Tuesday, May 31, 2016

Scientific Reports Chemistry Table of Contents e-alert: 31 May 2016

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  31 May 2016   
 
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Welcome to your Table of Contents e-alert for Scientific Reports

 
 
   
 
 
 
Chemical Sciences
 
 
 
 
 
 
 

High-fidelity spherical cholesteric liquid crystal Bragg reflectors generating unclonable patterns for secure authentication

 
 

Yong Geng, JungHyun Noh, Irena Drevensek-Olenik et al.

 
 

Monodisperse cholesteric liquid crystal microspheres exhibit spherically symmetric Bragg reflection, generating, via photonic cross communication, dynamically tuneable …

 
 
 
 
 
 

Automatic Combination of Microfluidic Nanoliter-Scale Droplet Array with High-Speed Capillary Electrophoresis

 
 

Q. Li, Y. Zhu, N.-Q. Zhang et al.

 
 

In this paper, we developed a novel approach for interfacing a microfluidic two-dimensional droplet array to a high-speed capillary electrophoresis (HSCE) system. Picoliter-scale …

 
 
 
 
 
 

Exploring the Inhibitory Mechanism of Approved Selective Norepinephrine Reuptake Inhibitors and Reboxetine Enantiomers by Molecular Dynamics Study

 
 

Guoxun Zheng, Weiwei Xue, Panpan Wang et al.

 
 

Selective norepinephrine reuptake inhibitors (sNRIs) provide an effective class of approved antipsychotics, whose inhibitory mechanism could facilitate the discovery of …

 
 
 
 
 
 

Microfluidic EDGE emulsification: the importance of interface interactions on droplet formation and pressure stability

 
 

Sami Sahin, Olesya Bliznyuk, Ana Rovalino Cordova et al.

 
 

The fact that interactions of components with interfaces can influence processes is well-known; e.g. deposit accumulation on heat exchangers and membrane fouling lead to …

 
 
 
 
 
 

CuO-Decorated ZnO Hierarchical Nanostructures as Efficient and Established Sensing Materials for H2S Gas Sensors

 
 

Nguyen Minh Vuong, Nguyen Duc Chinh, Bui The Huy et al.

 
 

Highly sensitive hydrogen sulfide (H2S) gas sensors were developed from CuO-decorated ZnO semiconducting hierarchical nanostructures. The ZnO hierarchical nanostructure was …

 
 
 
 
 
 

Large-Scale Production of Large-Size Atomically Thin Semiconducting Molybdenum Dichalcogenide Sheets in Water and Its Application for Supercapacitor

 
 

Yu-Xiang Chen, Chien-Wei Wu, Ting-Yang Kuo et al.

 
 

To progress from laboratory research to commercial applications, it is necessary to develop an effective method to prepare large quantities and high-quality of the large-size …

 
 
 
 
 
 

Structural characterization of CYP144A1 – a cytochrome P450 enzyme expressed from alternative transcripts in Mycobacterium tuberculosis

 
 

Jude Chenge, Madeline E. Kavanagh, Max D. Driscoll et al.

 
 

Mycobacterium tuberculosis (Mtb) causes the disease tuberculosis (TB). The virulent Mtb H37Rv strain encodes 20 cytochrome P450 (CYP) enzymes, many of which are implicated in Mtb

 
 
 
 
 
 

Intersystem crossing-branched excited-state intramolecular proton transfer for o-nitrophenol: An ab initio on-the-fly nonadiabatic molecular dynamic simulation

 
 

Chao Xu, Le Yu, Chaoyuan Zhu et al.

 
 

The 6SA-CASSCF(10, 10)/6-31G (d, p) quantum chemistry method has been applied to perform on-the-fly trajectory surface hopping simulation with global switching algorithm and to …

 
 
 
 
 
 

Selective Chemical Conversion of Sugars in Aqueous Solutions without Alkali to Lactic Acid Over a Zn-Sn-Beta Lewis Acid-Base Catalyst

 
 

Wenjie Dong, Zheng Shen, Boyu Peng et al.

 
 

Lactic acid is an important platform molecule in the synthesis of a wide range of chemicals. However, in aqueous solutions without alkali, its efficient preparation via the …

 
 
 
 
 
 

Metallic glassy Zr70Ni20Pd10 powders for improving the hydrogenation/dehydrogenation behavior of MgH2

 
 

M. Sherif El-Eskandarany

 
 

Because of its low density, storage of hydrogen in the gaseous and liquids states possess technical and economic challenges. One practical solution for utilizing hydrogen in …

 
 
 
 
 
 

Resolving metal-molecule interfaces at single-molecule junctions

 
 

Yuki Komoto, Shintaro Fujii, Hisao Nakamura et al.

 
 

Electronic and structural detail at the electrode-molecule interface have a significant influence on charge transport across molecular junctions. Despite the decisive role of the …

 
 
 
 
 
 

Identification of Leishmania donovani Topoisomerase 1 inhibitors via intuitive scaffold hopping and bioisosteric modification of known Top 1 inhibitors

 
 

Rajinikanth Mamidala, Papiya Majumdar, Kunal Kumar Jha et al.

 
 

A library of arylidenefuropyridinediones was discovered as potent inhibitors of Leishmania donovani Topoisomerase 1 (LdTop1) where the active molecules displayed considerable …

 
 
 
 
 
 

Suppression of X-ray-induced dissociation of H2O molecules in dense ice under pressure

 
 

Hiroshi Fukui, Nozomu Hiraoka, Naohisa Hirao et al.

 
 

We investigated molecular dissociation induced by 10-keV X-ray irradiation in dense ice at pressures up to 40 GPa at 300 K. The dissociation yield estimated from the oxygen K

 
 
 
 
 
 

HPTLC-aptastaining – Innovative protein detection system for high-performance thin-layer chromatography

 
 

Lena Morschheuser, Hauke Wessels, Christina Pille et al.

 
 

Protein analysis using high-performance thin-layer chromatography (HPTLC) is not commonly used but can complement traditional electrophoretic and mass spectrometric approaches in …

 
 
 
 
 
 

Synthesis of Reduced Graphene Oxide-Modified LiMn0.75Fe0.25PO4 Microspheres by Salt-Assisted Spray Drying for High-Performance Lithium-Ion Batteries

 
 

Myeong-Seong Kim, Hyun-Kyung Kim, Suk-Woo Lee et al.

 
 

Microsized, spherical, three-dimensional (3D) graphene-based composites as electrode materials exhibit improved tap density and electrochemical properties. In this study, we …

 
 
 
 
 
 

Surfactant-assisted Nanocasting Route for Synthesis of Highly Ordered Mesoporous Graphitic Carbon and Its Application in CO2 Adsorption

 
 

Yangang Wang, Xia Bai, Fei Wang et al.

 
 

Highly ordered mesoporous graphitic carbon was synthesized from a simple surfactant-assisted nanocasting route, in which ordered mesoporous silica SBA-15 maintaining its triblock …

 
 
 
 
 
 

QSAR Accelerated Discovery of Potent Ice Recrystallization Inhibitors

 
 

Jennie G. Briard, Michael Fernandez, Phil De Luna et al.

 
 

Ice recrystallization is the main contributor to cell damage and death during the cryopreservation of cells and tissues. Over the past five years, many small carbohydrate-based …

 
 
 
 
 
 

Elucidating the Origin of the Attractive Force among Hydrophilic Macroions

 
 

Zhuonan Liu, Tianbo Liu, Mesfin Tsige

 
 

Coarse-grained simulation approach is applied to provide a general understanding of various soluble, hydrophilic macroionic solutions, especially the strong attractions among the …

 
 
 
 
 
 

Integrated Microfluidic Isolation of Aptamers Using Electrophoretic Oligonucleotide Manipulation

 
 

Jinho Kim, Timothy R. Olsen, Jing Zhu et al.

 
 

We present a microfluidic approach to integrated isolation of DNA aptamers via systematic evolution of ligands by exponential enrichment (SELEX). The approach employs a …

 
 
 
 
 
 

Unique 1D Co3O4 crystallized nanofibers with (220) oriented facets as high-performance lithium ion battery anode material

 
 

Yanli Tan, Qiuming Gao, Zeyu Li et al.

 
 

A novel one-step hydrothermal and calcination strategy was developed to synthesize the unique 1D oriented Co3O4 crystal nanofibers with (220) facets on the carbon matrix derived …

 
 
 
 
 
 

Revisiting kinetic boundary conditions at the surface of fuel droplet hydrocarbons: An atomistic computational fluid dynamics simulation

 
 

Rasoul Nasiri

 
 

The role of boundary conditions at the interface for both Boltzmann equation and the set of Navier-Stokes equations have been suggested to be important for studying of multiphase …

 
 
 
 
 
 

QwikMD — Integrative Molecular Dynamics Toolkit for Novices and Experts

 
 

João V. Ribeiro, Rafael C. Bernardi, Till Rudack et al.

 
 

The proper functioning of biomolecules in living cells requires them to assume particular structures and to undergo conformational changes. Both biomolecular structure and motion …

 
 
 
 
 
 

A Single-Level Tunnel Model to Account for Electrical Transport through Single Molecule- and Self-Assembled Monolayer-based Junctions

 
 

Alvar R. Garrigues, Li Yuan, Lejia Wang et al.

 
 

We present a theoretical analysis aimed at understanding electrical conduction in molecular tunnel junctions. We focus on discussing the validity of coherent versus incoherent …

 
 
 
 
 
 

Novel chitosan/diclofenac coatings on medical grade stainless steel for hip replacement applications

 
 

Matjaž Finšgar, Amra Perva Uzunalić, Janja Stergar et al.

 
 

Corrosion resistance, biocompatibility, improved osteointegration, as well the prevention of inflammation and pain are the most desired characteristics of hip replacement …

 
 
 
 
 
 
   
 
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Scientific Reports Physics Table of Contents e-alert: 31 May 2016

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  31 May 2016   
 
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Welcome to your Table of Contents e-alert for Scientific Reports

 
 
   
 
 
 
Physical Sciences
 
 
 
 
 
 
 

High-fidelity spherical cholesteric liquid crystal Bragg reflectors generating unclonable patterns for secure authentication

 
 

Yong Geng, JungHyun Noh, Irena Drevensek-Olenik et al.

 
 

Monodisperse cholesteric liquid crystal microspheres exhibit spherically symmetric Bragg reflection, generating, via photonic cross communication, dynamically tuneable …

 
 
 
 
 
 

Subluminal group velocity and dispersion of Laguerre Gauss beams in free space

 
 

Nestor D. Bareza, Nathaniel Hermosa

 
 

That the speed of light in free space c is constant has been a pillar of modern physics since the derivation of Maxwell and in Einstein’s postulate in special relativity. This …

 
 
 
 
 
 

Interphase tuning for stronger and tougher composites

 
 

Konstantin Livanov, Lin Yang, Asaf Nissenbaum et al.

 
 

The development of composite materials that are simultaneously strong and tough is one of the most active topics of current material science. Observations of biological …

 
 
 
 
 
 

Combinatorial development of antibacterial Zr-Cu-Al-Ag thin film metallic glasses

 
 

Yanhui Liu, Jagannath Padmanabhan, Bettina Cheung et al.

 
 

Metallic alloys are normally composed of multiple constituent elements in order to achieve integration of a plurality of properties required in technological applications. …

 
 
 
 
 
 

Tunable Band-Stop Filters for Graphene Plasmons Based on Periodically Modulated Graphene

 
 

Bin Shi, Wei Cai, Xinzheng Zhang et al.

 
 

Tunable band-stop filters based on graphene with periodically modulated chemical potentials are proposed. Periodic graphene can be considered as a plasmonic crystal. Its energy …

 
 
 
 
 
 

Negative Oxygen Ions Production by Superamphiphobic and Antibacterial TiO2/Cu2O Composite Film Anchored on Wooden Substrates

 
 

Likun Gao, Zhe Qiu, Wentao Gan et al.

 
 

According to statistics, early in the 20th century, the proportion of positive and negative air ions on the earth is 1 : 1.2. However, after more than one century, the …

 
 
 
 
 
 

Automatic Combination of Microfluidic Nanoliter-Scale Droplet Array with High-Speed Capillary Electrophoresis

 
 

Q. Li, Y. Zhu, N.-Q. Zhang et al.

 
 

In this paper, we developed a novel approach for interfacing a microfluidic two-dimensional droplet array to a high-speed capillary electrophoresis (HSCE) system. Picoliter-scale …

 
 
 
 
 
 

A Versatile Multiple Target Detection System Based on DNA Nano-assembled Linear FRET Arrays

 
 

Yansheng Li, Hongwu Du, Wenqian Wang et al.

 
 

DNA molecules have been utilized both as powerful synthetic building blocks to create nanoscale architectures and as inconstant programmable templates for assembly of biosensors. …

 
 
 
 
 
 

Dependences of Q-branch integrated intensity of linear-molecule pendular spectra on electric-field strength and rotational temperature and its potential applications

 
 

Min Deng, Hailing Wang, Qin Wang et al.

 
 

We calculate the pendular-state spectra of cold linear molecules, and investigated the dependences of “Q-branch” integrated intensity of pendular spectra on both electric-field …

 
 
 
 
 
 

Microfluidic EDGE emulsification: the importance of interface interactions on droplet formation and pressure stability

 
 

Sami Sahin, Olesya Bliznyuk, Ana Rovalino Cordova et al.

 
 

The fact that interactions of components with interfaces can influence processes is well-known; e.g. deposit accumulation on heat exchangers and membrane fouling lead to …

 
 
 
 
 
 

Full characterization of an attosecond pulse generated using an infrared driver

 
 

Chunmei Zhang, Graham G. Brown, Kyung Taec Kim et al.

 
 

The physics of attosecond pulse generation requires using infrared driving wavelength to reach the soft X-rays. However, with longer driving wavelength, the harmonic conversion …

 
 
 
 
 
 

MgZnO/ZnO heterostructures with electron mobility exceeding 1 × 106 cm2/Vs

 
 

Joseph Falson, Yusuke Kozuka, Masaki Uchida et al.

 
 

The inherently complex chemical and crystallographic nature of oxide materials has suppressed the purities achievable in laboratory environments, obscuring the rich physical …

 
 
 
 
 
 

Multiscale architectured materials with composition and grain size gradients manufactured using high-pressure torsion

 
 

Ji Yun Kang, Jung Gi Kim, Hyo Wook Park et al.

 
 

The concept of multiscale architectured materials is established using composition and grain size gradients. Composition-gradient nanostructured materials are produced from …

 
 
 
 
 
 

Complex quantum networks as structured environments: engineering and probing

 
 

Johannes Nokkala, Fernando Galve, Roberta Zambrini et al.

 
 

We consider structured environments modeled by bosonic quantum networks and investigate the probing of their spectral density, structure, and topology. We demonstrate how to …

 
 
 
 
 
 

Population-weighted efficiency in transportation networks

 
 

Lei Dong, Ruiqi Li, Jiang Zhang et al.

 
 

Transportation efficiency is critical for the operation of cities and is attracting great attention worldwide. Improving the transportation efficiency can not only decrease …

 
 
 
 
 
 

CuO-Decorated ZnO Hierarchical Nanostructures as Efficient and Established Sensing Materials for H2S Gas Sensors

 
 

Nguyen Minh Vuong, Nguyen Duc Chinh, Bui The Huy et al.

 
 

Highly sensitive hydrogen sulfide (H2S) gas sensors were developed from CuO-decorated ZnO semiconducting hierarchical nanostructures. The ZnO hierarchical nanostructure was …

 
 
 
 
 
 

Topological triple-vortex lattice stabilized by mixed frustration in expanded honeycomb Kitaev-Heisenberg model

 
 

Xiaoyan Yao, Shuai Dong

 
 

The expanded classical Kitaev-Heisenberg model on a honeycomb lattice is investigated with the next-nearest-neighboring Heisenberg interaction considered. The simulation shows a …

 
 
 
 
 
 

Improve sensitization and corrosion resistance of an Al-Mg alloy by optimization of grain boundaries

 
 

Jianfeng Yan, Nathan M. Heckman, Leonardo Velasco et al.

 
 

The sensitization and subsequent intergranular corrosion of Al-5.3 wt.% Mg alloy has been shown to be an important factor in stress corrosion cracking of Al-Mg alloys. Un…

 
 
 
 
 
 

Dramatically decreased magnetoresistance in non-stoichiometric WTe2 crystals

 
 

Yang-Yang Lv, Bin-Bin Zhang, Xiao Li et al.

 
 

Recently, the layered semimetal WTe2 has attracted renewed interest owing to the observation of a non-saturating and giant positive magnetoresistance (~105%), which can be useful …

 
 
 
 
 
 

Exploring the Inhibitory Mechanism of Approved Selective Norepinephrine Reuptake Inhibitors and Reboxetine Enantiomers by Molecular Dynamics Study

 
 

Guoxun Zheng, Weiwei Xue, Panpan Wang et al.

 
 

Selective norepinephrine reuptake inhibitors (sNRIs) provide an effective class of approved antipsychotics, whose inhibitory mechanism could facilitate the discovery of …

 
 
 
 
 
 

Animal Hairs as Water-stimulated Shape Memory Materials: Mechanism and Structural Networks in Molecular Assemblies

 
 

Xueliang Xiao, Jinlian Hu

 
 

Animal hairs consisting of α-keratin biopolymers existing broadly in nature may be responsive to water for recovery to the innate shape from their fixed deformation, thus possess …

 
 
 
 
 
 

Rapid green assembly of antimicrobial nanobunches

 
 

Jeong Hoon Byeon

 
 

Antimicrobial nanobunches with different amounts of chitosan-capped Ag were prepared by continuous gas-liquid green route under ultrasound irradiation. Spark-produced aerosol Cu …

 
 
 
 
 
 

Enhanced Flexible Tubular Microelectrode with Conducting Polymer for Multi-Functional Implantable Tissue-Machine Interface

 
 

Hong-Chang Tian, Jing-Quan Liu, Xiao-Yang Kang et al.

 
 

Implantable biomedical microdevices enable the restoration of body function and improvement of health condition. As the interface between artificial machines and natural tissue, …

 
 
 
 
 
 

Assembling Bare Au Nanoparticles at Positively Charged Templates

 
 

Wenjie Wang, Honghu Zhang, Ivan Kuzmenko et al.

 
 

In-situ X-ray reflectivity (XRR) and grazing incidence X-ray small-angle scattering (GISAXS) reveal that unfunctionalized (bare) gold nanoparticles (AuNP) spontaneously adsorb to …

 
 
 
 
 
 

Quantization Effects on Complex Networks

 
 

Ying Wang, Lin Wang, Wen Yang et al.

 
 

Weights of edges in many complex networks we constructed are quantized values of the real weights. To what extent does the quantization affect the properties of a network? In …

 
 
 
 
 
 

Quasi-freestanding graphene on Ni(111) by Cs intercalation

 
 

M. Alattas, U. Schwingenschlögl

 
 

A possible approach to achieve quasi-freestanding graphene on a substrate for technological purpose is the intercalation of alkali metal atoms. Cs intercalation between graphene …

 
 
 
 
 
 

Long-term results of anterior cervical corpectomy and fusion with nano-hydroxyapatite/polyamide 66 strut for cervical spondylotic myelopathy

 
 

Yuan Zhang, Xu Deng, Dianming Jiang et al.

 
 

To assess the long-term clinical and radiographic outcomes of anterior cervical corpectomy and fusion (ACCF) with a neotype nano-hydroxyapatite/polyamide 66 (n-HA/PA66) strut in …

 
 
 
 
 
 

Watt-level passively Q-switched heavily Er3+-doped ZBLAN fiber laser with a semiconductor saturable absorber mirror

 
 

Yanlong Shen, Yishan Wang, Kunpeng Luan et al.

 
 

A diode-cladding pumped mid-infrared passively Q-switched Er3+-doped ZBLAN fiber laser with an average output power of watt-level based on a semiconductor saturable absorber …

 
 
 
 
 
 

High efficiency all-polymer tandem solar cells

 
 

Jianyu Yuan, Jinan Gu, Guozheng Shi et al.

 
 

In this work, we have reported for the first time an efficient all-polymer tandem cell using identical sub-cells based on P2F-DO:N2200. A high power conversion efficiency (PCE) …

 
 
 
 
 
 

Large-Scale Production of Large-Size Atomically Thin Semiconducting Molybdenum Dichalcogenide Sheets in Water and Its Application for Supercapacitor

 
 

Yu-Xiang Chen, Chien-Wei Wu, Ting-Yang Kuo et al.

 
 

To progress from laboratory research to commercial applications, it is necessary to develop an effective method to prepare large quantities and high-quality of the large-size …

 
 
 
 
 
 

Experimental Demonstration of a Hybrid-Quantum-Emitter Producing Individual Entangled Photon Pairs in the Telecom Band

 
 

Geng Chen, Yang Zou, Wen-Hao Zhang et al.

 
 

Quantum emitters generating individual entangled photon pairs (IEPP) have significant fundamental advantages over schemes that suffer from multiple photon emission, or schemes …

 
 
 
 
 
 

Transverse-electric plasmonic modes of cylindrical graphene-based waveguide at near-infrared and visible frequencies

 
 

Dmitry A. Kuzmin, Igor V. Bychkov, Vladimir G. Shavrov et al.

 
 

Transverse-electric (TE) surface plasmons (SPs) are very unusual for plasmonics phenomenon. Graphene proposes a unique possibility to observe these plasmons. Due to transverse …

 
 
 
 
 
 

Creation of localized spins in graphene by ring-opening of epoxy derived hydroxyl

 
 

Jie Chen, Weili Zhang, Yuanyuan Sun et al.

 
 

Creation of high-density localized spins in the basal plane of graphene sheet by introduction of sp3-type defects is considered to be a potential route for the realization of …

 
 
 
 
 
 

Anomalous domain periodicity observed in ferroelectric PbTiO3 nanodots having 180° stripe domains

 
 

Jong Yeog Son, Seungwoo Song, Jung-Hoon Lee et al.

 
 

Nanometer-scale ferroelectric dots and tubes have received a great deal of attention owing to their potential applications to nonvolatile memories and multi-functional devices. …

 
 
 
 
 
 

Origin of Structural Transformation in Mono- and Bi-Layered Molybdenum Disulfide

 
 

Xiaoli Sun, Zhiguo Wang, Zhijie Li et al.

 
 

Mono- and multi-layered molybdenum disulfide (MoS2) is considered to be one of the next generation anode materials for rechargeable ion batteries. Structural transformation from …

 
 
 
 
 
 

Strongly Modulated Friction of a Film-Terminated Ridge-Channel Structure

 
 

Zhenping He, Chung-Yuen Hui, Benjamin Levrard et al.

 
 

Natural contacting surfaces have remarkable surface mechanical properties, which has led to the development of bioinspired surface structures using rubbery materials with …

 
 
 
 
 
 

Dispersive Non-Geminate Recombination in an Amorphous Polymer:Fullerene Blend

 
 

Jona Kurpiers, Dieter Neher

 
 

Recombination of free charge is a key process limiting the performance of solar cells. For low mobility materials, such as organic semiconductors, the kinetics of non-geminate …

 
 
 
 
 
 

Enhancing synchronization stability in a multi-area power grid

 
 

Bing Wang, Hideyuki Suzuki, Kazuyuki Aihara

 
 

Maintaining a synchronous state of generators is of central importance to the normal operation of power grids, in which many networks are generally interconnected. In order to …

 
 
 
 
 
 

Broadband diffuse terahertz wave scattering by flexible metasurface with randomized phase distribution

 
 

Yin Zhang, Lanju Liang, Jing Yang et al.

 
 

Suppressing specular electromagnetic wave reflection or backward radar cross section is important and of broad interests in practical electromagnetic engineering. Here, we …

 
 
 
 
 
 

A novel approach of chemical mechanical polishing for cadmium zinc telluride wafers

 
 

Zhenyu Zhang, Bo Wang, Ping Zhou et al.

 
 

A novel approach of chemical mechanical polishing (CMP) is developed for cadmium zinc telluride (CdZnTe or CZT) wafers. The approach uses environment-friendly slurry that …

 
 
 
 
 
 

The decisive role of free water in determining homogenous ice nucleation behavior of aqueous solutions

 
 

Qiang Wang, Lishan Zhao, Chenxi Li et al.

 
 

It is a challenging issue to quantitatively characterize how the solute and pressure affect the homogeneous ice nucleation in a supercooled solution. By measuring the glass …

 
 
 
 
 
 

Neuron-Like Networks Between Ribosomal Proteins Within the Ribosome

 
 

Olivier Poirot, Youri Timsit

 
 

From brain to the World Wide Web, information-processing networks share common scale invariant properties. Here, we reveal the existence of neural-like networks at a molecular …

 
 
 
 
 
 

Percolation Phase Transition of Surface Air Temperature Networks under Attacks of El Niño/La Niña

 
 

Zhenghui Lu, Naiming Yuan, Zuntao Fu

 
 

In this study, sea surface air temperature over the Pacific is constructed as a network, and the influences of sea surface temperature anomaly in the tropical central eastern …

 
 
 
 
 
 

Design strategy of surface decoration for efficient delivery of nanoparticles by computer simulation

 
 

Hong-ming Ding, Yu-qiang Ma

 
 

Understanding the role of surface decoration of nanoparticles in protein adsorption and cellular uptake is of great importance in biomedicine. Here, by using dissipative particle …

 
 
 
 
 
 

Label-free nonlinear optical microscopy detects early markers for osteogenic differentiation of human stem cells

 
 

Arne D. Hofemeier, Henning Hachmeister, Christian Pilger et al.

 
 

Tissue engineering by stem cell differentiation is a novel treatment option for bone regeneration. Most approaches for the detection of osteogenic differentiation are invasive or …

 
 
 
 
 
 

Characterizing the malignancy and drug resistance of cancer cells from their membrane resealing response

 
 

T. H. Hui, Z. L. Zhou, H. W. Fong et al.

 
 

In this report, we showed that two tumor cell characteristics, namely the malignancy and drug-resistance status can be evaluated by their membrane resealing response. …

 
 
 
 
 
 

Modification of Ni-Rich FCG NMC and NCA Cathodes by Atomic Layer Deposition: Preventing Surface Phase Transitions for High-Voltage Lithium-Ion Batteries

 
 

Debasish Mohanty, Kevin Dahlberg, David M. King et al.

 
 

The energy density of current lithium-ion batteries (LIBs) based on layered LiMO2 cathodes (M = Ni, Mn, Co: NMC; M = Ni, Co, Al: NCA) needs to be improved significantly in order …

 
 
 
 
 
 

Structural characterization of CYP144A1 – a cytochrome P450 enzyme expressed from alternative transcripts in Mycobacterium tuberculosis

 
 

Jude Chenge, Madeline E. Kavanagh, Max D. Driscoll et al.

 
 

Mycobacterium tuberculosis (Mtb) causes the disease tuberculosis (TB). The virulent Mtb H37Rv strain encodes 20 cytochrome P450 (CYP) enzymes, many of which are implicated in Mtb

 
 
 
 
 
 

Intersystem crossing-branched excited-state intramolecular proton transfer for o-nitrophenol: An ab initio on-the-fly nonadiabatic molecular dynamic simulation

 
 

Chao Xu, Le Yu, Chaoyuan Zhu et al.

 
 

The 6SA-CASSCF(10, 10)/6-31G (d, p) quantum chemistry method has been applied to perform on-the-fly trajectory surface hopping simulation with global switching algorithm and to …

 
 
 
 
 
 

Synthesis of Reduced Graphene Oxide-Modified LiMn0.75Fe0.25PO4 Microspheres by Salt-Assisted Spray Drying for High-Performance Lithium-Ion Batteries

 
 

Myeong-Seong Kim, Hyun-Kyung Kim, Suk-Woo Lee et al.

 
 

Microsized, spherical, three-dimensional (3D) graphene-based composites as electrode materials exhibit improved tap density and electrochemical properties. In this study, we …

 
 
 
 
 
 

Corrigendum: 3D printed cellular solid outperforms traditional stochastic foam in long-term mechanical response

 
 

A. Maiti, W. Small, J. P. Lewicki et al.

 
 

 
 
 
 
 
 

Elastomeric Cellular Structure Enhanced by Compressible Liquid Filler

 
 

Yueting Sun, Xiaoqing Xu, Chengliang Xu et al.

 
 

Elastomeric cellular structures provide a promising solution for energy absorption. Their flexible and resilient nature is particularly relevant to protection of human bodies. …

 
 
 
 
 
 

A multicaloric material as a link between electrocaloric and magnetocaloric refrigeration

 
 

Hana Ursic, Vid Bobnar, Barbara Malic et al.

 
 

The existence and feasibility of the multicaloric, polycrystalline material 0.8Pb(Fe1/2Nb1/2)O3-0.2Pb(Mg1/2W1/2)O3, exhibiting magnetocaloric and electrocaloric properties, are …

 
 
 
 
 
 

Scaling and universality in glass transition

 
 

Antonio de Candia, Annalisa Fierro, Antonio Coniglio

 
 

Kinetic facilitated models and the Mode Coupling Theory (MCT) model B are within those systems known to exhibit a discontinuous dynamical transition with a two step relaxation. …

 
 
 
 
 
 

Atomic-level structural and chemical analysis of Cr-doped Bi2Se3 thin films

 
 

A. Ghasemi, D. Kepaptsoglou, L. J. Collins-McIntyre et al.

 
 

We present a study of the structure and chemical composition of the Cr-doped 3D topological insulator Bi2Se3. Single-crystalline thin films were grown by molecular beam epitaxy …

 
 
 
 
 
 

Interfacial electrofluidics in confined systems

 
 

Biao Tang, Jan Groenewold, Min Zhou et al.

 
 

Electrofluidics is a versatile principle that can be used for high speed actuation of liquid interfaces. In most of the applications, the fundamental mechanism of …

 
 
 
 
 
 

Resolving metal-molecule interfaces at single-molecule junctions

 
 

Yuki Komoto, Shintaro Fujii, Hisao Nakamura et al.

 
 

Electronic and structural detail at the electrode-molecule interface have a significant influence on charge transport across molecular junctions. Despite the decisive role of the …

 
 
 
 
 
 

Synthesis and Characterization of an Alumina Forming Nanolaminated Boride: MoAlB

 
 

Sankalp Kota, Eugenio Zapata-Solvas, Alexander Ly et al.

 
 

The ‘MAlB’ phases are nanolaminated, ternary transition metal borides that consist of a transition metal boride sublattice interleaved by monolayers or bilayers of pure aluminum. …

 
 
 
 
 
 

Fiber-Type Random Laser Based on a Cylindrical Waveguide with a Disordered Cladding Layer

 
 

Wei Li Zhang, Meng Ya Zheng, Rui Ma et al.

 
 

This letter reports a fiber-type random laser (RL) which is made from a capillary coated with a disordered layer at its internal surface and filled with a gain (laser dye) …

 
 
 
 
 
 

Selective Chemical Conversion of Sugars in Aqueous Solutions without Alkali to Lactic Acid Over a Zn-Sn-Beta Lewis Acid-Base Catalyst

 
 

Wenjie Dong, Zheng Shen, Boyu Peng et al.

 
 

Lactic acid is an important platform molecule in the synthesis of a wide range of chemicals. However, in aqueous solutions without alkali, its efficient preparation via the …

 
 
 
 
 
 

Optimized Spiral Metal-Gallium-Nitride Nanowire Cavity for Ultra-High Circular Dichroism Ultraviolet Lasing at Room Temperature

 
 

Wei-Chun Liao, Shu-Wei Liao, Kuo-Ju Chen et al.

 
 

Circularly polarized laser sources with small footprints and high efficiencies can possess advanced functionalities in optical communication and biophotonic integrated systems. …

 
 
 
 
 
 

All-Optical Implementation of the Ant Colony Optimization Algorithm

 
 

Wenchao Hu, Kan Wu, Perry Ping Shum et al.

 
 

We report all-optical implementation of the optimization algorithm for the famous “ant colony” problem. Ant colonies progressively optimize pathway to food discovered by one of …

 
 
 
 
 
 

The immiscibility of InAlN ternary alloy

 
 

Guijuan Zhao, Xiaoqing Xu, Huijie Li et al.

 
 

We have used two models based on the valence force field and the regular solution model to study the immiscibility of InAlN ternary alloy, and have got the spinodal and binodal …

 
 
 
 
 
 

Improving resolution in quantum subnanometre-gap tip-enhanced Raman nanoimaging

 
 

Yingchao Zhang, Dmitri V. Voronine, Shangran Qiu et al.

 
 

Two-dimensional (2D) materials beyond graphene such as transition metal dichalcogenides (TMDs) have unique mechanical, optical and electronic properties with promising …

 
 
 
 
 
 

Evolution of electronic states in n-type copper oxide superconductor via electric double layer gating

 
 

Kui Jin, Wei Hu, Beiyi Zhu et al.

 
 

The occurrence of electrons and holes in n-type copper oxides has been achieved by chemical doping, pressure, and/or deoxygenation. However, the observed electronic properties …

 
 
 
 
 
 

Suppression of X-ray-induced dissociation of H2O molecules in dense ice under pressure

 
 

Hiroshi Fukui, Nozomu Hiraoka, Naohisa Hirao et al.

 
 

We investigated molecular dissociation induced by 10-keV X-ray irradiation in dense ice at pressures up to 40 GPa at 300 K. The dissociation yield estimated from the oxygen K

 
 
 
 
 
 

The Talbot Effect for two-dimensional massless Dirac fermions

 
 

Jamie D. Walls, Daniel Hadad

 
 

A monochromatic beam of wavelength λ transmitted through a periodic one-dimensional diffraction grating with lattice constant d will be spatially refocused at distances from the …

 
 
 
 
 
 

Tuning the ferromagnetic phase in the CDW compound SmNiC2 via chemical alloying

 
 

G. Prathiba, I. Kim, S. Shin et al.

 
 

We report a study on tuning the charge density wave (CDW) ferromagnet SmNiC2 to a weakly coupled superconductor by substituting La for Sm. X-ray diffraction measurements show …

 
 
 
 
 
 

Interface Engineering for the Enhancement of Carrier Transport in Black Phosphorus Transistor with Ultra-Thin High-k Gate Dielectric

 
 

Zhi-Peng Ling, Jun-Tao Zhu, Xinke Liu et al.

 
 

Black phosphorus (BP) is the most stable allotrope of phosphorus which exhibits strong in-plane anisotropic charge transport. Discovering its interface properties between BP and …

 
 
 
 
 
 

Surfactant-assisted Nanocasting Route for Synthesis of Highly Ordered Mesoporous Graphitic Carbon and Its Application in CO2 Adsorption

 
 

Yangang Wang, Xia Bai, Fei Wang et al.

 
 

Highly ordered mesoporous graphitic carbon was synthesized from a simple surfactant-assisted nanocasting route, in which ordered mesoporous silica SBA-15 maintaining its triblock …

 
 
 
 
 
 

Distinct doping dependence of critical temperature and critical current density in Ba1−xKxFe2As2 superconductor

 
 

Dongjoon Song, Shigeyuki Ishida, Akira Iyo et al.

 
 

Since the high transition temperature (High-Tc) superconductivity was discovered in the series of materials containing iron (Fe), their potential for the applications has been …

 
 
 
 
 
 

Minimal number of runs and the sequential scheme for local discrimination between special unitary operations

 
 

Tian-Qing Cao, Ying-Hui Yang, Zhi-Chao Zhang et al.

 
 

It has been shown that any two different multipartite unitary operations are perfectly distinguishable by local operations and classical communication with a finite number of …

 
 
 
 
 
 

Local atomic arrangements and lattice distortions in layered Ge-Sb-Te crystal structures

 
 

Andriy Lotnyk, Ulrich Ross, Sabine Bernütz et al.

 
 

Insights into the local atomic arrangements of layered Ge-Sb-Te compounds are of particular importance from a fundamental point of view and for data storage applications. In this …

 
 
 
 
 
 

Thermal conductivity of polymer composites with the geometrical characteristics of graphene nanoplatelets

 
 

Hyun Su Kim, Hyun Sung Bae, Jaesang Yu et al.

 
 

One of the most important physical factors related to the thermal conductivity of composites filled with graphene nanoplatelets (GNPs) is the dimensions of the GNPs, that is, …

 
 
 
 
 
 

Ultra-high density optical data storage in common transparent plastics

 
 

Deepak L. N. Kallepalli, Ali M. Alshehri, Daniela T. Marquez et al.

 
 

The ever-increasing demand for high data storage capacity has spurred research on development of innovative technologies and new storage materials. Conventional GByte optical …

 
 
 
 
 
 

Bio-inspired Hybrid Carbon Nanotube Muscles

 
 

Tae Hyeob Kim, Cheong Hoon Kwon, Changsun Lee et al.

 
 

There has been continuous progress in the development for biomedical engineering systems of hybrid muscle generated by combining skeletal muscle and artificial structure. The …

 
 
 
 
 
 

Metallic glassy Zr70Ni20Pd10 powders for improving the hydrogenation/dehydrogenation behavior of MgH2

 
 

M. Sherif El-Eskandarany

 
 

Because of its low density, storage of hydrogen in the gaseous and liquids states possess technical and economic challenges. One practical solution for utilizing hydrogen in …

 
 
 
 
 
 

Identification of Leishmania donovani Topoisomerase 1 inhibitors via intuitive scaffold hopping and bioisosteric modification of known Top 1 inhibitors

 
 

Rajinikanth Mamidala, Papiya Majumdar, Kunal Kumar Jha et al.

 
 

A library of arylidenefuropyridinediones was discovered as potent inhibitors of Leishmania donovani Topoisomerase 1 (LdTop1) where the active molecules displayed considerable …

 
 
 
 
 
 

Multicolour Multilevel STED nanoscopy of Actin/Spectrin Organization at Synapses

 
 

Sven C. Sidenstein, Elisa D’Este, Marvin J. Böhm et al.

 
 

Superresolution fluorescence microscopy of multiple fluorophores still requires development. Here we present simultaneous three-colour stimulated emission depletion (STED) …

 
 
 
 
 
 

HPTLC-aptastaining – Innovative protein detection system for high-performance thin-layer chromatography

 
 

Lena Morschheuser, Hauke Wessels, Christina Pille et al.

 
 

Protein analysis using high-performance thin-layer chromatography (HPTLC) is not commonly used but can complement traditional electrophoretic and mass spectrometric approaches in …

 
 
 
 
 
 

Integrated Microfluidic Isolation of Aptamers Using Electrophoretic Oligonucleotide Manipulation

 
 

Jinho Kim, Timothy R. Olsen, Jing Zhu et al.

 
 

We present a microfluidic approach to integrated isolation of DNA aptamers via systematic evolution of ligands by exponential enrichment (SELEX). The approach employs a …

 
 
 
 
 
 

Controlling Octahedral Rotations in a Perovskite via Strain Doping

 
 

A. Herklotz, A. T. Wong, T. Meyer et al.

 
 

The perovskite unit cell is the fundamental building block of many functional materials. The manipulation of this crystal structure is known to be of central importance to …

 
 
 
 
 
 

QSAR Accelerated Discovery of Potent Ice Recrystallization Inhibitors

 
 

Jennie G. Briard, Michael Fernandez, Phil De Luna et al.

 
 

Ice recrystallization is the main contributor to cell damage and death during the cryopreservation of cells and tissues. Over the past five years, many small carbohydrate-based …

 
 
 
 
 
 

Entanglement convertibility by sweeping through the quantum phases of the alternating bonds XXZ chain

 
 

Yu-Chin Tzeng, Li Dai, Ming-Chiang Chung et al.

 
 

We study the entanglement structure and the topological edge states of the ground state of the spin-1/2 XXZ model with bond alternation. We employ parity-density matrix …

 
 
 
 
 
 

Revisiting kinetic boundary conditions at the surface of fuel droplet hydrocarbons: An atomistic computational fluid dynamics simulation

 
 

Rasoul Nasiri

 
 

The role of boundary conditions at the interface for both Boltzmann equation and the set of Navier-Stokes equations have been suggested to be important for studying of multiphase …

 
 
 
 
 
 

The defect-induced localization in many positions of the quantum random walk

 
 

Tian Chen, Xiangdong Zhang

 
 

We study the localization of probability distribution in a discrete quantum random walk on an infinite chain. With a phase defect introduced in any position of the quantum random …

 
 
 
 
 
 

Fast generation of three-qubit Greenberger-Horne-Zeilinger state based on the Lewis-Riesenfeld invariants in coupled cavities

 
 

Xiao-Bin Huang, Ye-Hong Chen, Zhe Wang

 
 

In this paper, we propose an efficient scheme to fast generate three-qubit Greenberger-Horne-Zeilinger (GHZ) state by constructing shortcuts to adiabatic passage (STAP) based on …

 
 
 
 
 
 

Pressure coefficients for direct optical transitions in MoS2, MoSe2, WS2, and WSe2 crystals and semiconductor to metal transitions

 
 

F. Dybała, M. P. Polak, J. Kopaczek et al.

 
 

The electronic band structure of MoS2, MoSe2, WS2, and WSe2, crystals has been studied at various hydrostatic pressures experimentally by photoreflectance (PR) spectroscopy and …

 
 
 
 
 
 

Unique 1D Co3O4 crystallized nanofibers with (220) oriented facets as high-performance lithium ion battery anode material

 
 

Yanli Tan, Qiuming Gao, Zeyu Li et al.

 
 

A novel one-step hydrothermal and calcination strategy was developed to synthesize the unique 1D oriented Co3O4 crystal nanofibers with (220) facets on the carbon matrix derived …

 
 
 
 
 
 

Enhanced Mechanical Performance of Bio-Inspired Hybrid Structures Utilising Topological Interlocking Geometry

 
 

Lee Djumas, Andrey Molotnikov, George P. Simon et al.

 
 

Structural composites inspired by nacre have emerged as prime exemplars for guiding materials design of fracture-resistant, rigid hybrid materials. The intricate microstructure …

 
 
 
 
 
 

Elucidating the Origin of the Attractive Force among Hydrophilic Macroions

 
 

Zhuonan Liu, Tianbo Liu, Mesfin Tsige

 
 

Coarse-grained simulation approach is applied to provide a general understanding of various soluble, hydrophilic macroionic solutions, especially the strong attractions among the …

 
 
 
 
 
 

Formation of Magnetic Anisotropy by Lithography

 
 

Si Nyeon Kim, Yoon Jae Nam, Yang Doo Kim et al.

 
 

Artificial interface anisotropy is demonstrated in alternating Co/Pt and Co/Pd stripe patterns, providing a means of forming magnetic anisotropy using lithography. In-plane …

 
 
 
 
 
 

Strong infrared photoluminescence in highly porous layers of large faceted Si crystalline nanoparticles

 
 

E. M. L. D de Jong, G. Mannino, A. Alberti et al.

 
 

Almost all physical processes in solids are influenced by phonons, but their effect is frequently overlooked. In this paper, we investigate the photoluminescence of large silicon …

 
 
 
 
 
 

Novel ZnO:Al contacts to CdZnTe for X- and gamma-ray detectors

 
 

U. N. Roy, R. M. Mundle, G. S. Camarda et al.

 
 

CdZnTe (CZT) has made a significant impact as a material for room-temperature nuclear-radiation detectors due to its potential impact in applications related to nonproliferation, …

 
 
 
 
 
 

Photonic Quantum Networks formed from NV centers

 
 

Kae Nemoto, Michael Trupke, Simon J. Devitt et al.

 
 

In this article we present a simple repeater scheme based on the negatively-charged nitrogen vacancy centre in diamond. Each repeater node is built from modules comprising an …

 
 
 
 
 
 

A Relation for Nanodroplet Diffusion on Smooth Surfaces

 
 

Chu Li, Jizu Huang, Zhigang Li

 
 

In this work, we study the diffusion of nanodroplets on smooth surfaces through molecular dynamics (MD) simulations and theoretical analyses. Molecular dynamics simulations show …

 
 
 
 
 
 

Protons at the speed of sound: Predicting specific biological signaling from physics

 
 

Bernhard Fichtl, Shamit Shrivastava, Matthias F. Schneider

 
 

Local changes in pH are known to significantly alter the state and activity of proteins and enzymes. pH variations induced by pulses propagating along soft interfaces (e.g. …

 
 
 
 
 
 

Fermi-Surface Topological Phase Transition and Horizontal Order-Parameter Nodes in CaFe2As2 Under Pressure

 
 

R. S. Gonnelli, D. Daghero, M. Tortello et al.

 
 

Iron-based compounds (IBS) display a surprising variety of superconducting properties that seems to arise from the strong sensitivity of these systems to tiny details of the …

 
 
 
 
 
 

The analysis of the influence of fractal structure of stimuli on fractal dynamics in fixational eye movements and EEG signal

 
 

Hamidreza Namazi, Vladimir V. Kulish, Amin Akrami

 
 

One of the major challenges in vision research is to analyze the effect of visual stimuli on human vision. However, no relationship has been yet discovered between the structure …

 
 
 
 
 
 

Novel chitosan/diclofenac coatings on medical grade stainless steel for hip replacement applications

 
 

Matjaž Finšgar, Amra Perva Uzunalić, Janja Stergar et al.

 
 

Corrosion resistance, biocompatibility, improved osteointegration, as well the prevention of inflammation and pain are the most desired characteristics of hip replacement …

 
 
 
 
 
 

A Single-Level Tunnel Model to Account for Electrical Transport through Single Molecule- and Self-Assembled Monolayer-based Junctions

 
 

Alvar R. Garrigues, Li Yuan, Lejia Wang et al.

 
 

We present a theoretical analysis aimed at understanding electrical conduction in molecular tunnel junctions. We focus on discussing the validity of coherent versus incoherent …

 
 
 
 
 
 

Anisotropic metal growth on phospholipid nanodiscs via lipid bilayer expansion

 
 

Jana Oertel, Adrian Keller, Julia Prinz et al.

 
 

Self-assembling biomolecules provide attractive templates for the preparation of metallic nanostructures. However, the intuitive transfer of the “outer shape” of the assembled …

 
 
 
 
 
 

Surface Plasmon Enhanced Photocatalysis of Au/Pt-decorated TiO2 Nanopillar Arrays

 
 

Shuang Shuang, Ruitao Lv, Zheng Xie et al.

 
 

The low quantum yields and lack of visible light utilization hinder the practical application of TiO2 in high-performance photocatalysis. Herein, we present a design of TiO2

 
 
 
 
 
 

A compact light-sheet microscope for the study of the mammalian central nervous system

 
 

Zhengyi Yang, Peter Haslehurst, Suzanne Scott et al.

 
 

Investigation of the transient processes integral to neuronal function demands rapid and high-resolution imaging techniques over a large field of view, which cannot be achieved …

 
 
 
 
 
 

Engineering a 3D microfluidic culture platform for tumor-treating field application

 
 

Andrea Pavesi, Giulia Adriani, Andy Tay et al.

 
 

The limitations of current cancer therapies highlight the urgent need for a more effective therapeutic strategy. One promising approach uses an alternating electric field; …

 
 
 
 
 
 

QwikMD — Integrative Molecular Dynamics Toolkit for Novices and Experts

 
 

João V. Ribeiro, Rafael C. Bernardi, Till Rudack et al.

 
 

The proper functioning of biomolecules in living cells requires them to assume particular structures and to undergo conformational changes. Both biomolecular structure and motion …

 
 
 
 
 
 
   
 
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