF from fructose.
Heterogeneous catalytic oxidation for lignin valorization into valuable chemicals: what results? What limitations? What trends?
Authors: Behling R. , Valange S. , Chatel G.
Published: January 2016

This is a critical review on lignin valorization through oxidation reactions focusing on innovative approaches involving heterogeneous catalysis and unconventional activation methods and solvents.
Mechanism, kinetics, and antimicrobial activities of 2-hydroxy-1-naphthaldehyde semicarbazone as a new Jack bean urease inhibitor
Authors: Jiang Xue-Yue , Sheng Liang-Quan , Song Chong-Fu , Du Na-Na , Xu Hua-Jie , Liu Zhao-Di , Chen Shui-Sheng
Published: January 2016

A new inhibitor of jack bean urease, 2-hydroxy-1-naphthaldehyde semicarbazone, was synthesized and employed to investigate the inhibitory mechanism of HNDSC on jack bean urease by kinetic and fluorescence titration assay, and its antibacterial activities were also investigated.
SAPO-34 templated by dipropylamine and diisopropylamine: synthesis and catalytic performance in the methanol to olefin (MTO) reaction
Authors: Fan Dong , Tian Peng , Xu Shutao , Wang Dehua , Yang Yue , Li Jinzhe , Wang Quanyi , Yang Miao , Liu Zhongmin
Published: January 2016

This paper describes a detailed investigation on SAPO-34 synthesis templated by isomeric amines and the catalytic performances in the MTO reaction.
Magnetic response of hybrid ferromagnetic and antiferromagnetic core–shell nanostructures
Authors: Khan U. , Li W. J. , Adeela N. , Irfan M. , Javed K. , Wan C. H. , Riaz S. , Han X. F.
Published: January 2016

The synthesis of FeTiO3–Ni(Ni80Fe20) core–shell nanostructures by a two-step method (sol–gel and DC electrodeposition) has been demonstrated.
Quantitatively analyzing the mechanism of giant circular dichroism in extrinsic plasmonic chiral nanostructures by tracking the interplay of electric and magnetic dipoles
Authors: Hu Li , Tian Xiaorui , Huang Yingzhou , Fang Liang , Fang Yurui
Published: January 2016

We quantitatively analyzed the extrinsic plasmonic chirality by tracking the interplay of electric and magnetic modes which causes mixed electric and magnetic polarizability and responses for the CD.
Design, synthesis, and duplex-stabilizing properties of conformationally constrained tricyclic analogues of LNA
Authors: Giacometti Robert D. , Salinas Juan C. , Østergaard Michael E. , Swayze Eric E. , Seth Punit P. , Hanessian Stephen
Published: January 2016

The design, synthesis and biophysical evaluation of two highly-constrained tricyclic analogues of locked nucleic acid (LNA), which restrict rotation around torsion angleγare reported.
Catalyst and solvent-free alkylation of quinoline N-oxides with olefins: A direct access to quinoline-substituted α-hydroxy carboxylic derivatives
Authors: Kumar Rakesh , Kumar Inder , Sharma Ritika , Sharma Upendra
Published: January 2016

A catalyst/solvent-free, one-pot and operationally simple method for the synthesis of quinoline-substituted α-hydroxy carboxylic derivatives by the hydroxyheteroarylation of olefins with quinoline N-oxides is reported.
A photo-induced C–C bond formation methodology to construct tetrahydrofluorenones and their related structures
Authors: Cai Shujun , Xiao Zheming , Ou Jinjie , Shi Yingbo , Gao Shuanhu
Published: January 2016

A metal-free, photo-induced C–C bond formation methodology was developed to construct tetrahydrofluorenones and their related structures.
Nickel catalyzed reduction of arenols under mild conditions
Authors: Shi Wen-Juan , Li Xiao-Lei , Li Zhao-Wei , Shi Zhang-Jie
Published: January 2016

The mild Ni-catalyzed reduction of arenols features a broad substrate scope, non-sensitivity to steric hindrance and no over-reduction of the aryl ring.
Efficient phosphorescent polymer light-emitting devices using a conjugated starburst macromolecule as a cathode interlayer
Authors: Zhang Xin-Wen , Lei Zhen-Feng , Chen Yue-Hua , Chen Ke-Yu , Xu Wei-Dong , Hao Lin , Fan Qu-Li , Lai Wen-Yong , Huang Wei
Published: January 2016

Highly efficient multilayered phosphorescent polymer light-emitting devices using conjugated starburst macromolecule TrOH as the cathode interlayer were demonstrated.
The synthesis of 3D InN architectures via chemical vapor deposition and their optical properties
Authors: Dong Yunxuan , Tang Shunxi , Cui Hang , Zhang Jian , Cui Qiliang
Published: January 2016

Two types of 3D InN microstructures were prepared via different self-organization processes in the up- and downstream regions of the Si substrate.
A new functionalized magnetic nanocomposite of poly(methylacrylate) for the efficient removal of anionic dyes from aqueous media
Authors: Pourjavadi Ali , Abedin-Moghanaki Azardokht , Nasseri Seyed Amirhossein
Published: January 2016

A magnetic nano-adsorbent was synthesized via the radical polymerization of methyl acrylate on modified Fe3O4 MNPs, followed by amidation of the methyl ester groups using pentaethylenehexamine, to create active sites for adsorption of anionic dyes.
In situ growth of graphitic carbon nitride films on transparent conducting substrates via a solvothermal route for photoelectrochemical performance
Authors: Xie Xinxiang , Fan Xiaoli , Huang Xianli , Wang Tao , He Jianping
Published: January 2016

Graphitic carbon nitride films werein situgrownviasolvothermal route with significantly improved photoelectrochemical performance.
Monoclinic Li3V2(PO4)3/C nanocrystals co-modified with graphene nanosheets and carbon nanotubes as a three-dimensional-network cathode material for rechargeable lithium-ion batteries
Authors: Cui Kai , Li Yongkui
Published: January 2016

A graphene nanosheet and carbon nanotube co-modified Li3V2(PO4)3/C composite has been first prepared via a hydrothermal-assisted sol–gel method.
Fabrication and characterization of PCL/CaCO3 electrospun composite membrane for bone repair
Authors: Cao Zhinan , Wang Dandan , Lyu Lingwei , Gong Yihong , Li Yan
Published: January 2016

CaCO3/casein microspheres were entrapped in PCL membranes using electrospinning to mimic the hierarchical structure of ECM in bone. The composite membranes showed enhanced biomineralization property, proliferation and osteogenic differentiation potential of HMSCs.
Development of an eco-friendly immunochromatographic test strip and its application in detecting Hg2+ without chelators
Authors: Wang Suyan , Wang Limin , Chen Hongfu , Wang Yulong , Cai Jia , Yang Mingming , Liu Fengquan
Published: January 2016

The schematic diagram of an eco-friendly immunochromatographic test strip (EFITS) and a competitive immunoreaction on the EFITS.
Improving photoelectrochemical performance of highly-ordered TiO2 nanotube arrays with cosensitization of PbS and CdS quantum dots
Authors: Zhang Xiaojiao , Zeng Min , Zhang Jiawei , Song Aimin , Lin Shiwei
Published: January 2016

PbS and CdS quantum dots (QDs) were deposited on TiO2 nanotube arrays (TNTAs) by a sonication-assisted successive ionic layer adsorption and reaction (S-SILAR) method.
Anti-Malassezia furfur activity of natural surfactant mediated in situ silver nanoparticles for a better antidandruff shampoo formulation
Authors: Rao K. Jagajjanani , Paria Santanu
Published: January 2016

Anin situone pot synthesis of Ag nanoparticles in aqueousAcaciaplant-surfactant media can be useful as a good anti-dandruff shampoo.
β-Phosphorus hyperfine coupling constant in nitroxides: 5. Solvent effect
Authors: Audran Gérard , Bosco Lionel , Brémond Paul , Butscher Teddy , Franconi Jean-Michel , Kabitaev Kuanysh , Marque Sylvain R. A. , Mellet Philippe , Parzy Elodie , Santelli Maurice , Thiaudière Eric , Viel Stéphane
Published: January 2016

aNandaPof β-phosphorylated 5-membered ring nitroxides are sensitive to the polarity/polarisability π*, the structuredness of the solventc, and to the hydrogen bond donatingαproperties of the solvent.
Non-covalent modification of graphene oxide nanocomposites with chitosan/dextran and its application in drug delivery
Authors: Xie Meng , Lei Hailin , Zhang Yufeng , Xu Yuanguo , Shen Song , Ge Yanru , Li Huaming , Xie Jimin
Published: January 2016

Graphene oxide nanosheets non-covalent functionalized with chitosan/dextran was successfully developed via LbL self-assembly technique for anti-cancer drug delivery application.
Effect of nano structures on the nucleus wetting modes during water vapour condensation: from individual groove to nano-array surface
Authors: Xu W. , Lan Z. , Peng B. L. , Wen R. F. , Ma X. H.
Published: January 2016

The geometrical structures of surfaces are important to the formation and growth of nuclei during water vapour condensation. Nucleus wetting modes on grooved surfaces are determined by the intrinsic contact angle and the cross sectional angle.
Biodegradable multi-blocked polyurethane micelles for intracellular drug delivery: the effect of disulfide location on the drug release profile
Authors: Yao Yongchao , Xu He , Liu Chang , Guan Yayuan , Xu Deqiu , Zhang Jiya , Su Yuling , Zhao Lili , Luo Jianbin
Published: January 2016

Polyurethane micelles with disulfide bonds positioned mainly either at the hydrophobic PCL junctions (PU-SS-C) or at the connections between the hydrophilic PEG and hydrophobic PCL blocks (PU-SS-I) were developed as a antitumor drug carriers.
Microdomain orientation control of PS-b-PMMA films enabled by wettability relay of graphene
Authors: Wu Mei-Ling , Wang Dong
Published: January 2016

A substrate-independent method to control the orientation of PS-b-PMMA film is presented by utilizing monolayer graphene coated PS-r-PMMA copolymer layer.
Capillary filling dynamics of polymer melts in nanopores: experiments and rheological modelling
Authors: Cao Bing-Yang , Yang Min , Hu Guo-Jie
Published: January 2016

The spontaneous capillarity-driven flow behaviors of PE melts through AAO nanopores suggest that the zero-shear-rate viscosity of the PE melts decreases, which can be predicted by a modified Lucas–Washburn law considering the polymer rheological model.
Synthesis, crystal structure and photoluminescence properties of Eu2+-activated RbCaGd(PO4)2 phosphors
Authors: Chen Xue , Wang Qidi , Lv Fengzhu , Chu Paul K. , Zhang Yihe
Published: January 2016

RbCaGd(PO4)2:Eu2+ was prepared by the Pechini-type sol–gel method. The crystal structure was determined in the first time. The dipole–dipole interaction plays a major role in the mechanism of concentration quenching of Eu2+ in this phosphor.
Graphene oxide enhanced specificity at aptamer and its application to multiplexed enzymatic activity sensing
Authors: Xing Xiaojing , Liu Xueguo , Zhou Ying , Xu Dangdang , Pang Daiwen , Tang Hongwu
Published: January 2016

Based on the finding that sufficient GO could enhance the specificity of an ATP aptamer, we proposed a fluorescence assay for alkaline phosphatase and creatine kinase.
Study on the preparation of PAM/MMT W/W emulsion and its application as a flocculant
Authors: Qiu Jinghong , Wang Hui , Dong Shihua , Wang Haibo , Cheng Xu , Du Zongliang
Published: January 2016

OMMT was first prepared by intercalation of AM into MMT, then the OMMT was added into the dispersion polymerization system of polyacrylamide/montmorillonite water in water (WPAMt) emulsion and gelatin was used as the stabilizer.
Synthesis and phosphatase inhibitory activity of 3-alkynylestrones and their derivatives
Authors: Ivanov Anton , Boldt Sebastian , Nisa Zaib un , Ali Shah Syed Jawad , Ehlers Peter , Villinger Alexander , Schneider Gyula , Wölfling János , Rahman Qamar , Iqbal Jamshed , Langer Peter
Published: January 2016

A range of 3-alkynylated 3-deoxy-estrones were prepared by Sonogashira reactions and transformed into estrone derived diones and quinoxalines.
Clickable trimethylguanosine cap analogs modified within the triphosphate bridge: synthesis, conjugation to RNA and susceptibility to degradation
Authors: Wojtczak Blazej A. , Warminski Marcin , Kowalska Joanna , Lukaszewicz Maciej , Honcharenko Malgorzata , Smith C. I. Edvard , Strömberg Roger , Darzynkiewicz Edward , Jemielity Jacek
Published: January 2016

Phosphate-modified m3G cap analogs were synthesized, conjugated to RNA using “click chemistry”, and studied for susceptibility to hNUDT16 enzyme.
Interband-transition-modified third-order nonlinear optical properties of Al nanoshells in carbon disulfide
Authors: Jia Guangyi , Guo Chungang
Published: January 2016

Al nanoshell geometry and the defined parameters used for simulations of linear and nonlinear optical properties.
Electrocoagulation by solar energy feed for textile wastewater treatment including mechanism and hydrogen production using a novel reactor design with a rotating anode
Authors: Naje Ahmed Samir , Chelliapan Shreeshivadasan , Zakaria Zuriati , Ajeel Mohammed A. , Sopian Kamaruzzaman , Hasan Husam Abdulrasool
Published: January 2016

This paper describes the treatment of textile wastewater using a unique design of an electrocoagulation (EC) reactor with a rotating anode.
Vesicle formation of catanionic mixtures of CTAC/SDS induced by ratio: a coarse-grained molecular dynamic simulation study
Authors: Wang Pan , Ma Yunyun , Liu Zhibin , Yan Youguo , Sun Xiaoli , Zhang Jun
Published: January 2016

A vesicle was formed by disk-like bilayer curling.
In vivo mapping and assay of matrix metalloproteases for liver tumor diagnosis
Authors: Chen Yu-Feng , Hong Jin , Wu Dong-Yan , Zhou Ying-Ying , D'Ortenzio Mathew , Ding Ya , Xia Xing-Hua
Published: January 2016

A fluorescent probe constructed by simultaneous modification of FITC-grafted peptide and thiolated mPEG on the surface of gold nanoparticles forin vivomapping and assay of matrix metalloproteases.
Physiochemical, optical and mechanical properties of poly(lactic acid) nanocomposites filled with toluene diisocyanate grafted cellulose nanocrystals
Authors: Gwon Jae-Gyoung , Cho Hye-Jung , Chun Sang-Jin , Lee Soo , Wu Qinglin , Lee Sun-Young
Published: January 2016

Although cellulose nanocrystals (CNCs) have been highlighted as a potential nano-reinforcement in polymer composites, the hydrophilic surface nature of CNCs limits their usage in the composite area due to the poor dispersibility of the CNCs in nonpolar solvent systems.
Heteroatom-connected ferrocenyl substituted naphthalimides
Authors: Reddy T. Sheshashena , Maragani Ramesh , Dhokale Bhausaheb , Mobin Shaikh M. , Misra Rajneesh
Published: January 2016

A family of heteroatom (oxygen, sulphur and nitrogen) connected ferrocenyl naphthalimides 3a–3f were designed and synthesized by the nucleophilic aromatic substitution and Buchwald coupling reactions.
Electronic binding energy relaxation of Sc clusters by monatomic alloying: DFT-BOLS approximation
Authors: Bo Maolin , Guo Yongling , Liu Yonghui , Wang Yan , Sun Chang Q. , Huang Yongli
Published: January 2016

Monatomic alloying of atomic clusters emerges as a promising means for efficient catalyst development with a yet unclear mechanism.
Copper doped EuMnO3: synthesis, structure and magnetic properties
Authors: Yang A. M. , Sheng Y. H. , Farid M. A. , Zhang H. , Lin X. H. , Li G. B. , Liu L. J. , Liao F. H. , Lin J. H.
Published: January 2016

Solid solution EuMn1−xCuxO3−δ(0 ≤x≤ 0.316) crystallizes in the space groupPnmaand shows magnetic transitions from about 52 to 20 K.
Alkali-modified non-precious metal 3D-NiCo2O4 nanosheets for efficient formaldehyde oxidation at low temperature
Authors: Huang Yongchao , Fan Wenjie , Long Bei , Li Haibo , Qiu Weitao , Zhao Fengyi , Tong Yexiang , Ji Hongbing
Published: January 2016

We developed new, low-cost and high-performance alkali-promoted 3D-NiCo2O4 nanosheets for efficient catalytic HCHO oxidation at low temperature.
A resource efficient design strategy to optimise the temperature coefficient of capacitance of BaTiO3-based ceramics using finite element modelling
Authors: Dean J. S. , Foeller P. Y. , Reaney I. M. , Sinclair D. C.
Published: January 2016

A finite element modelling - experimental approach as a new resource efficient design strategy to improve the temperature stability of BaTiO3 (BT)-based ceramic materials for MLCCs. Illustrated using rare earth-free NaNbO3-doped BT and found to decrease the magnitude of the TCC.
Efficient bifacial dye-sensitized solar cells through disorder by design
Authors: Miranda-Muñoz José M. , Carretero-Palacios Sol , Jiménez-Solano Alberto , Li Yuelong , Lozano Gabriel , Míguez Hernán
Published: January 2016

Herein we realize an optical design that optimizes the performance of bifacial solar cells by incorporating spherical TiO2 nanoparticles of controlled size and load integrated in the working electrodes of dye-sensitized solar cells without modifying any of the usually employed components.
Surface cavities of Ni(OH)2 nanowires can host Au nanoparticles as supported catalysts with high catalytic activity and stability
Authors: Han Na , Cao Shiyi , Han Jie , Hu Yimin , Zhang Xiaohong , Guo Rong
Published: January 2016

Mesoporous Ni(OH)2 nanowires with surface cavities have been chosen as multifunctional supports for Au nanoparticles with remarkably improved catalytic performances.
Size-dependent piezoelectric and mechanical properties of electrospun P(VDF-TrFE) nanofibers for enhanced energy harvesting
Authors: Ico Gerardo , Showalter Adam , Bosze Wayne , Gott Shannon C. , Kim Bum Sung , Rao Masaru P. , Myung Nosang V. , Nam Jin
Published: January 2016

Dimensional reduction of electrospun P(VDF-TrFE) increases crystallinity (DOC), electroactive phase content (EA), Young’s modulus (E) and piezoelectric coefficient (d33), collectively leading to enhanced piezoelectric energy harvesting efficiency.
Ratiometric mechanosensitive fluorescent dyes: design and applications
Authors: Haidekker Mark A. , Theodorakis Emmanuel A.
Published: January 2016

Dual-emission fluorescent dyes provide an internal calibration reference that enables quantification of a fluorescent signal. This review summarizes the rational design and application of such radiometric dyes.
Universal finite‐time observer design and adaptive frequency regulation of hydraulic turbine systems
Authors: Liu Yijian , Lan Qixun , Qian Chunjiang , Qian Weixing , Chu Hongyan
Published: January 2016

In this study, the authors consider the problem of frequency regulation via output feedback for a hydraulic turbine system under unknown load variations. First, to address the difficulties in estimating the unmeasurable states and the unknown load variation, they introduce a universal finite‐time observer (UFTO) which can estimate unmeasurable states, unknown parameters and disturbances under a unified framework. Based on the proposed UFTO, the unmeasurable wicket gate position, the flow rate and the load variation are estimated in a finite time for the hydraulic turbine system. Then by introducing a coordinate transformation, the state‐space model of hydraulic turbine system is converted into a simple form for which a state feedback control law is constructed using the adding a power integrator approach. Combining the UFTO with the finite‐time control law, an output feedback controller is designed to regulate the frequency of the hydraulic turbine system. Computer simulations are also given to validate the proposed finite‐time output feedback controller.
Self‐adaptive firefly algorithm based multi‐objectives for multi‐type FACTS placement
Authors: Ranganathan Selvarasu , Surya Kalavathi Munagala , Asir Rajan C. Christober
Published: January 2016

The efficient operation of the present day power system is an important issue to satisfy the customer needs. To improve the performance of the existing power system, the flexible alternating current transmission system (FACTS) devices have been attracted by an engineering community with the expertise in power system. This article proposes the self‐adaptive firefly algorithm (SAFA) for placement of FACTS devices, which identifies the appropriate type, best possible locations and optimal parameters of FACTS devices. Static var compensator, thyristor controlled series compensator and unified power flow controller are considers as FACTS devices for their placement. The objectives are to improve the power system performance by placement of FACTS devices through minimising real power loss, improving voltage profile and enhancing the voltage stability. Effectiveness of the proposed SAFA is tested on standard IEEE 30 and IEEE 57 bus systems with different objectives. The results are compared with other approaches, which clearly indicate the effectiveness and usefulness of the proposed method.
Ab initio adiabatic and quasidiabatic potential energy surfaces of H+ + CO system: A study of the ground and the first three excited electronic states
Authors: Saheer V. C. , Kumar Sanjay
Published: January 2016

The global ground and first three excited electronic state adiabatic as well as the corresponding quasidiabatic potential energy surfaces is reported as a function of nuclear geometries in the Jacobi coordinates (R→,r→,γ) using Dunning’s cc-pVTZ basis set at the internally contracted multi-reference (single and double) configuration interaction level of accuracy. Nonadiabatic couplings, arising out of relative motion of proton and the vibrational motion of CO, are also reported in terms of coupling potentials. The quasidiabatic potential energy surfaces and the coupling potentials have been obtained using the ab initio procedure [Simah et al., J. Chem. Phys. 111, 4523 (1999)] for the purpose of dynamics studies.
A broadened classical master equation approach for nonadiabatic dynamics at metal surfaces: Beyond the weak molecule-metal coupling limit
Authors: Dou Wenjie , Subotnik Joseph E.
Published: January 2016

A broadened classical master equation (BCME) is proposed for modeling nonadiabatic dynamics for molecules near metal surfaces over a wide range of parameter values and with arbitrary initial conditions. Compared with a standard classical master equation–which is valid in the limit of weak molecule-metal couplings–this BCME should be valid for both weak and strong molecule-metal couplings. (The BCME can be mapped to a Fokker-Planck equation that captures level broadening correctly.) Finally, our BCME can be solved with a simple surface hopping algorithm; numerical tests of equilibrium and dynamical observables look very promising.
Solvation structure around ruthenium(II) tris(bipyridine) in lithium halide solutions
Authors: Josefsson Ida , Eriksson Susanna K. , Rensmo Håkan , Odelius Michael
Published: January 2016

The solvation of the ruthenium(II) tris(bipyridine) ion ([Ru(bpy)3]2+) is investigated with molecular dynamics simulations of lithium halide solutions in polar solvents. The anion distribution around the [Ru(bpy)3]2+ complex exhibits a strong solvent dependence. In aqueous solution, the iodide ion forms a solvent shared complex with [Ru(bpy)3]2+, but not in the other solvents. Between Cl– and [Ru(bpy)3]2+, the strong hydration of the chloride ion results in a solvent separated complex where more than one solvent molecule separates the anion from the metal center. Hence, tailored solvation properties in electrolytes is a route to influence ion-ion interactions and related electron transfer processes.
Measurements of flow-induced birefringence in microfluidics
Authors: Sun Chen-li , Huang Hung-Yen
Published: January 2016

In this study, we demonstrate the use of a microscopic circular polariscope to measure the flow-induced birefringence in a microfluidic device that represents the kinematics of fluid motion optically. Unlike the commercial birefringence microscope employed in the previous studies, our approach is able to provide direct measurement of retardance, which quantifies the difference in refractive index of the fluid experienced by the ordinary and extraordinary rays, from one single image frame. This capability facilitates unsteady full-field quantitation of flow-induced birefringence in microfluidics that has never been achieved before. At low flow rates, we find that the value of the retardance is independent of the microfluidic design and proportional to the nominal strain rates. This linearity bridges the measurement of birefringence and the deformation rate in the microflow environment, which yields the stress information of the fluid flow. In addition, the μPIV results confirm that both extensional and shear strain rates contribute to the flow-induced birefringence so that the retardance distribution can be used to represent the field of the principal strain rate in a microfluidic device. The outcome of this study proves that our approach provides a non-invasive method that enables an intuitive full-field representation of stress in the instantaneous flow field in a microfluidic device.
Identification of quantitative trait loci for agronomic traits contributed by a barley (Hordeum vulgare) Mediterranean landrace
Authors: Boudiar Ridha , Casas Ana M. , Cantalapiedra Carlos P. , Gracia M. Pilar , Igartua Ernesto
Published: January 2016

Some Spanish barley (Hordeum vulgare L.) landraces perform better than modern cultivars at low-production sites. The objective of this study was to identify favourable quantitative trait loci (QTLs) for interesting agronomic traits contributed by the landrace SBCC073. To achieve this objective, a population of 100 BC1F5 lines was derived from the cross between the elite cultivar Orria, with high productivity, and the Spanish landrace SBCC073, which was the best performer in low-production trials. The population was evaluated in field trials for 3 years (2011, 2013, and 2014) in Zaragoza, Spain. The population was genotyped with a DArTseq genotyping-by-sequencing assay. A genetic linkage map was developed by using markers of four flowering-time genes and 1227 single-nucleotide polymorphisms of good quality. The genetic map resulted in 11 linkage groups, covering a total distance of 871.1 cM. Five QTLs for grain yield were detected on 2H.1, 4H, 5H and 6H.2. Alleles from SBCC073 contributed to increased yield in three of them. A region at the end of chromosome 5H contains favourable alleles for early vigour, higher grain yield and earlier flowering, all derived from SBCC073. Alleles from Orria contributed to increasing grain yield and simultaneously to reducing plant height on the same region of 6H.2, and to increasing 1000-kernel weight on chromosomes 3H and 5H.
Effects of prepartum oilseed supplements on subclinical endometritis, pro- and anti-inflammatory cytokine transcripts in endometrial cells and postpartum ovarian function in dairy cows
Authors: Salehi Reza , Colazo Marcos G. , Gobikrushanth Mohanathas , Basu Urmila , Ambrose Divakar J.
Published: January 2016

Postpartum uterine infections affect ovarian function and delay ovulation in cattle. As dietary fats can affect immune cell function, we investigated the influence of prepartum diets on postpartum uterine inflammatory status (UIS) as assessed 25 ± 1 days postpartum by endometrial cytology (normal: ≤8% polymorphonuclear cells (PMN) vs subclinical endometritis (SCE): >8% PMN) and associations between SCE, pro- and anti-inflammatory cytokine gene expression and ovarian function. During the last 5 weeks of gestation, dairy cows received a diet supplemented with 8% rolled sunflower (n = 10) or canola seed (n = 9) or no oilseed (n = 9). Ovaries were scanned until 35 days postpartum. Prepartum diets did not influence SCE, but a preovulatory-size follicle developed sooner (P ≤ 0.05), the interval to first ovulation was shorter and the proportion of cows ovulating within 35 days postpartum was greater in the sunflower seed group. Although mRNA expression of cytokines was not affected by diet, cows with SCE had higher (P ≤ 0.05) expression of interleukin-1β (IL1B), interleukin-8 (CXCL8), IL10 and tumour necrosis factor-α (TNF) than normal cows. The interval (mean ± s.e.m.) from calving to preovulatory-size follicle was shorter (P ≤ 0.05) in normal (13.2 ± 0.9 days) than SCE cows (18.7 ± 1.4 days). In summary, a prepartum diet supplemented with sunflower seed positively influenced postpartum ovarian function without affecting UIS or pro- and anti-inflammatory cytokine gene expression in endometrial cells.
‘Igneous’ means fire from below: the tumultuous history of the National Union of Mineworkers on the South African platinum mines
Authors: Dunbar Moodie T.
Published: January 2016

From the time Impala dismissed its entire workforce in 1986 up to and well beyond the Marikana massacre, the National Union of Mineworkers has struggled to organise the platinum mines of the Bushveld Igneous Complex. This article focuses on two case studies that highlight the fundamental importance of informal networks for organising mine workers. While the union now seems seriously at risk, it has never had an easy time in Rustenburg. Worker committees are not a new phenomenon there. Nor is insurgency. Mineworkers in South Africa, like mineworkers worldwide, have never been passive recipients of direction from above.
Screening of dietary antioxidants against mitochondria-mediated oxidative stress by visualization of intracellular redox state
Authors: Maharjan Sunita , Sakai Yasuyoshi , Hoseki Jun
Published: January 2016

Mitochondrial impairment and the resulting generation of reactive oxygen species (ROS) have been associated with aging and its related pathological conditions. Recently, dietary antioxidants have gained significant attention as potential preventive and therapeutic agents against ROS-generated aging and pathological conditions. We previously demonstrated that food-derived antioxidants prevented intracellular oxidative stress under proteasome inhibition conditions, which was attributed to mitochondrial dysfunction and ROS generation, followed by cell death. Here, we further screened dietary antioxidants for their activity as redox modulators by visualization of the redox state using Redoxfluor, a fluorescent protein redox probe. Direct alleviation of ROS by antioxidants, but not induction of antioxidative enzymes, prevented mitochondria-mediated intracellular oxidation. The effective antioxidants scavenged mitochondrial ROS and suppressed cell death. Our study indicates that redox visualization under mitochondria-mediated oxidative stress is useful for screening potential antioxidants to counteract mitochondrial dysfunction, which has been implicated in aging and the pathogenesis of aging-related diseases.
Augmin shapes the anaphase spindle for efficient cytokinetic furrow ingression and abscission
Authors: Uehara Ryota , Kamasaki Tomoko , Hiruma Shota , Poser Ina , Yoda Kinya , Yajima Junichiro , Gerlich Daniel W. , Goshima Gohta
Published: January 2016

During anaphase, distinct populations of microtubules (MTs) form by either centrosome-dependent or augmin-dependent nucleation. It remains largely unknown whether these different MT populations contribute distinct functions to cytokinesis. Here we show that augmin-dependent MTs are required for the progression of both furrow ingression and abscission. Augmin depletion reduced the accumulation of anillin, a contractile ring regulator at the cell equator, yet centrosomal MTs were sufficient to mediate RhoA activation at the furrow. This defect in contractile ring organization, combined with incomplete spindle pole separation during anaphase, led to impaired furrow ingression. During the late stages of cytokinesis, astral MTs formed bundles in the intercellular bridge, but these failed to assemble a focused midbody structure and did not establish tight linkage to the plasma membrane, resulting in furrow regression. Thus augmin-dependent acentrosomal MTs and centrosomal MTs contribute to nonredundant targeting mechanisms of different cytokinesis factors, which are required for the formation of a functional contractile ring and midbody.
Identification of DPY19L3 as theC-mannosyltransferase of R-spondin1 in human cells
Authors: Niwa Yuki , Suzuki Takehiro , Dohmae Naoshi , Simizu Siro
Published: January 2016

R-spondin1 (Rspo1) is a secreted protein that enhances Wnt signaling, which has crucial functions in embryonic development and several cancers. C-mannosylation is a rare type of glycosylation and might regulate secretion, protein–protein interactions, and enzymatic activity. Although human Rspo1 contains 2 predicted C-mannosylation sites, C-mannosylation of Rspo1 has not been reported, nor have its functional effects on this protein. In this study, we demonstrate by mass spectrometry that Rspo1 is C-mannosylated at W153and W156. Using Lec15.2 cells, which lack dolichol-phosphate-mannose synthesis activity, and mutant Rspo1-expressing cells that replace W153and W156by alanine residues, we observed that C-mannosylation of Rspo1 is required for its secretion. Further, the enhancement of canonical Wnt signaling by Rspo1 is regulated by C-mannosylation. Recently DPY19 was reported to be a C-mannosyltransferase in Caenorhabditis elegans, but no C-mannosyltransferases have been identified in any other organism. In gain- and loss-of-function experiments, human DPY19L3 selectively modified Rspo1 at W156but not W153based on mass spectrometry. Moreover, knockdown of DPY19L3 inhibited the secretion of Rspo1. In conclusion, we identified DPY19L3 as the C-mannosyltransferase of Rspo1 at W156and found that DPY19L3-mediated C-mannosylation of Rspo1 at W156is required for its secretion.
Molecular Epidemiology of Rhinovirus Detections in Young Children
Authors: Howard Leigh M. , Johnson Monika , Gil Ana I. , Griffin Marie R. , Edwards Kathryn M. , Lanata Claudio F. , Williams John V. , Grijalva Carlos G. ,   for the RESPIRA-PERU Group, Griffin Marie R. , Williams John V. , Howard Leigh M. , Edwards Kathryn M. , Budge Philip J. , Zhu Yuwei , Johnson Monika , Grijalva Carlos G. , Vidal Jorge E. , Klugman Keith P. , Verastegui Hector , Hartinger Stella M. , Gil Ana I. , Lanata Claudio F.
Published: January 2016

Background.  Human rhinoviruses (HRVs) are frequently detected in children with acute respiratory illnesses (ARIs) but also in asymptomatic children. We compared features of ARI with HRV species (A, B, C) and determined genotypes associated with repeated HRV detections within individuals.

Methods.  We used clinical data and respiratory samples obtained from children <3 years old during weekly active household-based surveillance. A random subset of samples in which HRV was detected from individuals during both ARI and an asymptomatic period within 120 days of the ARI were genotyped. Features of ARI were compared among HRV species. Concordance of genotype among repeated HRV detections within individuals was assessed.

Results.  Among 207 ARI samples sequenced, HRV-A, HRV-B, and HRV-C were detected in 104 (50%), 20 (10%), and 83 (40%), respectively. Presence of fever, decreased appetite, and malaise were significantly higher in children with HRV-B. When codetections with other viruses were excluded (n = 155), these trends persisted, but some did not reach statistical significance. When 58 paired sequential HRV detections during asymptomatic and ARI episodes were sequenced, only 9 (16%) were identical genotypes of HRV.

Conclusions.  Clinical features may differ among HRV species. Repeated HRV detections in young children frequently represented acquisition of new HRV strains.
Infundibulocystic Structures and Prominent Squamous Metaplasia in Sebaceoma—A Rare Feature. A Clinicopathologic Study of 10 Cases
Authors: Flux Katharina , Kutzner Heinz , Rütten Arno , Plaza Jose A. , Gasparov Slavko , Michal Michal , Guenova Emmanuella , Kazakov Dmitry V.
Published: January 2016

The authors describe 10 cases of sebaceoma that manifested prominent infundibulocystic structures in all cases and, additionally, conspicuous squamous metaplasia in 6 neoplasms. All tumors occurred on the scalp or the face (2 cases lacked clinical information) and presented as a solitary lesion, measuring from 5 to 20 mm. The patients' age ranged from 22 to 89 years. The main component of all tumors was small, uniform basaloid cells (immature sebocytes) intermixed with mature sebocytes clearly arranged in nodules, classifying the lesions as a sebaceoma. In all neoplasms, the tumor cells showed organoid growth patterns of sebaceoma, including rippled, sinusoidal/labyrinthine, and carcinoid-like, occurring alone or in combination. Additionally, numerous infundibulocystic structures were readily noticed and were either distributed multifocally or unilocular within the tumors. In some cases, they were segregated from the main tumor bulk. The authors posit that these structures, which are different from both sebaceous ductal differentiation and squamous metaplasia, represent an authentic follicular differentiation. The infundibulocystic features (combined with squamous metaplasia), when prominent and in a limited biopsy specimen, may cause a confusion with trichoadenoma or even microcystic adnexal carcinoma.
The extinct, giant giraffid
Sivatherium giganteum
: skeletal reconstruction and body mass estimation
Authors: Basu Christopher , Falkingham Peter L. , Hutchinson John R.
Published: January 2016

Sivatherium giganteum
is an extinct giraffid from the Plio–Pleistocene boundary of the Himalayan foothills. To date, there has been no rigorous skeletal reconstruction of this unusual mammal. Historical and contemporary accounts anecdotally state that
Sivatherium
rivalled the African elephant in terms of its body mass, but this statement has never been tested. Here, we present a three-dimensional composite skeletal reconstruction and calculate a representative body mass estimate for this species using a volumetric method. We find that the estimated adult body mass of 1246 kg (857—1812 kg range) does not approach that of an African elephant, but confirms that
Sivatherium
was certainly a large giraffid, and may have been the largest ruminant mammal that has ever existed. We contrast this volumetric estimate with a bivariate scaling estimate derived from
Sivatherium's
humeral circumference and find that there is a discrepancy between the two. The difference implies that the humeral circumference of
Sivatherium
is greater than expected for an animal of this size, and we speculate this may be linked to a cranial shift in centre of mass.
Role of stag beetle jaw bending and torsion in grip on rivals
Authors: Goyens Jana , Dirckx Joris , Piessen Maxim , Aerts Peter
Published: January 2016

In aggressive battles, the extremely large male stag beetle jaws have to withstand strongly elevated bite forces. We found several adaptations of the maleCyclommatus metalliferjaw morphology for enhanced robustness that conspecific females lack. As a result, males improve their grip on opponents and they maintain their safety factor (5.2–7.2) at the same level as that of females (6.8), despite their strongly elevated bite muscle force (3.9 times stronger). Males have a higher second moment of area and torsion constant than females, owing to an enhanced cross-sectional area and shape. These parameters also increase faster with increasing bending moment towards the jaw base in males than in females. Male jaws are more bending resistant against the bite reaction force than against perpendicular forces (which remain lower in battles). Because of the triangular cross section of the male jaw base, it twists more easily than it bends. This torsional flexibility creates a safety system against overload that, at the same time, secures a firm grip on rivals. We found no structural mechanical function of the large teeth halfway along the male jaws. Therefore, it appears that the main purpose of these teeth is a further improvement of grip on rivals.
Type-III secretion filaments as scaffolds for inorganic nanostructures
Authors: Azam Anum , Tullman-Ercek Danielle
Published: January 2016

Nanostructured materials exhibit unique magnetic, electrical and catalytic properties. These characteristics are determined by the chemical composition, size and shape of the nanostructured components, which are challenging to modulate on such small size scales and to interface with living cells. To address this problem, we are using a self-assembling filament protein, PrgI, as a scaffold for bottom-up inorganic nanostructure synthesis. PrgI is a small protein (80 amino acids) that oligomerizes to form the type-III secretion system needle of
Salmonella enterica
. We demonstrate that purified PrgI monomers also spontaneously self-assemble into long filaments and that high-affinity peptide tags specific for attachment to functionalized particles can be integrated into the N-terminal region of PrgI. The resulting filaments selectively bind to gold, whether the filaments are assembled
in vitro
, sheared from cells or remain attached to live
S. enterica
cell membranes. Chemical reduction of the gold-modified PrgI variants results in structures that are several micrometres in length and which incorporate a contiguous gold surface. Mutant strains with genomically incorporated metal-binding tags retain the secretion phenotype. We anticipate that self-assembled, cell-tethered protein/metal filamentous structures have applications in sensing and energy transduction
in vivo
.
First report of
Plesiochelys etalloni
and
Tropidemys langii
from the Late Jurassic of the UK and the palaeobiogeography of plesiochelyid turtles
Authors: Anquetin Jérémy , Chapman Sandra D.
Published: January 2016

Plesiochelyidae is a clade of relatively large coastal marine turtles that inhabited the shallow epicontinental seas that covered western Europe during the Late Jurassic. Although the group has been reported from many deposits, the material is rarely identified at the species level. Here, we describe historical plesiochelyid material from the Kimmeridge Clay Formation of England and compare it with contemporaneous localities from the continent. An isolated basicranium is referred to the plesiochelyid
Plesiochelys etalloni
based notably on the presence of a fully ossified pila prootica. This specimen represents the largest individual known so far for this species and is characterized by remarkably robust features. It is, however, uncertain whether this represents an ontogenetic trend towards robustness in this species, some kind of specific variation (temporal, geographical or sexual), or an abnormal condition of this particular specimen. Four other specimens from the Kimmeridge Clay are referred to the plesiochelyid
Tropidemys langii
. This contradicts a recent study that failed to identify this species in this formation. This is the first time, to the best of our knowledge, that the presence of
Plesiochelys etalloni
and
Tropidemys langii
is confirmed outside the Swiss and French Jura Mountains. Our results indicate that some plesiochelyids had a wide palaeobiogeographic distribution during the Kimmeridgian.
Lack of experience-based stratification in homing pigeon leadership hierarchies
Authors: Watts Isobel , Pettit Benjamin , Nagy Máté , de Perera Theresa Burt , Biro Dora
Published: January 2016

In societies that make collective decisions through leadership, a fundamental question concerns the individual attributes that allow certain group members to assume leadership roles over others. Homing pigeons form transitive leadership hierarchies during flock flights, where flock members are ranked according to the average time differences with which they lead or follow others' movement. Here, we test systematically whether leadership ranks in navigational hierarchies are correlated with prior experience of a homing task. We constructed experimental flocks of pigeons with mixed navigational experience: half of the birds within each flock had been familiarized with a specific release site through multiple previous releases, while the other half had never been released from the same site. We measured the birds' hierarchical leadership ranks, then switched the same birds' roles at a second site to test whether the relative hierarchical positions of the birds in the two subsets would reverse in response to the reversal in levels of experience. We found that while across all releases the top hierarchical positions were occupied by experienced birds significantly more often than by inexperienced ones, the remaining experienced birds were not consistently clustered in the top half—in other words, the network did not become stratified. We discuss our results in light of the adaptive value of structuring leadership hierarchies according to ‘merit’ (here, navigational experience).