bluuebunny/crossref_metadata_2025 huggingface dataset:
Peptidic β-sheets induce Congo red-derived fluorescence to improve the sensitivity of HIV-1 p24 detection
Authors: Sun Hongyan , Liu Ye , Zhang Cuntong , Luo Xuegang , Jiang Xingyu
Published: January 2017

We employ a peptide which contains a 2-phenylalanine core component to efficiently form β-sheets, which can combine with Congo red molecules and produce strong fluorescence with high sensitivity to ensure an earlier diagnosis of HIV infection.
Personalized protein corona on nanoparticles and its clinical implications
Authors: Corbo Claudia , Molinaro Roberto , Tabatabaei Mateen , Farokhzad Omid C. , Mahmoudi Morteza
Published: January 2017

It is increasingly being accepted that the protein corona is strongly affected by the patient's specific disease. Therefore, the same nanomaterial incubated with plasma proteins of patients with different pathologies adsorb protein coronas with different compositions, giving rise to the concept of personalized protein corona.
First report on bio-catalytic N-formylation of amines using ethyl formate
Authors: Patre Rupesh E. , Mal Sanjib , Nilkanth Pankaj R. , Ghorai Sujit K. , Deshpande Sudhindra H. , El Qacemi Myriem , Smejkal Tomas , Pal Sitaram , Manjunath Bhanu N.
Published: January 2017

A bio-catalyzedN-formylation reaction of different amines has been developed using ethyl formate as a formylating agent.
Electrochromism of a bipolar reversible redox-active ferrocene–viologen linked ionic liquid
Authors: Tahara Hironobu , Baba Rei , Iwanaga Kodai , Sagara Takamasa , Murakami Hiroto
Published: January 2017

A ferrocene–viologen linked “bipolar” type redox-active ionic liquid ([FcC11VC1][TFSI]2) was synthesized as an electrochromic (EC) material that functions without any other additives: solvents, supporting electrolytes and sacrificial agents.
Cp*Rh(iii)-catalyzed C(sp3)–H alkylation of 8-methylquinolines in aqueous media
Authors: Kim Saegun , Han Sangil , Park Jihye , Sharma Satyasheel , Mishra Neeraj Kumar , Oh Hyunjung , Kwak Jong Hwan , Kim In Su
Published: January 2017

A mild and efficient approach for the cross-coupling reaction of 8-methylquinolines with a range of allylic alcohols in water as a solvent under rhodium(iii) catalysis is described.
Reversible alkoxycarbene formation by C–H activation of ethers via discrete, isolable intermediates
Authors: Zhang Yuanyuan , Schley Nathan D.
Published: January 2017

A cationic iridium complex is shown to interconvert a pendant ether and the corresponding dihydridoalkoxycarbene via two consecutive C–H activations.
Diradicalized biphenyl derivative carbon-based material molecules: exploring the tuning effects on magnetic couplings
Authors: Feng Yiwei , Zhang Fengying , Song Xinyu , Bu Yuxiang
Published: January 2017

DFT calculations reveal three different interference effects on the magnetic properties of carbon-based molecule coupled nitroxide diradicals: twisting, sideways group, and position effects.
Conformationally dynamic titanium and zirconium cationic complexes of bis(naphthoxy)pyridine ligands: structure, “oscillation” and olefin polymerization catalysis
Authors: Annunziata Liana , Roisnel Thierry , Razavi Abbas , Carpentier Jean-François , Kirillov Evgueni
Published: January 2017

The interconversion and reorganization processes occurring in cationic Ti and Zr complexes were studied by NMR techniques and DFT computations.
A unique delaminated MoS4/OS-LEuH composite exhibiting turn-on luminescence sensing for detection of water in formamide
Authors: Xie Linxia , Liu Chenyu , Ma Lijiao , Xiao Chengliang , Ma Shulan , Sun Genban , Li Huifeng , Yang Xiaojing
Published: January 2017

A delaminated MoS4/OS-LEuH composite showed quenched luminescence in pure formamide while highly enhanced emission in the water-present case.
Poly(acrylic acid)-coated titanium dioxide nanoparticle and ultraviolet light co-exposure has minimal effect on developing zebrafish (Danio rerio)
Authors: Felix Lindsey C. , Folkerts Erik J. , He Yuhe , Goss Greg G.
Published: January 2017

Simulated sunlight illumination had little or no effect on polymer-coated titanium dioxide nanoparticle exposed zebrafish embryos and larvae.
Electrostatic interactions between ions near Thomas–Fermi substrates and the surface energy of ionic crystals at imperfect metals
Authors: Kaiser V. , Comtet J. , Niguès A. , Siria A. , Coasne B. , Bocquet L.
Published: January 2017

The electrostatic interaction between two charged particles is strongly modified in the vicinity of a metal. This situation is usually accounted for by the celebrated image charges approach, which was further extended to account for the electronic screening properties of the metal at the level of the Thomas–Fermi description. In this paper we build upon a previous approach [M. A. Vorotyntsev and A. A. Kornyshev, Zh. Eksp. Teor. Fiz., 1980, 78(3), 1008–1019] and successive works to calculate the 1-body and 2-body electrostatic energy of ions near a metal in terms of the Thomas–Fermi screening length. We propose workable approximations suitable for molecular simulations of ionic systems close to metallic walls. Furthermore, we use this framework to calculate analytically the electrostatic contribution to the surface energy of a one dimensional crystal at a metallic wall and its dependence on the Thomas–Fermi screening length. These calculations provide a simple interpretation for the surface energy in terms of image charges, which allows for an estimation of the interfacial properties in more complex situations of a disordered ionic liquid close to a metal surface. The counter-intuitive outcome is that electronic screening, as characterized by a molecular Thomas–Fermi length lTF, profoundly affects the wetting of ionic systems close to a metal, in line with the recent experimental observation of capillary freezing of ionic liquids in metallic confinement.
Protein–ligand (un)binding kinetics as a new paradigm for drug discovery at the crossroad between experiments and modelling
Authors: Bernetti M. , Cavalli A. , Mollica L.
Published: January 2017

Herein, we present an overview of a broad range of physico-chemical approaches able to reveal the details of protein–ligand kinetics.
Efficient and selective separation of aqueous sulfate through recognition and precipitation
Authors: Ke Ya-Ting , Chou Wei-Tzu , Chiang Yi-Fen , Hsieh Chang-Chih , Horng Yih-Chern
Published: January 2017

Sulfate anions are selectively separated from aqueous solution in the form of precipitates by a mono-protonated organic receptor, constructed in situ through anion-templated chemical synthesis.
Chemoselective synthesis of macrocyclic poly(methylvinylsiloxane)s via metathetical ring-expanding polymerization of oligomeric cyclosiloxanes by sequential (MeVinylSi-O-) insertion reactions
Authors: Li Ze , Wu Chunyong , Liu Lifeng , Li Meijiang , Yang Xiongfa , Hao Chaowei , Chen Qiu , Hu Ziqiang , Luo Mengxian , Lai Guoqiao , Luh Tien-Yau
Published: January 2017

Macrocyclic poly(methylvinylsiloxane)s were synthesized chemoselectively.
Recent progress in interfacial polymerization
Authors: Song Yongyang , Fan Jun-Bing , Wang Shutao
Published: January 2017

Herein, recent progress in interfacial polymerization from the aspects of theory models, fabrication methods, and applications has been summarized.
Copper salt-catalyzed formation of a novel series of triazole–spirodienone conjugates with potent anticancer activity
Authors: Gu Linghui , Wang Peng , Zhong Qiu , Deng Yuxing , Xie Jiangping , Liu Fei , Xiao Fan , Zheng Shilong , Chen Yue , Wang Guangdi , He Ling
Published: January 2017

Copper salt-catalyzed oxidative amination resulted in the formation of a novel series of triazole–spirodienone conjugates, 4-triazolyl-1-oxa-4-azaspiro[4,5]deca-6,9-dien-3,8-diones and 4-triazolyl-1-oxa-4-azaspiro[4,5]deca-6,9-dien-8-ones.
Synthesis and characterization of a plasma carbon aerosol coated sponge for recyclable and efficient separation and adsorption
Authors: Wu A. J. , Li X. D. , Yang J. , Yan J. H.
Published: January 2017

Hydrogen and carbon aerosol are co-generated by rotating gliding arc (RGA) plasma in CH4 direct conversion. The nanostructure carbon aerosol was firstly incorporated with the commercial sponge to fabricate the high selective and hydrophobic adsorption sponge.
Recent studies of the synthesis, functionalization, optoelectronic properties and applications of dibenzophospholes
Authors: Hibner-Kulicka Paulina , Joule John Arthur , Skalik Joanna , Bałczewski Piotr
Published: January 2017

The dibenzophospholes, synthesized in the 1950s, have recently gained a greater importance, due to their use in organic electronics and the possibility of designing new π-conjugated, optoelectronic materials that incorporate these heterocycles.
Investigating microwave deicing efficiency in concrete pavement
Authors: Lu Song , Xu Jinyu , Bai Erlei , Liu Junliang , Luo Xin
Published: January 2017

Microwave deicing is an intelligent and environmentally friendly method that overcomes the many shortfalls of traditional deicing methods, including mechanical, chemical and thermal techniques.
An ultrasensitive near-infrared satellite SERS sensor: DNA self-assembled gold nanorod/nanospheres structure
Authors: Yang Nan , You Ting-Ting , Liang Xiu , Zhang Chen-Meng , Jiang Li , Yin Peng-Gang
Published: January 2017

A gold nanorod/nanospheres structure assembled by DNA was used as an ultrasensitive near-infrared satellite SERS sensor.
Random copolymer gels of N-isopropylacrylamide and N-ethylacrylamide: effect of synthesis solvent compositions on their properties
Authors: Wang Qiao , Biswas Chandra Sekhar , Galluzzi Massimiliano , Wu Yuhang , Du Bing , Stadler Florian. J.
Published: January 2017

Random copolymer gels of N-isopropylacrylamide (NIPAM) and N-ethylacrylamide (NEAM) were synthesized using 1 : 1 monomer molar ratio in different methanol–water mixtures. (xm = 0, 0.06, 0.13, 0.21, 0.31 0.43, 0.57, 0.76, where xm = mole fraction of methanol) (xm = 0, 0.06, 0.13, 0.21, 0.31, 0.43, 0.57, 0.76, where xm = mole fraction of methanol).
The effect of different hydrogen terminations on the structural and electronic properties in the triangular array graphene nanomeshes
Authors: Tang G. P. , Zhang Z. H. , Deng X. Q. , Fan Z. Q. , Zhang H. L. , Sun L.
Published: January 2017

Constructing periodic nanoscale holes on graphene to form graphene nanomeshes (GNMs) is an effective way for opening band gaps. The GNMs terminated by di-hydrogenation could open a sizable band gap due to the stronger on-site potential between holes.
Magnetic graphene oxide modified by chloride imidazole ionic liquid for the high-efficiency adsorption of anionic dyes
Authors: Wang Huan , Wei Yinmao
Published: January 2017

Magnetic graphene oxide modified with 1-amine-3-methyl imidazole chloride ionic liquid (LI-MGO) was prepared through a chemical co-precipitation method. Adsorption properties were evaluated by adsorption experiments with four kinds of anionic and cationic dyes.
Accelerated simulation of the degradation process of poly(arylene ether ketone)s containing alkylsulfonated side chains used as a proton exchange mmembrane
Authors: Liu Dong , Li Jiamin , Ni Jiangpeng , Xiang Xiongzhi , Liu Bin , Wang Lei
Published: January 2017

The apparent structural degradation of the SPAEKs in Fenton's test is mainly ascribed to the cleavage of the main chains of the polymer.
Field-induced formation and growth of pillars on films of bisphenol-A-polycarbonate
Authors: Chuang Yu-Fan , Peng Jyun-siang , Yang Fuqian , Chiang Donyau , Lee Sanboh
Published: January 2017

AFM image and FFT of the surface topologies of the BPAPC films of thickness 60 nm under the action of an electric voltage of 30 V at 200 °C for 70 min.
Graphene oxide and adenosine triphosphate as a source for functionalized carbon dots with applications in pH-triggered drug delivery and cell imaging
Authors: Zhang Ming , Zhou Ninglin , Yuan Ping , Su Yutian , Shao Maoni , Chi Cheng
Published: January 2017

A folate-functionalized carbon dot-based nanocarrier system has been successfully synthesized for cancer cell targeted drug delivery.
First-principles investigation of the surface properties of fergusonite-type monoclinic BiVO4 photocatalyst
Authors: Li Guo-Ling
Published: January 2017

The predicted equilibrium morphology of fm-BiVO4 agrees well with the experimental one. The tiny {111} facets exposed play an important role in photo(electro)catalysis.
Pharmacokinetics of rosmarinic acid in rats by LC-MS/MS: absolute bioavailability and dose proportionality
Authors: Wang Jingxian , Li Guoyuan , Rui Tianqi , Kang An , Li Guochun , Fu Tingming , Li Junsong , Di Liuqing , Cai Baochang
Published: January 2017

The pharmacokinetic properties of RA were characterized as rapid absorption, middle-speed elimination, poor absolute bioavailability, and lack of dose proportionality.
Robust superhydrophobic and self-lubricating PTES-TiO2@UHMWPE fabric and its tribological properties
Authors: Li Deke , Guo Zhiguang
Published: January 2017

Self-lubricating UHMWPE was treated by air-plasma, and TiO2 nanoparticles were grafted onto the fabric by an in situ growth method.
Conversion of supramolecular organic framework to uranyl-organic coordination complex: a new “matrix-free” strategy for highly efficient capture of uranium
Authors: Li Bo , Wang Lei , Li Yang , Wang Dongqi , Wen Rui , Guo Xinghua , Li Shoujian , Ma Lijian , Tian Yin
Published: January 2017

Conversion of hydrogen-bonded supramolecular organic frameworks (HSOF) to a uranyl-organic coordination complex (UOCC) by uranyl-induced disassembly and reassembly: innovative “matrix-free” strategy for highly efficient uranium capture.
Synthesis, characterization and photovoltaic studies of oligo(acriflavine) via chemical oxidative polymerization
Authors: Kolcu Feyza , Kaya İsmet
Published: January 2017

Oligo(acriflavine) was synthesizedviachemical oxidative polycondensation by H2O2(30%) as the oxidant. Cyclic voltammetry (CV) is an effective method to estimate HOMO–LUMO energy levels and electrochemical (E′g) band gap of the oligomer.
Multiscale structured germanium nanoripples as templates for bioactive surfaces
Authors: Dell'Anna Rossana , Masciullo Cecilia , Iacob Erica , Barozzi Mario , Giubertoni Damiano , Böttger Roman , Cecchini Marco , Pepponi Giancarlo
Published: January 2017

A novel two-step transfer process, that produces by nanoimprinting lithography biocompatible polymeric nanowired ripples, starting from germanium surfaces nanopatterned by irradiating gold ions.
New quinacridone derivatives with π-extended conjugation in central core
Authors: Kurzep Piotr , Skórka Łukasz , Zagorska Malgorzata , Guńka Piotr A. , Banasiewicz Marzena , Kozankiewicz Bolesław , Kulszewicz-Bajer Irena
Published: January 2017

A novel synthetic strategy for the preparation of quinacridone derivatives with extended conjugation in central aromatic core is proposed allowing for fine tuning of their electronic properties.
DNA-barcoded labeling probes for highly multiplexed Exchange-PAINT imaging
Authors: Agasti Sarit S. , Wang Yu , Schueder Florian , Sukumar Aishwarya , Jungmann Ralf , Yin Peng
Published: January 2017

We report the development of multiplexed cellular super-resolution imaging using DNA-barcoded binders.
Comb-shaped polymer grafted with REDV peptide, PEG and PEI as targeting gene carrier for selective transfection of human endothelial cells
Authors: Wang Haixia , Li Qian , Yang Jing , Guo Jintang , Ren Xiangkui , Feng Yakai , Zhang Wencheng
Published: January 2017

Several REDV peptide molecules are covalently linked onto an amphiphilic block copolymer to obtain REDV-modified polycationic polymer as a gene carrier with targeting function. The targeting gene complexes show high cell recognition and binding affinity to human endothelial cells.
Comparative assessment of the strain-sensing behaviors of polylactic acid nanocomposites: reduced graphene oxide or carbon nanotubes
Authors: Hu Chao , Li Zeyu , Wang Yalong , Gao Jiachen , Dai Kun , Zheng Guoqiang , Liu Chuntai , Shen Changyu , Song Haixiang , Guo Zhanhu
Published: January 2017

The influence of filler morphology on the crystallization behaviors, thermal stability and strain-sensing behaviors of PLA nanocomposites was revealed.
Electrical anharmonicity in hydrogen bonded systems: complete interpretation of the IR spectra of the Cl–H⃑ stretching band in the gaseous (CH3)2O⋯HCl complex
Authors: Rekik Najeh , Suleiman Jamal , Blaise Paul , Wojcik Marek J. , Flakus Henryk T. , Nakajima Takahito
Published: January 2017

Following the previous developments to simulate the fully infrared spectra of weak hydrogen bond systems within the linear response theory, an extension of the adiabatic model is presented here.
Mechanistic study of NO oxidation on Cr–phthalocyanine: theoretical insight
Authors: Junkaew Anchalee , Meeprasert Jittima , Jansang Bavornpon , Kungwan Nawee , Namuangruk Supawadee
Published: January 2017

A mechanistic investigation by DFT reveals that Cr–phthalocyanine is a promising catalyst for NO oxidation at low temperatures.
Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights
Authors: Orue Ane , Uria Uxue , Roca-López David , Delso Ignacio , Reyes Efraím , Carrillo Luisa , Merino Pedro , Vicario Jose L.
Published: January 2017

Racemic 2-hydroxydihydropyran-5-ones react as unconventional O-pronucleophiles in a conjugate addition/Michael reaction cascade process under DKR, leading to the formation of a single stereoisomer out of 16 possible ones.
Computation of eigenfrequencies for equilibrium models including turbulent pressure
Authors: Sonoi T. , Belkacem K. , Dupret M.-A. , Samadi R. , Ludwig H.-G. , Caffau E. , Mosser B.
Published: January 2017

Context. The space-borne missions CoRoT and Kepler have provided a wealth of highly accurate data. However, our inability to properly model the upper-most region of solar-like stars prevents us from making the best of these observations. This problem is called “surface effect” and a key ingredient to solve it is turbulent pressure for the computation of both the equilibrium models and the oscillations. While 3D hydrodynamic simulations help to include properly the turbulent pressure in the equilibrium models, the way this surface effect is included in the computation of stellar oscillations is still subject to uncertainties.

Aims. We aim at determining how to properly include the effect of turbulent pressure and its Lagrangian perturbation in the adiabatic computation of the oscillations. We also discuss the validity of the gas-gamma model and reduced gamma model approximations, which have been used to compute adiabatic oscillations of equilibrium models including turbulent pressure.

Methods. We use a patched model of the Sun with an inner part constructed by a 1D stellar evolution code (CESTAM) and an outer part by the 3D hydrodynamical code (CO5BOLD). Then, the adiabatic oscillations are computed using the ADIPLS code for the gas-gamma and reduced gamma model approximations and with the MAD code imposing the adiabatic condition on an existing time-dependent convection formalism. Finally, all those results are compared to the observed solar frequencies.

Results. We show that the computation of the oscillations using the time-dependent convection formalism in the adiabatic limit improves significantly the agreement with the observed frequencies compared to the gas-gamma and reduced gamma model approximations. Of the components of the perturbation of the turbulent pressure, the perturbation of the density and advection term is found to contribute most to the frequency shift.

Conclusions. The turbulent pressure is certainly the dominant factor responsible for the surface effects. Its inclusion into the equilibrium models is thus necessary but not sufficient. Indeed, the perturbation of the turbulent pressure must be properly taken into account for computing adiabatic oscillation frequencies. We propose a formalism to evaluate the frequency shift due to the inclusion of the term with the turbulent pressure perturbation in the variational principle in order to extrapolate our result to other stars at various evolutionary stages. Although this work is limited to adiabatic oscillations and the inclusion of the turbulent pressure, future works will have to account for the nonadiabatic effect and convective backwarming.
Clival Subdural Hematoma after Drainage of Concomitant Intracranial and Spinal Cord Subdural Hematomas – Rare Case Report
Authors: Caramanti Ricardo , Fernandes Ronaldo , Abib Eduardo , Elakkis Richan , Meguins Lucas , Nogueira Fabiano , de Moraes Dionei
Published: January 2017

Concomitant traumatic spinal cord and intracranial subdural hematomas associated with a retroclival hematoma are very uncommon. Their pathophysiology is not totally elucidated, but one hypothesis is the migration of the hematoma from the head to the spine. In the present case report, the authors describe the case of a 51-year-old man presenting with headache, nauseas and back pain after a head trauma who presented with intracranial and spinal cord subdural hematomas. Drainage was performed but, 1 week later, a retroclival subdural hematoma was diagnosed. The present paper discusses the pathophysiology, the clinical presentation, as well as the complications of concomitant traumatic spinal cord and intracranial subdural hematomas associated with a retroclival hematoma, and reviews this condition.
Serial Measurement of Superior Vena Cava Flow in Evaluation of the Clinical Severity of Pial Arteriovenous Fistula in an Infant
Authors: Ago Mako , Masumoto Kenichi , Uchiyama Atsushi , Aihara Yasuo , Okada Yoshikazu , Kusuda Satoshi
Published: January 2017

Background Pial arteriovenous fistula (AVF) is composed of one or more direct arterial feeding vessels with a single draining vein without nidus. A patient with the disease with high-flow AV shunting in the neonatal period not only suffers from high-output cardiac failure but also shows secondary neurological sequelae. In vein of Galen aneurysmal malformation, superior vena cava (SVC) flow measurements provide useful prognostic information.

Case Presentation We measured serial SVC flow in a male infant with pial AVF. The term infant presented with tachypnea, a heart murmur, and a cranial bruit after birth, and cranial magnetic resonance imaging and computed tomographic angiography revealed a pial AVF on the left sylvian fissure. SVC flow was at the upper normal limit at presentation. After 1 month, SVC flow gradually increased up to fourfold. Surgical resection of the pial AVF was performed and diagnosed as pial AVF on day 62. The SVC flow immediately decreased thereafter.

Conclusion SVC flow reflects the shunt volume and may be a useful parameter for evaluating the optimal timing and effectiveness of intervention in pial AVF.
Anterior Skull Base Glomangioma-Induced Osteomalacia
Authors: Gresham Malia , Shen Steven , Zhang Yi , Gallagher Kelly
Published: January 2017

Oncogenic osteomalacia (OO) is an uncommon but treatable cause of osteomalacia related to tumor production of FGF23, usually caused by benign mesenchymal neoplasms. Paranasal sinus glomangiomas are a rare cause of OO, with only one previously reported case. Here we describe a second case (first reported in English) of paranasal sinus glomangioma-induced osteomalacia in a 42-year-old man. He presented with weakness and multiple spontaneous fractures, and was found to have an ethmoid sinus glomangioma with intracranial extension. The tumor was removed via endoscopic endonasal approach to the anterior skull base, which resulted in complete resolution of symptoms and no further evidence of disease 1 year postoperatively.
Isolated Spontaneous Midbrain Hemorrhage in a 14-Year-Old Boy
Authors: Nguyen Kim-Long , Kim Hyunyoung , Nagy Laszlo
Published: January 2017

Isolated spontaneous midbrain hemorrhages are rare because they are usually secondary to hemorrhages from inferior structures such as the pons and cerebellum, or superior structures such as the thalamus and putamen. While the etiologies are largely unidentified, the most common ones are vascular malformations and bleeding diathesis with hypertension being relatively uncommon. We report midbrain hemorrhage in a 14-year-old boy with a long-standing history of frequent migraine headaches and attention deficit/hyperactivity disorder (ADHD). Neurologic examinations, noncontrast computed tomography (CT) scans, and magnetic resonance imaging (MRI) suggested that the lesion likely affected the dorsal part of the midbrain. The neurologic symptoms improved following endoscopic third ventriculostomy (ETV) with the placement of external ventricular drains (EVDs). In this report, anatomical correlations to the case are discussed and previous reports of midbrain hemorrhages are reviewed.
Dynamics of local symmetry correlators for interacting many-particle systems
Authors: Schmelcher P. , Krönke S. , Diakonos F. K.
Published: January 2017

Recently [P. A. Kalozoumis et al. Phys. Rev. Lett. 113, 050403 (2014)] the concept of local symmetries in one-dimensional stationary wave propagation has been shown to lead to a class of invariant two-point currents that allow to generalize the parity and Bloch theorem. In the present work, we establish the theoretical framework of local symmetries for higher-dimensional interacting many-body systems. Based on the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy, we derive the equations of motion of local symmetry correlators which are off-diagonal elements of the reduced one-body density matrix at symmetry related positions. The natural orbital representation yields equations of motion for the convex sum of the local symmetry correlators of the natural orbitals as well as for the local symmetry correlators of the individual orbitals themselves. An alternative integral representation with a unique interpretation is provided. We discuss special cases, such as the bosonic and fermionic mean field theory, and show in particular that the invariance of two-point currents is recovered in the case of the non-interacting one-dimensional stationary wave propagation. Finally we derive the equations of motion for anomalous local symmetry correlators which indicate the breaking of a global into a local symmetry in the stationary non-interacting case.
Electronic and vibrational structures in the S and S1 states of coronene
Authors: Kunishige Sachi , Kanaoka Ayumi , Katori Toshiharu , Kawabata Megumi , Baba Masaaki , Yamanaka Takaya , Higashibayashi Shuhei , Sakurai Hidehiro
Published: January 2017

We observed the fluorescence excitation spectra and dispersed fluorescence spectra of jet-cooled coronene-h12 and coronene-d12. We analyzed the vibronic structures, assuming a planar and sixfold symmetric molecular structure (D6h). The S1 state was identified to be B2u1. The S1B2u1←S0A1g1 transition is symmetry forbidden, so the 000 band is missing in the fluorescence excitation spectrum. We found a number of vibronic bands that were assigned to the e2g fundamental bands and their combination bands with totally symmetric a1g vibrations. This spectral feature is similar to that of benzene although several strong e2g bands are seen in coronene. The band shape (rotational envelope) was significantly different in each e2g mode. It was shown that degenerate rotational levels were shifted and split by the Coriolis interaction. We calculated the Coriolis parameter using the molecular structure in the S1 state and the normal coordinate of each e2g vibrational mode, which were obtained by theoretical calculations. The calculated band shapes well reproduced the observed ones, suggesting that the isolated coronene molecule has D6h symmetry.
Liquid dynamics in partially crystalline glycerol
Authors: Sanz Alejandro , Niss Kristine
Published: January 2017

We present a dielectric study on the dynamics of supercooled glycerol during crystallization. We explore the transformation into a solid phase in real time by monitoring the temporal evolution of the amplitude of the dielectric signal. Neither the initial nucleation nor the crystal growth influences the liquid dynamics visibly. For one of the samples studied, a tiny fraction of glycerol remained in the disordered state after the end of the transition. We examined the nature of the α relaxation in this frustrated crystal and find that it is virtually identical to the bulk dynamics. In addition, we have found no evidence that supercooled glycerol transforms into a peculiar phase in which either a new solid amorphous state or nano-crystals dispersed in a liquid matrix are formed.
Electric spontaneous polarization in YbFe2O4
Authors: Nagata T. , Janolin P.-E. , Fukunaga M. , Roman B. , Fujiwara K. , Kimura H. , Kiat J.-M. , Ikeda N.
Published: January 2017

We report the observation of the electric spontaneous polarization in YbFe2O4, one candidate “electronic ferroelectric,” where ferroelectricity originates from the polar charge order. Though we have proposed that in LuFe2O4 polar charge ordering of iron ions having different valence states give rise to ferroelectricity, some reports questioned not only the electronic origin but also the existence of the ferroelectricity itself in this system. In response to this, we show a direct macroscopic evidence of the existence of the ferroelectricity by a clear P-E hysteresis loop of YbFe2O4 belonging to the same system as that of LuFe2O4. Although further investigations are required about the electronic origin, we report the direct observation of the macroscopic electric polarization.
Electronic structure and electron mobility in Si1– xGex nanowires
Authors: Mugny Gabriel , Li Jing , Triozon François , Niquet Yann-Michel , Rideau Denis , Delerue Christophe
Published: January 2017

We investigate the electronic structure and the electron mobility in Si1– xGex nanowires for relevant orientations (⟨001⟩, ⟨110⟩, and ⟨111⟩) and diameters up to 8 nm based on atomistic models. The calculation of the electronic structure with random distribution of alloy atoms is compared to the virtual crystal approximation. The electronic properties such as the effective mass and the character of the lowest conduction subband are linked with the strong variations of the phonon-limited electron mobility with varying Ge concentrations. The effect of alloy disorder on the mobility is also discussed.
Wide wavelength range tunable one-dimensional silicon nitride nano-grating guided mode resonance filter based on azimuthal rotation
Authors: Yukino Ryoji , Sahoo Pankaj K. , Sharma Jaiyam , Takamura Tsukasa , Joseph Joby , Sandhu Adarsh
Published: January 2017

We describe wavelength tuning in a one dimensional (1D) silicon nitride nano-grating guided mode resonance (GMR) structure under conical mounting configuration of the device. When the GMR structure is rotated about the axis perpendicular to the surface of the device (azimuthal rotation) for light incident at oblique angles, the conditions for resonance are different than for conventional GMR structures under classical mounting. These resonance conditions enable tuning of the GMR peak position over a wide range of wavelengths. We experimental demonstrate tuning over a range of 375 nm between 500 nm˜875 nm. We present a theoretical model to explain the resonance conditions observed in our experiments and predict the peak positions with show excellent agreement with experiments. Our method for tuning wavelengths is simpler and more efficient than conventional procedures that employ variations in the design parameters of structures or conical mounting of two-dimensional (2D) GMR structures and enables a single 1D GMR device to function as a high efficiency wavelength filter over a wide range of wavelengths. We expect tunable filters based on this technique to be applicable in a wide range of fields including astronomy and biomedical imaging.
Magnetocaloric effect of Gd-based microwires from binary to quaternary system
Authors: Wang Y. F. , Qin F. X. , Wang Y. H. , Wang H. , Das R. , Phan M. H. , Peng H. X.
Published: January 2017

We have studied the magnetocaloric effect (MCE) of Gd-based amorphous microwires from binary to quaternary system. We find that with increase of components from binary GdNi to ternary GdNiCo, there is a significant increase in magnetic entropy change (ΔSm) from 1.43 to 2.73 J⋅kg−1⋅K−1 and an increase of temperature interval from 90K to 115K; further comparison between the quaternary GdNiCoDy and ternary GdNiCo shows a continuing increase of temperature interval while retaining the similar ΔSm. Such an improvement of MCE can be ascribed to the enhancement of amorphicity with increasing number of components, which leads to the improved magnetic softness and homogeneity. The increase of the Curie temperature with increasing number of components also indicates the enhanced Ruderman–Kittel–Kasuya–Yosida (RKKY) magnetic interactions caused by the addition of alloying elements as comparing binary, ternary and quaternary system or by optimized composition in terms of such as Ni/Co ratio in a typical ternary system of GdNiCo. These results have demonstrated that appropriately designed Gd-based microwires are very useful for active magnetic refrigeration in the liquid nitrogen temperature regime.
Enhanced Hall effect in Co/Pd multilayered nanodomes with perpendicular anisotropy
Authors: Michea Sebastian , Oyarzún Simón , Vidal Sorach , Denardin Juliano C.
Published: January 2017

In this work, multilayers of Co/Pd with out of plane anisotropy have been deposited on the bottom of porous alumina membranes, forming nanodomes films with 100 and 200 nm diameter. The magnetization reversal of the multilayers is investigated by magnetization curves, extraordinary Hall effect and magnetic force microscopy (MFM) experiments. The results show that as the pore diameter increase, a larger hall resistivity is obtained, compared with the continuous film.
Parity and grazing-time effects on milk fatty acid profile in dairy cows
Authors: Morales-Almaráz E. , de la Roza-Delgado B. , Soldado A. , Martínez-Fernández A. , González A. , Domínguez-Vara I. A. , Vicente Fernando
Published: January 2017

Milk fatty acid (FA) profiles of lactating Holstein dairy cows were determined to evaluate the effects of parity (primiparous or multiparous) and the grazing time (0, 6 and 12 h), complementary to a total mixed ration, in a 2 × 3 factorial design. The interaction of parity with grazing time did not affect milk production and protein content; however, dry matter intake of herbage, total dry matter intake and milk fat content were affected by the interaction (P < 0.05). Both factors affected the milk concentration of monounsaturated FAs. The 18 : 3 cis9 cis12, 18 : 2 cis9 trans11, and 18 : 3 cis9 cis12 cis15 concentrations in milk were higher (P < 0.05) in primiparous cows. Milk 18 : 2 cis9 trans11 concentration in primiparous cows with 12 h grazing (1.17 g/100 g FA) was 44% and 57% higher than with 6 h and 0 h grazing (0.66 and 0.50 g/100 g FA, respectively). Similar pattern was observed for 18 : 3 cis9 cis12 cis15. The milk 18 : 1 trans11 concentration was higher (P < 0.05) with 6 h and 12 h grazing than without grazing. In conclusion, the parity would appear to mainly affect the proportion of short-chain FAs, and had an important influence on the proportions of 18 : 2 cis9 trans11, and 18 : 3 cis9 cis12 cis15. These FAs and also 18 : 1 trans11 were modified by grazing time.
Effect of incorporating fungal-media residue in bedding on domestic-pig growth performance and welfare in winter
Authors: Sheng Qingkai , Liu Junzhen , Han Hong , Han Jiandong , Wan Luzhang
Published: January 2017

Bedding materials significantly affect the health and growth performance of domestic pigs. The residue media from mushroom cultivation has potential as pig bedding because of its nutrient content for microbes and low cost. However, its components and granularity are heterogeneous. The present study investigated the effect of beddings containing fungal-residue media on the growth performance, stress response, thermoregulatory behaviour and general welfare of domestic pigs. During winter, 96 pigs were tested in a 2 × 4 factorial experiment involving fungal-residue media from production of Flammulina velutipes or Pleurotus eryngii, each added at rates of 0%, 15%, 45% or 60% of bedding that otherwise consisted of sawdust, rice husks, corn flour and Bacillus subtilis. After 98 days, growth factors and biomarkers of stress were analysed, and the condition of the bedding materials was examined. Fungal residues from either source, as 45% of bedding material, were associated with higher growth performance, lower stress, less huddling and higher immunity of pigs. Beddings with 45% fungal-media residues were also warmer, with lower levels of odorous chemicals, and higher numbers of beneficial microbes. No significant difference was observed between the two residue sources. Higher (60%) or lower (15%) concentrations of residue in beddings caused minor or insignificant improvements. In summary, bedding consisting of 45% fungal-residue media can improve the growth performance and welfare of domestic pigs during winter and is safe to promote.
Early mother–young relationship and feeding behaviour of lambs are unaffected by low pasture allowance until the beginning of the last third of gestation in single-bearing ewes
Authors: Freitas-de-Melo A. , Ungerfeld R. , Orihuela A. , Hötzel M. J. , Pérez-Clariget R.
Published: January 2017

Nutrition during gestation influences ewes’ bodyweight (BW), the bond with their lamb, milk yield and lamb development, and thus feeding behaviour of lambs during postnatal rearing. The aim of this study was to determine if the level of native pasture allowance from before conception until the beginning of the last third of gestation of single-bearing ewes influences the ewe–lamb relationship at birth and the feeding behaviour of lambs during postnatal rearing. A second aim was to determine whether the nutritional treatments affect ewes’ milk yield and their lambs’ bodyweight. Eleven multiparous Corriedale ewes grazed a high pasture allowance [10–12 kg of dry matter (DM)/100 kg of BW/day; HPA treatment], and another 11 grazed a low pasture allowance (5–8 kg of DM/100 kg of BW/day; LPA treatment) for 145 days beginning 40 days before conception. After the end of this treatment all ewes grazed on Festuca arundinacea and received rice bran and crude glycerine until 3 days before birth. Ewes’ BW was recorded monthly before and during gestation. Latency from parturition until the ewe licked her lamb, latency for lamb to stand up and suckle were recorded, and Maternal Behaviour Score was determined 12–24 h after birth. All the variables recorded during postpartum were determined approximately every 30 days. Grazing, ruminating and suckling events of the lambs were recorded from Day 23 until 142 days of age. Milk yield was determined from 32 until 140 days after lambing. Lambs’ BW was recorded from birth until 140 days of age. On Day 41 the BW change tended to be greater in HPA ewes than in LPA ewes, and on Days 79 and 105 it was greater in HPA ewes than LPA ewes (P = 0.006 and P = 0.005 respectively). Treatments did not affect the behaviours at birth of ewes and lambs, milk yield, ruminating and suckling events of lambs, ewes’ and lambs’ BW. The lambs from HPA ewes tended to present a greater frequency of grazing than the LPA lambs. Different levels of native pasture allowances from before conception until the last third of gestation in single-bearing ewes, followed by an increase in nutrient supply, did not affect ewe–lamb behaviours at birth, milk yield, lambs’ growth, and their feeding behaviours during rearing.
Mapping of genome-wide copy number variations in the Iranian indigenous cattle using a dense SNP data set
Authors: Karimi K. , Esmailizadeh A. , Wu D. D. , Gondro C.
Published: January 2017

The objective of this study was to present the first map of the copy number variations (CNVs) in Iranian indigenous cattle based on a high-density single nucleotide polymorphism (SNP) dataset. A total of 90 individuals were genotyped using the Illumina BovineHD BeadChip containing 777 962 SNPs. The QuantiSNP algorithm was used to perform a genome-wide CNV detection across autosomal genome. After merging the overlapping CNV, a total of 221 CNV regions were identified encompassing 36.4 Mb or 1.44% of the bovine autosomal genome. The length of the CNV regions ranged from 3.5 to 2252.8 Kb with an average of 163.8 Kb. These regions included 147 loss (66.52%) and 74 gain (33.48%) events containing a total of 637 annotated Ensembl genes. Gene ontology analysis revealed that most of genes in the CNV regions were involved in environmental responses, disease susceptibility and immune system functions. Furthermore, 543 of these genes corresponded to the human orthologous genes, which involved in a wide range of biological functions. Altogether, 73% of the 221 CNV regions overlapped either completely or partially with those previously reported in other cattle studies. Moreover, novel CNV regions involved several quantitative trait loci (QTL)-related to adaptative traits of Iranian indigenous cattle. These results provided a basis to conduct future studies on association between CNV regions and phenotypic variations in the Iranian indigenous cattle.
Using temporal associations to determine maternal parentage in extensive beef herds
Authors: Menzies D. , Patison K. P. , Corbet N. J. , Swain D. L.
Published: January 2017

The assignment of maternal parentage, although time-consuming and expensive using traditional methods, is essential for genetic improvement. Within the sheep industry the recording of time-based (temporal) associations without human intervention has been routinely used to derive maternal parentage, however it has not been researched in extensive beef production systems. To determine whether temporal associations could be used to assign maternal parentage, cows and calves had their identity recorded as they walked to water over a 27-day trial. Two methods of association were investigated, being the half-weight index and the time difference between a cow and calf having their identity recorded. The half-weight index, which is a measure of the number of times two individuals are recorded together, correctly assigned greater than 90% of maternal pairs. When investigating the duration of data recording it was shown that 85% of maternal parentage could be achieved within only 21 days. Further work is required to determine the effect of calf age, herd and paddock size; however, the results showed that the half-weight index method of determining maternal associations is a labour-saving and accurate alternative to traditional methods used to identify maternal parentage.
The effect of cow-level factors on colostrum quality, passive immunity and health of neonatal calves in a pasture-based dairy operation
Authors: Mulder Riaan , Fosgate Geoffrey T. , Tshuma Takula , Lourens Dirk C.
Published: January 2017

A study of 95 cows (19 primiparous and 76 multiparous) and their offspring was performed on a pasture-based dairy in the coastal region of South Africa. Collected data included weight changes during the dry period, colostrum immunoglobulin G (IgG) and calf serum IgG at 24–48 h after birth. Colostrum and serum IgG concentrations were measured using radial immunodiffusion and colostrum was regarded as having adequate IgG concentration if the amount was ≥50 g/L. Calf serum IgG concentration of ≥10 g/L was considered an adequate transfer of passive immunity. The median (range in parentheses) colostrum quality for cows with weight loss during the dry period was 23.1 g/L (9.0, 108.1) compared with 61.9 g/L (10.9, 200.0) in cows without weight loss. The median serum IgG of calves from cows with weight loss was 9.9 g/L (0.5, 44.6) compared with 14.0 g/L (0.5, 76.3) in calves from cows that did not lose weight during the dry period. Cows experiencing weight loss were four times more likely to have colostrum with lower concentrations of IgG (OR = 0.25; 95% CI, 0.07–0.88; P = 0.030). Lactation number was also significantly associated with colostrum IgG concentration (P < 0.001), with younger cows tending to have higher IgG concentrations. Failure of passive transfer did not have a significant effect on any calf-health or production variables measured in the study. The effect of dry-cow feeding on colostrum IgG concentration is poorly understood and inadequate pasture management could have an impact on colostrum quality in pasture-based dairy herds.
Subtropical native grasslands may not require fire, mowing or grazing to maintain native-plant diversity
Authors: Fensham Roderick J. , Butler Donald W. , Laffineur Boris , MacDermott Harry J. , Morgan John W. , Silcock Jennifer L.
Published: January 2017

The rarity of native grasslands in agricultural districts heightens the requirement for optimal management to maintain diversity. Previous studies have suggested that disturbance is required to maintain species diversity in temperate Australian grasslands, but grasslands in semiarid environments do not have the same disturbance requirement. The current study examines the short-term responses to disturbance of subtropical grassland of the Darling Downs, south-eastern Queensland. We also compare temperate and subtropical grasslands in terms of biomass and rainfall. A field experiment was established with treatments, including burning in 2013, burning in 2014, burning in both years, mowing in both years, mowing and raking in both years, and an undisturbed control. Treatments were replicated at each of seven sampling stations in similar environments. The initial sampling after 2013 followed a wet summer and the final sampling was in 2015 after a dry summer. Non-metric multi-dimensional scaling showed that environmental differences, including silt content, soil pH, waterlogging and rainfall history, had more effect on the variation in species composition than did the treatments. The treatments engendered no significant response in species diversity. Of 51 widespread species, only four had a significant change in abundance in response to treatment. Herbaceous biomass was higher in temperate than subtropical grassland after a dry period. The grassland sward may be more open in the subtropics than in temperate grassland because of higher decomposition rates. A comparison of rainfall distribution between subtropical grassland and temperate grassland indicated that droughts are much more frequent in the former environments. These occasional droughts may provide a stress that reduces perennial grass cover, supplanting the requirement for grazing or fire to maintain plant diversity in grasslands. The management of grassland remnants in the subtropics, therefore, seems straightforward because there is little response in species richness or composition to disturbance. However, soil disturbance should be avoided to ensure that exotic species do not proliferate.