bluuebunny/crossref_metadata_2025 huggingface dataset:
Integration of photonic nanojets and semiconductor nanoparticles for enhanced all-optical switching
Authors: Born Brandon , Krupa Jeffrey D. A. , Geoffroy-Gagnon Simon , Holzman Jonathan F.
Published: August 2015

All-optical switching is the foundation of emerging all-optical (terabit-per-second) networks and processors. All-optical switching has attracted considerable attention, but it must ultimately support operation with femtojoule switching energies and femtosecond switching times to be effective. Here we introduce an all-optical switch architecture in the form of a dielectric sphere that focuses a high-intensity photonic nanojet into a peripheral coating of semiconductor nanoparticles. Milli-scale spheres coated with Si and SiC nanoparticles yield switching energies of 200 and 100 fJ with switching times of 10 ps and 350 fs, respectively. Micro-scale spheres coated with Si and SiC nanoparticles yield switching energies of 1 pJ and 20 fJ with switching times of 2 ps and 270 fs, respectively. We show that femtojoule switching energies are enabled by localized photoinjection from the photonic nanojets and that femtosecond switching times are enabled by localized recombination within the semiconductor nanoparticles.
Robust light transport in non-Hermitian photonic lattices
Authors: Longhi Stefano , Gatti Davide , Valle Giuseppe Della
Published: August 2015

Combating the effects of disorder on light transport in micro- and nano-integrated photonic devices is of major importance from both fundamental and applied viewpoints. In ordinary waveguides, imperfections and disorder cause unwanted back-reflections, which hinder large-scale optical integration. Topological photonic structures, a new class of optical systems inspired by quantum Hall effect and topological insulators, can realize robust transport via topologically-protected unidirectional edge modes. Such waveguides are realized by the introduction of synthetic gauge fields for photons in a two-dimensional structure, which break time reversal symmetry and enable one-way guiding at the edge of the medium. Here we suggest a different route toward robust transport of light in lower-dimensional (1D) photonic lattices, in which time reversal symmetry is broken because of the non-Hermitian nature of transport. While a forward propagating mode in the lattice is amplified, the corresponding backward propagating mode is damped, thus resulting in an asymmetric transport insensitive to disorder or imperfections in the structure. Non-Hermitian asymmetric transport can occur in tight-binding lattices with an imaginary gauge field via a non-Hermitian delocalization transition and in periodically-driven superlattices. The possibility to observe non-Hermitian delocalization is suggested using an engineered coupled-resonator optical waveguide (CROW) structure.
Peculiarity of Two Thermodynamically-Stable Morphologies and Their Impact on the Efficiency of Small Molecule Bulk Heterojunction Solar Cells
Authors: Herath Nuradhika , Das Sanjib , Keum Jong K. , Zhu Jiahua , Kumar Rajeev , Ivanov Ilia N. , Sumpter Bobby G. , Browning James F. , Xiao Kai , Gu Gong , Joshi Pooran , Smith Sean , Lauter Valeria
Published: August 2015

Structural characteristics of the active layers in organic photovoltaic (OPV) devices play a critical role in charge generation, separation and transport. Here we report on morphology and structural control of p-DTS(FBTTh2)2:PC71BM films by means of thermal annealing and 1,8-diiodooctane (DIO) solvent additive processing and correlate it to the device performance. By combining surface imaging with nanoscale depth-sensitive neutron reflectometry (NR) and X-ray diffraction, three-dimensional morphologies of the films are reconstituted with information extending length scales from nanometers to microns. DIO promotes the formation of a well-mixed donor-acceptor vertical phase morphology with a large population of small p-DTS(FBTTh2)2 nanocrystals arranged in an elongated domain network of the film, thereby enhancing the device performance. In contrast, films without DIO exhibit three-sublayer vertical phase morphology with phase separation in agglomerated domains. Our findings are supported by thermodynamic description based on the Flory-Huggins theory with quantitative evaluation of pairwise interaction parameters that explain the morphological changes resulting from thermal and solvent treatments. Our study reveals that vertical phase morphology of small-molecule based OPVs is significantly different from polymer-based systems. The significant enhancement of morphology and information obtained from theoretical modeling may aid in developing an optimized morphology to enhance device performance for OPVs.
Superfluidity and Chaos in low dimensional circuits
Authors: Arwas Geva , Vardi Amichay , Cohen Doron
Published: August 2015

The hallmark of superfluidity is the appearance of “vortex states” carrying a quantized metastable circulating current. Considering a unidirectional flow of particles in a ring, at first it appears that any amount of scattering will randomize the velocity, as in the Drude model and eventually the ergodic steady state will be characterized by a vanishingly small fluctuating current. However, Landau and followers have shown that this is not always the case. If elementary excitations (e.g. phonons) have higher velocity than that of the flow, simple kinematic considerations imply metastability of the vortex state: the energy of the motion cannot dissipate into phonons. On the other hand if this Landau criterion is violated the circulating current can decay. Below we show that the standard Landau and Bogoliubov superfluidity criteria fail in low-dimensional circuits. Proper determination of the superfluidity regime-diagram must account for the crucial role of chaos, an ingredient missing from the conventional stability analysis. Accordingly, we find novel types of superfluidity, associated with irregular or chaotic or breathing vortex states.
Efficient and accurate treatment of electron correlations with Correlation Matrix Renormalization theory
Authors: Yao Y. X. , Liu J. , Liu C. , Lu W. C. , Wang C. Z. , Ho K. M.
Published: August 2015

We present an efficient method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to the evaluation of the expectation values of two particle operators in the many-electron Hamiltonian. The method is free of adjustable Coulomb parameters and has no double counting issues in the calculation of total energy and has the correct atomic limit. We demonstrate that the method describes well the bonding and dissociation behaviors of the hydrogen and nitrogen clusters, as well as the ammonia composed of hydrogen and nitrogen atoms. We also show that the method can satisfactorily tackle great challenging problems faced by the density functional theory recently discussed in the literature. The computational workload of our method is similar to the Hartree-Fock approach while the results are comparable to high-level quantum chemistry calculations.
The inhibitory effects of AR/miR-190a/YB-1 negative feedback loop on prostate cancer and underlying mechanism
Authors: Xu Shaohua , Wang Tao , Song Wen , Jiang Tao , Zhang Feng , Yin Yu , Jiang Shi-Wen , Wu Kongming , Yu Zuoren , Wang Chenguang , Chen Ke
Published: August 2015

Prostate cancer at advanced stages including metastatic and castration-resistant cancer remains incurable due to the lack of effective therapies. MiR-190a belongs to the small noncoding RNA family and has an important role in breast cancer metastasis. However, it is still unknown whether miR-190a plays a role in prostate cancer development. Herein, we first observed AR/miR-190a/YB-1 forms an auto-regulatory negative feedback loop in prostate cancer: miR-190a expression was down-regulated by AR activation; YB-1 functions are as an AR activator; miR-190a inhibited AR expression and transactivation through direct binding to 3′UTR of YB-1 gene. MiR-190a contributes the human prostate cancer cell growth through AR-dependent signaling. Moreover, we examined the expression of miR-190a and observed a significant decrease in human prostate cancers. Reduced expression of miR-190a was inversely correlated to AR levels of prostate cancer patients and patients with higher miR-190a expression in their tumor have improved tumor-free survival. Taken together, our findings identified a biochemical and functional link between miR-190a with reduced expression in advanced prostate cancer, YB-1 and AR signaling in prostate cancer.
Ultrafast time-resolved electron diffraction revealing the nonthermal dynamics of near-UV photoexcitation-induced amorphization in Ge2Sb2Te5
Authors: Hada Masaki , Oba Wataru , Kuwahara Masashi , Katayama Ikufumi , Saiki Toshiharu , Takeda Jun , Nakamura Kazutaka G.
Published: August 2015

Because of their robust switching capability, chalcogenide glass materials have been used for a wide range of applications, including optical storages devices. These phase transitions are achieved by laser irradiation via thermal processes. Recent studies have suggested the potential of nonthermal phase transitions in the chalcogenide glass material Ge2Sb2Te5 triggered by ultrashort optical pulses; however, a detailed understanding of the amorphization and damage mechanisms governed by nonthermal processes is still lacking. Here we performed ultrafast time-resolved electron diffraction and single-shot optical pump-probe measurements followed by femtosecond near-ultraviolet pulse irradiation to study the structural dynamics of polycrystalline Ge2Sb2Te5. The experimental results present a nonthermal crystal-to-amorphous phase transition of Ge2Sb2Te5 initiated by the displacements of Ge atoms. Above the fluence threshold, we found that the permanent amorphization caused by multi-displacement effects is accompanied by a partial hexagonal crystallization.
Single Shot Polarization Characterization of XUV FEL Pulses from Crossed Polarized Undulators
Authors: Ferrari E. , Allaria E. , Buck J. , De Ninno G. , Diviacco B. , Gauthier D. , Giannessi L. , Glaser L. , Huang Z. , Ilchen M. , Lambert G. , Lutman A. A. , Mahieu B. , Penco G. , Spezzani C. , Viefhaus J.
Published: August 2015

Polarization control is a key feature of light generated by short-wavelength free-electron lasers. In this work, we report the first experimental characterization of the polarization properties of an extreme ultraviolet high gain free-electron laser operated with crossed polarized undulators. We investigate the average degree of polarization and the shot-to-shot stability and we analyze aspects such as existing possibilities for controlling and switching the polarization state of the emitted light. The results are in agreement with predictions based on Gaussian beams propagation.
Real-time terahertz digital holography with a quantum cascade laser
Authors: Locatelli Massimiliano , Ravaro Marco , Bartalini Saverio , Consolino Luigi , Vitiello Miriam S. , Cicchi Riccardo , Pavone Francesco , De Natale Paolo
Published: August 2015

Coherent imaging in the THz range promises to exploit the peculiar capabilities of these wavelengths to penetrate common materials like plastics, ceramics, paper or clothes with potential breakthroughs in non-destructive inspection and quality control, homeland security and biomedical applications. Up to now, however, THz coherent imaging has been limited by time-consuming raster scanning, point-like detection schemes and by the lack of adequate coherent sources. Here, we demonstrate real-time digital holography (DH) at THz frequencies exploiting the high spectral purity and the mW output power of a quantum cascade laser combined with the high sensitivity and resolution of a microbolometric array. We show that, in a one-shot exposure, phase and amplitude information of whole samples, either in reflection or in transmission, can be recorded. Furthermore, a 200 times reduced sensitivity to mechanical vibrations and a significantly enlarged field of view are observed, as compared to DH in the visible range. These properties of THz DH enable unprecedented holographic recording of real world dynamic scenes.
Enhancing Tabletop X-Ray Phase Contrast Imaging with Nano-Fabrication
Authors: Miao Houxun , Gomella Andrew A. , Harmon Katherine J. , Bennett Eric E. , Chedid Nicholas , Znati Sami , Panna Alireza , Foster Barbara A. , Bhandarkar Priya , Wen Han
Published: August 2015

X-ray phase-contrast imaging is a promising approach for improving soft-tissue contrast and lowering radiation dose in biomedical applications. While current tabletop imaging systems adapt to common x-ray tubes and large-area detectors by employing absorptive elements such as absorption gratings or monolithic crystals to filter the beam, we developed nanometric phase gratings which enable tabletop x-ray far-field interferometry with only phase-shifting elements, leading to a substantial enhancement in the performance of phase contrast imaging. In a general sense the method transfers the demands on the spatial coherence of the x-ray source and the detector resolution to the feature size of x-ray phase masks. We demonstrate its capabilities in hard x-ray imaging experiments at a fraction of clinical dose levels and present comparisons with the existing Talbot-Lau interferometer and with conventional digital radiography.
Mathematical Modelling and Prediction of the Effect of Chemotherapy on Cancer Cells
Authors: Namazi Hamidreza , Kulish Vladimir V. , Wong Albert
Published: August 2015

Cancer is a class of diseases characterized by out-of-control cells’ growth which affect DNAs and make them damaged. Many treatment options for cancer exist, with the primary ones including surgery, chemotherapy, radiation therapy, hormonal therapy, targeted therapy and palliative care. Which treatments are used depends on the type, location and grade of the cancer as well as the person’s health and wishes. Chemotherapy is the use of medication (chemicals) to treat disease. More specifically, chemotherapy typically refers to the destruction of cancer cells. Considering the diffusion of drugs in cancer cells and fractality of DNA walks, in this research we worked on modelling and prediction of the effect of chemotherapy on cancer cells using Fractional Diffusion Equation (FDE). The employed methodology is useful not only for analysis of the effect of special drug and cancer considered in this research but can be expanded in case of different drugs and cancers.
Spatial differentiation of gene expression in Aspergillus niger colony grown for sugar beet pulp utilization
Authors: Benoit Isabelle , Zhou Miaomiao , Vivas Duarte Alexandra , Downes Damien J. , Todd Richard B. , Kloezen Wendy , Post Harm , Heck Albert J. R. , Maarten Altelaar A. F. , de Vries Ronald P.
Published: August 2015

Degradation of plant biomass to fermentable sugars is of critical importance for the use of plant materials for biofuels. Filamentous fungi are ubiquitous organisms and major plant biomass degraders. Single colonies of some fungal species can colonize massive areas as large as five soccer stadia. During growth, the mycelium encounters heterogeneous carbon sources. Here we assessed whether substrate heterogeneity is a major determinant of spatial gene expression in colonies ofAspergillus niger. We analyzed whole-genome gene expression in five concentric zones of 5-day-old colonies utilizing sugar beet pulp as a complex carbon source. Growth, protein production and secretion occurred throughout the colony. Genes involved in carbon catabolism were expressed uniformly from the centre to the periphery whereas genes encoding plant biomass degrading enzymes and nitrate utilization were expressed differentially across the colony. A combined adaptive response of carbon-catabolism and enzyme production to locally available monosaccharides was observed. Finally, our results demonstrate thatA. nigeremploys different enzymatic tools to adapt its metabolism as it colonizes complex environments.
Electromagnetically Induced Entanglement
Authors: Yang Xihua , Xiao Min
Published: August 2015

Quantum entanglement provides an essential resource for quantum computation, quantum communication and quantum network. How to conveniently and efficiently produce entanglement between bright light beams presents a challenging task to build realistic quantum information processing networks. Here, we present an efficient and convenient way to realize a novel quantum phenomenon, named electromagnetically induced entanglement, in the conventional Λ-type three-level atomic system driven by a strong pump field and a relatively weak probe field. Nearly perfect entanglement between the two fields can be achieved with a low coherence decay rate between the two lower levels, high pump-field intensity and large optical depth of the atomic ensemble. The physical origin is quantum coherence between the lower doublet produced by the pump and probe fields, similar to the well-known electromagnetically induced transparency. This method would greatly facilitate the generation of nondegenerate narrow-band continuous-variable entanglement between bright light beams by using only coherent laser fields and may find potential and broad applications in realistic quantum information processing.
Do Shale Pore Throats Have a Threshold Diameter for Oil Storage?
Authors: Zou Caineng , Jin Xu , Zhu Rukai , Gong Guangming , Sun Liang , Dai Jinxing , Meng Depeng , Wang Xiaoqi , Li Jianming , Wu Songtao , Liu Xiaodan , Wu Juntao , Jiang Lei
Published: August 2015

In this work, a nanoporous template with a controllable channel diameter was used to simulate the oil storage ability of shale pore throats. On the basis of the wetting behaviours at the nanoscale solid-liquid interfaces, the seepage of oil in nano-channels of different diameters was examined to accurately and systematically determine the effect of the pore diameter on the oil storage capacity. The results indicated that the lower threshold for oil storage was a pore throat of 20 nm, under certain conditions. This proposed pore size threshold provides novel, evidence-based criteria for estimating the geological reserves, recoverable reserves and economically recoverable reserves of shale oil. This new understanding of shale oil processes could revolutionize the related industries.
Distribution of Pharmaceutical Residues in the Environment
Authors: Roig Benoit , D’Aco Vince
Published: August 2015

The presence of pharmaceutical products in the environment has become a topic of great interest, motivating numerous studies worldwide. This chapter highlights the levels of pharmaceutical compounds found in the different environmental compartments (waters, ground waters, drinking water, sewage sludge, soil, sediment and biota). The use of occurrence data is discussed and modelling presented to complement monitoring campaigns in the assessment of priority and risk assessment.
A FRET-based ratiometric fluorescent aptasensor for rapid and onsite visual detection of ochratoxin A
Authors: Qian Jing , Wang Kan , Wang Chengquan , Hua Mengjuan , Yang Zhenting , Liu Qian , Mao Hanping , Wang Kun
Published: August 2015

A FRET-based ratiometric fluorescent aptasensor for OTA was developed via a dual mode of fluorescent sensing and onsite visual screening.
Sensitive and simple detection of trace hydrogen peroxide based on a resonance light scattering assay
Authors: Tang Ningli , Shan Yaqi , Zhang Ronghui , Meng Xinglong
Published: August 2015

A new method for the resonance light scattering determination of hydrogen peroxide has been developed, and the optimum reaction conditions, influential factors and applications were investigated.
Quantifying vitamin D and its metabolites by LC/Orbitrap MS
Authors: Raml Reingard , Ratzer Maria , Obermayer-Pietsch Barbara , Mautner Anton , Pieber Thomas R. , Sinner Frank M. , Magnes Christoph
Published: August 2015

We developed a HPLC-HRMS method for the determination of 25(OH)D2, 25(OH)D3, epi-25(OH)D3, and vitamins D2and D3as well as 24,25(OH)2D3.
Electrochemical sensing using boronic acids
Authors: Li Meng , Zhu Weihong , Marken Frank , James Tony D.
Published: August 2015

Boronic acids can bind with 1,2- or 1,3-diols to form five or six-membered cyclic complexes and also can interact with Lewis bases to generate boronate anions, making them suitable for the electrochemical sensing of these species
Assessing the effect of different shapes of glyco-gold nanoparticles on bacterial adhesion and infections
Authors: Chaudhary Preeti Madhukar , Sangabathuni Sivakoti , Murthy Raghavendra Vasudeva , Paul Ajay , Thulasiram Hirekodathakallu V. , Kikkeri Raghavendra
Published: August 2015

Different shapes of glyco gold nanoparticles (AuNPs) tune the bacterial aggregations, which can effectively inhibit the bacterial infection of cells.
Construction of a porous three dimensional rare earth metal–sulfur–ligand open framework
Authors: Xu Jin , Liu Ting , Han Xiaohui , Wang Shanshan , Liu Dan , Wang Cheng
Published: August 2015

By using piperazine-1,4-dicarbodithiolate (pipzdtc2−) as the organic linker and the Nd3+ cation as the inorganic motif, a 3D rare earth metal–sulfur–ligand MOF with one-dimensional channels was obtained.
Romanechite-structured Na0.31MnO1.9 nanofibers as high-performance cathode material for a sodium-ion battery
Authors: Li Jin-Yue , Wu Xing-Long , Zhang Xiao-Hua , Lü Hong-Yan , Wang Guang , Guo Jin-Zhi , Wan Fang , Wang Rong-Shun
Published: August 2015

A new SIB cathode composed of Na0.31MnO1.9 nanofibers can deliver a Na storage capacity of >100 mA h g−1 at 0.2C with superior properties.
Steric C–N bond activation on the dimeric macrocycle [{P(μ-NR)}2(μ-NR)]2
Authors: Shi Yan X. , Liang Rong Z. , Martin Katherine A. , Star Daniel G. , Díaz Jesús , Li Xin Y. , Ganguly Rakesh , García Felipe
Published: August 2015

The dimeric macrocyclophosphazane [{P(μ-NtBu)}2(μ-NtBu)]2 ( 1) was reacted with elemental selenium. An unexpected C–N cleavage reaction occurred producing P4(μ-NtBu)3(μ-NH)3Se4 ( 2). The C–N bond cleavage is driven by the high steric ring strain present within the ring.
Betti reaction enables efficient synthesis of 8-hydroxyquinoline inhibitors of 2-oxoglutarate oxygenases
Authors: Thinnes C. C. , Tumber A. , Yapp C. , Scozzafava G. , Yeh T. , Chan M. C. , Tran T. A. , Hsu K. , Tarhonskaya H. , Walport L. J. , Wilkins S. E. , Martinez E. D. , Müller S. , Pugh C. W. , Ratcliffe P. J. , Brennan P. E. , Kawamura A. , Schofield C. J.
Published: August 2015

A Betti reaction was used for efficient generation of 2OG oxygenase inhibitors, including for KDM4 demethylases.
The facile fabrication of few-layer graphene and graphite nanosheets by high pressure homogenization
Authors: Shang Jingqi , Xue Feng , Ding Enyong
Published: August 2015

Few-layer graphene and graphite nanosheets were prepared by high pressure homogenization.
Phosphonium salt incorporated hypercrosslinked porous polymers for CO2 capture and conversion
Authors: Wang Jinquan , Wei Yang Jason Gan , Yi Guangshun , Zhang Yugen
Published: August 2015

Hypercrosslinked porous phosphonium polymers for selective CO2 capture and conversion.
A novel 3D covalent organic framework membrane grown on a porous α-Al2O3 substrate under solvothermal conditions
Authors: Lu Hui , Wang Chang , Chen Juanjuan , Ge Rile , Leng Wenguang , Dong Bin , Huang Jun , Gao Yanan
Published: August 2015

A compact and uniform 3D COF-320 membrane with a layer thickness of ∼4 μm was grown on a porous α-Al2O3 ceramic substrate.
Formation of uniformly sized metal oxide nanocuboids in the presence of precursor grains in an apolar medium
Authors: Nakagawa Yoshitaka , Kageyama Hiroyuki , Matsumoto Riho , Oaki Yuya , Imai Hiroaki
Published: August 2015

Oriented attachment of Mn3O4 primary particles covered with oleic acid was found to occur in an organic medium. Faceted nanocuboids were produced through oriented attachment and subsequent crystallographic fusion.
Challenges in preparing, preserving and detecting para-water in bulk: overcoming proton exchange and other hurdles
Authors: Mammoli Daniele , Salvi Nicola , Milani Jonas , Buratto Roberto , Bornet Aurélien , Sehgal Akansha Ashvani , Canet Estel , Pelupessy Philippe , Carnevale Diego , Jannin Sami , Bodenhausen Geoffrey
Published: August 2015

Para-water is an analogue of para-hydrogen, where the two proton spins are in a quantum state that is antisymmetric under permutation, also known as singlet state.
The oxidation of copper catalysts during ethylene epoxidation
Authors: Greiner M. T. , Jones T. E. , Johnson B. E. , Rocha T. C. R. , Wang Z. J. , Armbrüster M. , Willinger M. , Knop-Gericke A. , Schlögl R.
Published: August 2015

This article investigates the corrosion of copper catalysts under epoxidation conditions usingin situXPS and SEM.
Synthesis and investigation of intra-molecular charge transfer state properties of novel donor–acceptor–donor pyridine derivatives: the effects of temperature and environment on molecular configurations and the origin of delayed fluorescence
Authors: Aydemir Murat , Haykır Gülçin , Türksoy Figen , Gümüş Selçuk , Dias Fernando B. , Monkman Andy P.
Published: August 2015

A novel series of D–A–D pyridine derivatives were synthesised and detailed photo-physical investigations were made at varying temperatures.
Ti/ZnO–MxOy composites (M = Al, Cr, Fe, Ce): synthesis, characterization and application as highly efficient photocatalysts for hexachlorobenzene degradation
Authors: Xia Shengjie , Shao Mengmeng , Zhou Xiaobo , Pan Guoxiang , Ni Zheming
Published: August 2015

A series of novel organic–inorganic nanoscale layered materials were synthesized by intercalating the Ti-containing Schiff base complex into the interlayer of the ZnM layered double hydroxides (LDHs, M = Al, Cr, Fe, Ce).
Optical spectroscopy coupled with mass spectrometry methods
Authors: Zehnacker Anne
Published: August 2015

This themed issue reports on recent progress in the fast developing field of spectroscopy of ions by means of mass spectrometry coupled with optical spectroscopy. It focuses on both the experimental and theoretical aspects of this topic.
Direct synthesis of hydrogen peroxide from hydrogen and oxygen over activated-carbon-supported Pd–Ag alloy catalysts
Authors: Gu Junjie , Wang Suli , He Zhiyuan , Han You , Zhang Jinli
Published: August 2015

A series of bimetallic PdAg catalysts on an activated carbon support were prepared for the direct synthesis of hydrogen peroxide from hydrogen and oxygen. The addition of Ag to Pd caused an increase in selectivity due to ensemble and electronic effects.
In situ microcalorimetry study of ZnFe2O4 nanoparticle formation under solvothermal conditions
Authors: Liu Jun , Nan Zhaodong , Gao Shengli
Published: August 2015

In situ microcalorimetry is used to investigate the formation mechanism for the solvothermal method, where ZnFe2O4 nanoparticles synthesized via a one-step solvothermal method are selected as the model sample.
On the energetics of P–P bond dissociation of sterically strained tetraamino-diphosphanes
Authors: Blum M. , Puntigam O. , Plebst S. , Ehret F. , Bender J. , Nieger M. , Gudat D.
Published: August 2015

Thermochemical data for the homolytic P–P bond fission in tetraaminodiphosphanes (R2N)2P–P(NR2)2 were determined experimentally and computationally. The results confirm that radical formation is favoured by entropic and structural relaxation effects, and disfavoured by dispersion forces. Unlike aminophosphenium cations, the radicals display no strong preference for a planar (R2N)2P unit.
Efficient catalytic hydrotreatment of Kraft lignin to alkylphenolics using supported NiW and NiMo catalysts in supercritical methanol
Authors: Narani Anand , Chowdari Ramesh Kumar , Cannilla Catia , Bonura Giuseppe , Frusteri Francesco , Heeres Hero Jan , Barta Katalin
Published: August 2015

Efficient catalytic hydrotreatment of Kraft lignin to yield aromatic monomers was demonstrated in supercritical methanol using a variety of NiW and NiMo catalysts on acidic, basic and neutral supports.
Gold nanoparticle modified magnetic fibrous silica microspheres as a highly efficient and recyclable catalyst for the reduction of 4-nitrophenol
Authors: Dong Zhengping , Yu Guiqin , Le Xuanduong
Published: August 2015

Au nanoparticles were immobilized on magnetic fibrous silica microspheres as highly active and recyclable nanocatalysts for the catalytic reduction of 4-nitrophenol to 4-aminophenol.
A highly selective colorimetric and “Off–On” fluorescent chemosensor for fluoride ions and its application as a molecular-scale logic device
Authors: Yan GuoTao , Li Hui , Zhu Yuan Rong , Shi BingBing , Qu Wenjuan , Lin Qi , Yao Hong , Zhang YouMing , Wei TaiBao
Published: August 2015

A new sensor based on phenolic hydroxy and imine groups was used as an efficient colorimetric and “turn on” fluorescent sensor, which exhibited high selectivity and sensitivity for F−.
Electrochemical sensors based on multi-walled nanotubes for investigating the damage and action of 6-mercaptopurine on double-stranded DNA
Authors: Tang Wenwei , Li Weihao , Li Yanfei , Zhang Min , Zeng Xinping
Published: August 2015

Clear damage to dsDNA caused by 6-MP was observed. The damage to adenine was more severe than to guanine.
Exploring the geometrical structures of X©BnHnm [(X, m) = (B, +1), (C, +2) for n = 5; (X, m) = (Be, 0), (B, +1) for n = 6] by an electronic method
Authors: Hou Jianhua , Chen Ying , Duan Qian , Liang Qingcheng , Jiang Dayong , Liu Wanqiang , Yan Bing , Li Zhiru , Gu Fenglong , Li Qianshu
Published: August 2015

The (quasi-)planar wheel-type structures can be obtained by adding electrons.
Structure-tunable hydrothermal synthesis of composite TiO2@glucose carbon microspheres (TiO2@GCs) with enhanced performance in the photocatalytic removal of acid fuchsin (AF)
Authors: Zheng Pei , Li Hong-Ying , Wu Fei , Bai Bo , Guan Wei-Sheng
Published: August 2015

In this work, structure-tunable hydrothermal synthesis of composite TiO2@glucose carbon microspheres (TiO2@GCs) with enhanced performance in the photocatalytic removal of acid fuchsin (AF) is demonstrated.
Studies on the thymine–mercury–thymine base pairing in parallel and anti-parallel DNA duplexes
Authors: Liu Gaofeng , Li Zhiwen , Zhu Junfei , Liu Yang , Zhou Ying , He Junlin
Published: August 2015

Parallel and anti-parallel T–Hg–T base pairs have different thermal stabilities and conformational influences on DNA duplex structures.
Electronic effects on the substitution reactions of benzhydrols and fluorenyl alcohols. Determination of mechanism and effects of antiaromaticity
Authors: George Stephen R. D. , Elton Timothy E. , Harper Jason B.
Published: August 2015

Fusion of benzhydrols to give fluorenols is found to not affect the electronic susceptibility of substitution reactions suggesting the antiaromaticity of the intermediate serves simply to slow the process.
Phenolic compounds in edible species of the Anacardiaceae family – a review
Authors: Schulze-Kaysers N. , Feuereisen M. M. , Schieber A.
Published: August 2015

Members of the Anacardiaceae (cashew family) are of economic importance and contain a diverse range of phenolic compounds.
Parametrical amplification induced nonreciprocity in photonic band gaps
Authors: Zhang Dan , Wang Zhiguo , Zhang Yiqi , ABdulkhaleq Hasan , Zhang Weitao , Liu Zhe , Zhang Yanpeng
Published: August 2015

We investigated the parametrically amplified nonreciprocity of the transmission of the probe field, the reflection of suppressed four-wave mixing, the enhanced six-wave mixing and the radiation trap nonreciprocity of fluorescence signals in a five level atomic system.
Facile one-pot electrosynthesis of high photoreactive hexacoordinated Si with Zr and Zn catalyst
Authors: Sapawe Norzahir , Hanafi Muhammad Farhan
Published: August 2015

The one-pot electrochemical synthesis of EGZrO2–EGZnO/HY generates a six-coordinate Si with Zr and Zn, which enhanced the photodecolorization of methylene blue.
A simple strategy for monitoring of aromatic degradation in a chloride mediated electrooxidation process
Authors: Santhanam Manikandan , Annamalai Sivasankar , Sudanthiramoorthy Subramanian , Gopalakrishnan Rajagopal
Published: August 2015

UV-Vis spectrum analysis of textile dyeing wastewater during electrooxidation.
ZrO2-β-cyclodextrin catalyzed synthesis of 2,4,5-trisubstituted imidazoles and 1,2-disubstituted benzimidazoles under solvent free conditions and evaluation of their antibacterial study
Authors: Girish Yarabhally R. , Sharath Kumar Kothanahally S. , Thimmaiah Kuntebommanahalli N. , Rangappa Kanchugarakoppal S. , Shashikanth Sheena
Published: August 2015

A series of 2,4,5-trisubstituted imidazoles and 1,2-disubstituted benzimidazoles catalyzed by ZrO2-supported-β-cyclodextrin (ZrO2-β-CD) under solvent free conditions have been synthesized and characterized by spectral methods.
Noble metal@metal oxide semiconductor core@shell nano-architectures as a new platform for gas sensor applications
Authors: Rai Prabhakar , Majhi Sanjit Manohar , Yu Yeon-Tae , Lee Jong-Heun
Published: August 2015

This feature article focuses on recent research progress in noble metal@metal oxides core@shell NPs for gas sensor applications.
Size-controlled synthesis of water-dispersible superparamagnetic Fe3O4 nanoclusters and their magnetic responsiveness
Authors: Wang Wentao , Tang Bingtao , Ju Benzhi , Zhang Shufen
Published: August 2015

Highly water-dispersible and size-controllable superparamagnetic Fe3O4 nanoclusters were synthesized by using sodium citrate with a mixed-solvent system, these nanoclusters can be used for color display and hyperthermia in biomedical applications.
Hydrothermal carbonization of bamboo in an oxalic acid solution: effects of acid concentration and retention time on the characteristics of products
Authors: Li Xun , Li Ming-Fei , Bian Jing , Wang Bo , Xu Ji-Kun , Sun Run-Cang
Published: August 2015

Bamboo was hydrothermally carbonized in an oxalic acid solution by microwave heating for the production of a hydrochar and antioxidant solution.
Adhesive RAFT agents for controlled polymerization of acrylamide: effect of catechol-end R groups
Authors: Oyeneye Olabode O. , Xu William Z. , Charpentier Paul A.
Published: August 2015

Synthesizing polyacrylamide (PAM) inorganic nanocomposites with stable tethering and controlled polymer length has been elusive.
Oxidative acylation of sulfoximines with methylarenes as an acyl donor
Authors: Zhao Zhenguang , Wang Tao , Yuan Lin , Jia Xingwang , Zhao Junfeng
Published: August 2015

An efficient direct oxidative acylation of sulfoximines with methylarenes as an acyl donor was finally achieved.
Failure analysis in ITO-free all-solution processed organic solar cells
Authors: Galagan Y. , Eggenhuisen T. M. , Coenen M. J. J. , Biezemans A. F. K. V. , Verhees W. J. H. , Veenstra S. C. , Groen W. A. , Andriessen R. , Janssen R. A. J.
Published: August 2015

In this paper we discuss a problem-solving methodology and present guidance for troubleshooting defects in ITO-free all-solution processed organic solar cells with an inverted cell architecture.
Improving the stability and selectivity for the oxygen-evolution reaction on semiconducting WO3 photoelectrodes with a solid-state FeOOH catalyst
Authors: Lhermitte Charles R. , Garret Verwer J. , Bartlett Bart M.
Published: August 2015

WO3 electrodes were synthesized via a sol–gel route followed by the photoelectrochemical deposition of a solid state FeOOH oxygen-evolution catalyst (OEC) to observe its effects on electrode stability and selectivity towards the oxygen evolution reaction (OER).
Hydrolysis and sulfation pattern effects on release of bioactive bone morphogenetic protein-2 from heparin-based microparticles
Authors: Tellier Liane E. , Miller Tobias , McDevitt Todd C. , Temenoff Johnna S.
Published: August 2015

Microparticles fabricated with more highly sulfated heparin species are able to release bioactive bone morphogenetic protein-2 (BMP-2), making these microparticles a promising method for growth factor delivery.
A novel two-dimensional material B2S3and its structural implication to new carbon and boron nitride allotropes
Authors: Liu Wei , Miao Maosheng , Liu Jing-yao
Published: August 2015

We propose a single layer of B2S3as a new potential 2D material, conceived directly from its existing layered 3D crystal. New 2D BN and graphene allotropes are constructed from B2S3.
Internet and Audiology: A Review of the First International Meeting
Authors: Andersson Gerhard , Lunner Thomas , Laplante-Lévesque Ariane , Preminger Jill E.
Published: August 2015

Purpose

The purpose of this research forum article is to describe the impetus for holding the First International Meeting on Internet and Audiology (October 2014) and to introduce the special research forum that arose from the meeting.

Method

The rationale for the First International Meeting on Internet and Audiology is described. This is followed by a short description of the research sections and articles appearing in the special issue. Six articles consider the process of health care delivery over the Internet; this includes health care specific to hearing, tinnitus, and balance. Four articles discuss the development of effective Internet-based treatment programs. Six articles describe and evaluate Internet-based interventions specific to adult hearing aid users.

Conclusion

The fledgling field of Internet and audiology is remarkably broad. The Second International Meeting on Internet and Audiology ocurred in September 2015.
Studying an Agulhas ring's long-term pathway and decay with finite-time coherent sets
Authors: Froyland Gary , Horenkamp Christian , Rossi Vincent , van Sebille Erik
Published: August 2015

Coherent sets in dynamical systems are regions in phase space that optimally “carry mass” with them under the system's evolution, so that these regions experience minimal leakage. The dominant tool for determining coherent sets is the transfer operator, which provides a complete description of Lagrangian mass transport. In this work, we combine existing transfer operator methods with a windowing scheme to study the spatial and temporal evolution of a so-called Agulhas ring: a large anticyclonic mesoscale eddy playing a key role in inter-ocean exchange of climate-relevant properties. Our focus is on ring decay over time and the windowing scheme enables us to study how the most coherent region (our estimate of the ring) varies in position and size over a period of more than two years. We compare the eddy-like structure and its spatio-temporal changes as revealed by our method and by a classical Eulerian approach.
Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW method
Authors: Sinha Debalina , Pavanello Michele
Published: August 2015

The correlation energy of interaction is an elusive and sought-after interaction between molecular systems. By partitioning the response function of the system into subsystem contributions, the Frozen Density Embedding (FDE)-vdW method provides a computationally amenable nonlocal correlation functional based on the adiabatic connection fluctuation dissipation theorem applied to subsystem density functional theory. In reproducing potential energy surfaces of weakly interacting dimers, we show that FDE-vdW, either employing semilocal or exact nonadditive kinetic energy functionals, is in quantitative agreement with high-accuracy coupled cluster calculations (overall mean unsigned error of 0.5 kcal/mol). When employing the exact kinetic energy (which we term the Kohn-Sham (KS)-vdW method), the binding energies are generally closer to the benchmark, and the energy surfaces are also smoother.
Multiple external field effects on diffusion-limited reversible reactions for a geminate pair with no interparticle interactions
Authors: Reigh Shang Yik
Published: August 2015

Kinetics of a geminate particle pair with no interparticle interactions controlled by diffusion-limited reversible reactions is investigated in the presence of various possible external fields such as electric or gravitational fields based on continuum theory. Diffusion equations subject to multiple external fields are analytically solved with Green functions and the physical quantities such as the binding and survival probabilities are derived. Particularly, the local binding probabilities at the specific location on the reaction surface depending on the initial distance and orientation and the field directions are calculated. The variations of the binding probabilities due to the change of the field directions are predicted at long times and it shows that the binding probabilities tend to shift along the sum of individual field directions.
Long-wave Marangoni convection in a layer of surfactant solution: Bifurcation analysis
Authors: Morozov M. , Oron A. , Nepomnyashchy A. A.
Published: August 2015

We carry out a bifurcation analysis of the deformational mode of oscillatory Marangoni instability emerging in a heated layer of surfactant solution in the presence of the Soret effect and surfactant sorption at the free surface. The analysis is based on a set of long-wave evolution equations derived in our earlier work. By means of weakly nonlinear expansions about the instability threshold, we access the stability of a variety of convective patterns including single traveling and standing waves, superpositions of two traveling and two standing waves, and superpositions of three traveling waves. We have found that stability of convective patterns depends strongly on surfactant sorption; in particular, when adsorption is sufficiently strong the bifurcation is subcritical for any physically feasible value of system parameters.
The dispersion in accumulation at InGaAs-based metal/oxide/semiconductor gate stacks with a bi-layered dielectric structure
Authors: Krylov Igor , Ritter Dan , Eizenberg Moshe
Published: August 2015

InGaAs gate stacks comprising the moderate dielectric constant (k) Al2O3 have a significantly lower dispersion in accumulation in comparison to stacks with the high-k HfO2 of the same physical thickness. As a result, a HfO2/Al2O3 bi-layer structure seems attractive in terms of both high effective dielectric constant and low dispersion in accumulation. The influence of Al2O3 thickness on the dispersion was investigated in metal/HfO2/Al2O3/InGaAs gate stacks with a fixed overall dielectric thickness. An effective suppression of the dispersion with the increase of the Al2O3 thickness was observed. However, the Al2O3 thickness required for passivation of the dispersion in accumulation was significantly higher in comparison to both the border traps related tunneling distance in Al2O3 and the minimal thickness required for the Al2O3/InGaAs band offset stabilization. The phenomenon can be explained by the lower dielectric constant of Al2O3 film (compared to the subsequently deposited HfO2 layer), where Al2O3 dielectric constant dependence on the film thickness enhances the dispersion intensity. As a result, the guidelines for the passivation layer engineering are: maximization of both majority carriers band offsets and of the dielectric constant of the passivation layer.
Swirl switching in turbulent flow through 90° pipe bends
Authors: Carlsson C. , Alenius E. , Fuchs L.
Published: August 2015

Turbulent flow through 90° pipe bends, for four different curvatures, has been investigated using large eddy simulations. In particular, the origin of the so-called swirl switching phenomenon, which is a large scale oscillation of the flow after the bend, has been studied for different bend curvature ratios. A classification of the phenomenon into a high and a low frequency switching, with two distinct physical origins, is proposed. While the high frequency switching stems from modes formed at the bend, and becomes increasingly important for sharp curvatures, the low frequency switching originates from very-large-scale motions created in the upstream pipe flow.
A versatile setup using femtosecond adaptive spectroscopic techniques for coherent anti-Stokes Raman scattering
Authors: Shen Yujie , Voronine Dmitri V. , Sokolov Alexei V. , Scully Marlan O.
Published: August 2015

We report a versatile setup based on the femtosecond adaptive spectroscopic techniques for coherent anti-Stokes Raman scattering. The setup uses a femtosecond Ti:Sapphire oscillator source and a folded 4f pulse shaper, in which the pulse shaping is carried out through conventional optical elements and does not require a spatial light modulator. Our setup is simple in alignment, and can be easily switched between the collinear single-beam and the noncollinear two-beam configurations. We demonstrate the capability for investigating both transparent and highly scattering samples by detecting transmitted and reflected signals, respectively.
Theory of bi-molecular association dynamics in 2D for accurate model and experimental parameterization of binding rates
Authors: Yogurtcu Osman N. , Johnson Margaret E.
Published: August 2015

The dynamics of association between diffusing and reacting molecular species are routinely quantified using simple rate-equation kinetics that assume both well-mixed concentrations of species and a single rate constant for parameterizing the binding rate. In two-dimensions (2D), however, even when systems are well-mixed, the assumption of a single characteristic rate constant for describing association is not generally accurate, due to the properties of diffusional searching in dimensions d ≤ 2. Establishing rigorous bounds for discriminating between 2D reactive systems that will be accurately described by rate equations with a single rate constant, and those that will not, is critical for both modeling and experimentally parameterizing binding reactions restricted to surfaces such as cellular membranes. We show here that in regimes of intrinsic reaction rate (ka) and diffusion (D) parameters ka/D > 0.05, a single rate constant cannot be fit to the dynamics of concentrations of associating species independently of the initial conditions. Instead, a more sophisticated multi-parametric description than rate-equations is necessary to robustly characterize bimolecular reactions from experiment. Our quantitative bounds derive from our new analysis of 2D rate-behavior predicted from Smoluchowski theory. Using a recently developed single particle reaction-diffusion algorithm we extend here to 2D, we are able to test and validate the predictions of Smoluchowski theory and several other theories of reversible reaction dynamics in 2D for the first time. Finally, our results also mean that simulations of reactive systems in 2D using rate equations must be undertaken with caution when reactions have ka/D > 0.05, regardless of the simulation volume. We introduce here a simple formula for an adaptive concentration dependent rate constant for these chemical kinetics simulations which improves on existing formulas to better capture non-equilibrium reaction dynamics from dilute to dense systems.
Phonon-phonon interactions: First principles theory
Authors: Gibbons T. M. , Bebek M. B. , Kang By. , Stanley C. M. , Estreicher S. K.
Published: August 2015

We present the details of a method to perform molecular-dynamics (MD) simulations without thermostat and with very small temperature fluctuations ±ΔT starting with MD step 1. It involves preparing the supercell at the time t = 0 in physically correct microstates using the eigenvectors of the dynamical matrix. Each initial microstate corresponds to a different distribution of kinetic and potential energies for each vibrational mode (the total energy of each microstate is the same). Averaging the MD runs over many initial microstates further reduces ΔT. The electronic states are obtained using first-principles theory (density-functional theory in periodic supercells). Three applications are discussed: the lifetime and decay of vibrational excitations, the isotope dependence of thermal conductivities, and the flow of heat at an interface.