bluuebunny/crossref_metadata_2025 huggingface dataset:
Ultrastructural and SINS analysis of the cell wall integrity response ofAspergillus nidulansto the absence of galactofuranose
Authors: Bakir Görkem , Girouard Benoit E. , Johns Robert W. , Findlay Catherine R.-J. , Bechtel Hans A. , Eisele Max , Kaminskyj Susan G. W. , Dahms Tanya E. S. , Gough Kathleen M.
Published: November 2018

With lethal opportunistic fungal infections on the rise, it is imperative to explore new methods to examine virulence mechanisms.
A two-photon ratiometric fluorescent probe for highly selective sensing of mitochondrial cysteine in live cells
Authors: Fan Li , Zhang Wenjia , Wang Xiaodong , Dong Wenjuan , Tong Yaoli , Dong Chuan , Shuang Shaomin
Published: November 2018

We report a novel two-photon ratiometric fluorescent probe (DNEPI) for highly selective sensing mitochondrial Cys in live cells.
Polymeric micro- and nanoparticles for immune modulation
Authors: Ben-Akiva Elana , Est Witte Savannah , Meyer Randall A. , Rhodes Kelly R. , Green Jordan J.
Published: November 2018

New advances in biomaterial-based approaches to modulate the immune system are being applied to treat cancer, infectious diseases, and autoimmunity.
A polyfluoroalkyl substituted phthalocyanine based supramolecular light switch for photothermal and photodynamic antibacterial activity against Escherichia coli
Authors: Chen Xiuqin , Wu Shijun , Ma Dongdong , Chen Jianling , Guo Qiumei , Han Xiangyi , Chen Kuizhi , Yang Hongqing , Huang Yide , Peng Yiru
Published: November 2018

A polyfluoroalkyl phthalocyanine based supramolecular light switch was assembled and it exhibited synergic photothermal and photodynamic antibacterial activity upon irradiation with light.
Mechanochromic luminescent covalent organic frameworks for highly selective hydroxyl radical detection
Authors: Liu Wei , Cao Yuping , Wang Wenzhuang , Gong Deyan , Cao Ting , Qian Jing , Iqbal Kanwal , Qin Wenwu , Guo Huichen
Published: November 2018

The mechanochromic luminescence phenomenon was first reported in the low-cost mechanochemical (MC) synthesis process of a covalent organic framework (COF-TpMA (MC)) which shows excellent performance as a hydroxyl radical detector in living systems.
Synergy between ultrasonication and a polymer matrix in reducing particle size of molecular explosives during crystallization
Authors: Lee Soojin , Lee Jumi , Kwon Kuktae , Ko Eunhee , Lee Eunji , Yu Chung-Jong , Shin Kwanwoo , Kim Jungwook
Published: November 2018

A molecular explosive was crystallized inside the polymer matrix by quenching while applying ultrasound.
Two dimensional boron nanosheets: synthesis, properties and applications
Authors: Shang Jing , Ma Yandong , Gu Yuantong , Kou Liangzhi
Published: November 2018

As a material generating increasing interest, boron nanosheets have been reviewed from the perspective of their synthesis, properties, application and possible research directions.
Distribution of water in the pores of periodic mesoporous organosilicates – a proton solid state MAS NMR study
Authors: Veena V. S. , Illath Kavya , Lazar Anish , Vinod C. P. , Ajithkumar T. G. , Jayanthi S.
Published: November 2018

Proposed model of water layers and pore filling in ethane substituted periodic mesoporous organosilicates (PMOE) based on analysis of solid state magic angle spinning (MAS) proton NMR spectra.
Influences of carboxyl functionalization of intercalators on exfoliation of graphite oxide: a molecular dynamics simulation
Authors: Choi Hoi Kil , Oh Yuna , Jung Hana , Hong Hyunkee , Ku Bon-Cheol , You Nam-Ho , Kim Young-Kwan , Shin Eui Sup , Yu Jaesang
Published: November 2018

In this study, the influences of the carboxyl functionalization of intercalators on exfoliation of graphite oxide were analyzed using molecular dynamics (MD) simulations.
Dissociation of [HCCH]2+ to H2+ and C2+: a benchmark reaction involving H migration, H–H combination, and C–H bond cleavage
Authors: Xu Shenyue , Zhao Hongyan , Zhu Xiaolong , Guo Dalong , Feng Wentian , Lau Kai-Chung , Ma Xinwen
Published: November 2018

We report the formation of H2+ and C2+ from dissociation of acetylene induced by α-particle irradiation.
The adverse role of excess negative ions in reducing the photoluminescence from water soluble MAA–CdSe/ZnS quantum dots in various phosphate buffers
Authors: Chaudhry Madeeha , Lim Dong-Kwon , Qamar Raheel , Bhatti Arshad Saleem
Published: November 2018

The photoluminescence characteristics of water soluble MAA conjugated CdSe/ZnS QDs show strong dependence on the ions present in various buffer media.
Per- and polyfluoroalkyl substances and fluorine mass balance in cosmetic products from the Swedish market: implications for environmental emissions and human exposure
Authors: Schultes Lara , Vestergren Robin , Volkova Kristina , Westberg Emelie , Jacobson Therese , Benskin Jonathan P.
Published: November 2018

Occurrence of PFASs, total fluorine and extractable organic fluorine in cosmetic products and their importance to human and environmental exposure.
Fabrication of 2D metal–organic framework nanosheets with tailorable thickness using bio-based surfactants and their application in catalysis
Authors: Zhang Xiudong , Zhang Pei , Chen Chunjun , Zhang Jianling , Yang Guanying , Zheng Lirong , Zhang Jing , Han Buxing
Published: November 2018

Metal–organic framework (MOF) nanosheets with controlled thickness can be fabricated by bio-based surfactant-mediated coordination strategy.
Applications of laser-induced breakdown spectroscopy in cultural heritage and archaeology: a critical review
Authors: Botto Asia , Campanella Beatrice , Legnaioli Stefano , Lezzerini Marco , Lorenzetti Giulia , Pagnotta Stefano , Poggialini Francesco , Palleschi Vincenzo
Published: November 2018

In this paper, we present a critical review on the applications of the Laser-Induced Breakdown Spectroscopy (LIBS) technique in cultural heritage and archaeology.
Advanced cell culture platforms: a growing quest for emulating natural tissues
Authors: Mirbagheri Marziye , Adibnia Vahid , Hughes Bethany R. , Waldman Stephen D. , Banquy Xavier , Hwang Dae Kun
Published: November 2018

Topographical substrates, controlling cell adhesion in two and three dimensions, are reviewed and compared with two- and three-dimensional models.
Unveiling exceptionally robust valley contrast in AA- and AB-stacked bilayer WS2
Authors: Wang Yanlong , Cong Chunxiao , Shang Jingzhi , Eginligil Mustafa , Jin Yuqi , Li Gang , Chen Yu , Peimyoo Namphung , Yu Ting
Published: November 2018

Phonon depletion in the indirect recombination process of bilayer WS2 has been proposed to unveil exceptionally robust valley polarization.
Two isomers of a bis(diphenylphosphino)phosphinine, and the synthesis and reactivity of Ru arene/Cp* phosphinophosphinine complexes
Authors: Newland Robert J. , Delve Matthew P. , Wingad Richard L. , Mansell Stephen M.
Published: November 2018

Two isomers of a bis(diphenylphosphino)phosphinine have been synthesised, and the Ru coordination chemistry of a 2-phosphinophosphinine extended to include reactions of H2O across a PC double bond.
A molecular roundabout: triple cyclically arranged hydrogen bonds in light of experiment and theory
Authors: Kwocz Agnieszka , Jan Panek Jarosław , Jezierska Aneta , Hetmańczyk Łukasz , Pawlukojć Andrzej , Kochel Andrzej , Lipkowski Paweł , Filarowski Aleksander
Published: November 2018

This paper dwells on the synthesis and diverse studies of cyclically arranged hydrogen bridges in tris-hydroxy aryl Schiff bases. Experimental (IINS, IR, Raman and X-ray) and theoretical (CPMD, DFTP and DFT) studies of tris-hydroxy aryl Schiff bases have been performed in the solid state.
Porous organic polymers based on melamine and 5,5′-bis(bromomethyl)-2,2′-bipyridine: functionalization with lanthanide ions for chemical sensing and highly efficient adsorption of methyl orange
Authors: Li Gang , Fang Huaifang , Jiang Danyong , Zheng Guoli
Published: November 2018

Microporous POP-1 displays extremely fast adsorption of MO dyes. Moreover, Eu3+@POP-1 for chemical sensing can be easily prepared by a postsynthetic method.
Facile fabrication of porous Co3O4 nanowires for high performance supercapacitors
Authors: Xu Yanan , Ding Qiao , Li Li , Xie Zhengjun , Jiang Gaoxue
Published: November 2018

One-dimensional porous Co3O4 nanowires with excellent electrochemical performance have been successfully synthesized assisted by thermal decomposition of a coordination polymer, using nitrilotriacetic acid (NA) as a chelating agent.
Protein denaturation caused by heat inactivation detrimentally affects biomolecular corona formation and cellular uptake
Authors: Simon Johanna , Müller Julius , Ghazaryan Artur , Morsbach Svenja , Mailänder Volker , Landfester Katharina
Published: November 2018

Adsorption of blood proteins to the surface of nanocarriers is known to be the critical factor influencing cellular interactions and eventually determining the successful application of nanocarriers as drug carriersin vivo.
Reply to the comment on “Causation or only correlation? Application of causal inference graphs for evaluating causality in nano-QSAR models” by D. A. Tasi, J. Csontos, B. Nagy, Z. Kónya and G. Tasi, Nanoscale, 2018, 10, C8NR02377H
Authors: Sizochenko Natalia , Gajewicz Agnieszka , Leszczynski Jerzy , Puzyn Tomasz
Published: November 2018

The application of the new methods does not lead to substantial differences in the interpretation of the structural factors.
I2-Triggered N–O cleavage of ketoxime acetates for the synthesis of 3-(4-pyridyl)indoles
Authors: Gao Qinghe , Wang Yakun , Wang Qianqian , Zhu Yanping , Liu Zhaomin , Zhang Jixia
Published: November 2018

An I2-triggered condensation annulation of aryl ketoxime acetates and 3-formylindoles to produce diverse 3-(4-pyridyl)indoles via generating iminyl radicals.
Transition metal-free base-promoted arylation of sulfenate anions with diaryliodonium salts
Authors: Wang Lei , Chen Mingjie , Zhang Junliang
Published: November 2018

A base-promoted formal arylation of general sulfenate anions with diaryliodonium salts under transition-metal-free conditions has been described.
Cross-dehydrogenative alkynylation of sulfonamides and amides with terminal alkynesviaIr(iii) catalysis
Authors: Wu Guocai , Ouyang Wensen , Chen Qian , Huo Yanping , Li Xianwei
Published: November 2018

Primary sulfonamides are widely used structural skeletons in bioactive molecules, however their direct modificationviaC–H functionalization remains to be developed.
A sensitive fluorescent sensor for the detection of trace water in organic solvents based on carbon quantum dots with yellow fluorescence
Authors: Wei Jianfei , Li Haikuo , Yuan Ye , Sun Chenying , Hao Dan , Zheng Guo , Wang Rui
Published: November 2018

A simple fluorescent sensor for water content based on carbon quantum dots with yellow fluorescence was first demonstrated.
Polymer margination in uniform shear flows
Authors: Balasubramanian Venkat , Denniston Colin
Published: November 2018

We address the issue of polymer margination (migration towards surfaces) in uniform shear flows through extensive LBMD (lattice-Boltzmann molecular dynamics) simulations.
Improved conversion efficiency of 10% for solid-state dye-sensitized solar cells utilizing P-type semiconducting CuI and multi-dye consisting of novel porphyrin dimer and organic dyes
Authors: Kato Naohiko , Moribe Shinya , Shiozawa Masahito , Suzuki Ryo , Higuchi Kazuo , Suzuki Akira , Sreenivasu Mareedu , Tsuchimoto Katsuya , Tatematsu Koji , Mizumoto Katsuyoshi , Doi Shoichi , Toyoda Tatsuo
Published: November 2018

To realize highly efficient solid-state dye-sensitized solar cells (SDSCs), the absorption range of the dye should be extended to the near-IR range to increase short-circuit current density (Jsc); a high Jsc in turn requires a highly conductive p-type semiconductor.
Paragenesis BN/CNTs hybrid as a monoclinic sulfur host for high rate and ultra-long life lithium–sulfur battery
Authors: He Bin , Li Wen-Cui , Zhang Yu , Yu Xiao-Fei , Zhang Bingsen , Li Feng , Lu An-Hui
Published: November 2018

A paragenesis BN/CNT hybrid was prepared via a one-step co-pyrolysis method. Used as a sulfur host for Li–S batteries, the cathode exhibits high active-sulfur utilization, superior cycling stability and excellent rate capability.
Enhanced photocatalytic CO2valorization over TiO2hollow microspheres by synergetic surface tailoring and Au decoration
Authors: Liu Xueyan , Ye Meng , Zhang Shuping , Huang Guocheng , Li Chuanhao , Yu Jiaguo , Wong Po Keung , Liu Shengwei
Published: November 2018

Photocatalytic CO2reduction to CH4and CO with high activity and selectivity over surface host–guest tailored TiO2hollow microspheres.
Fluorescence turn-off Ag/fluorinated graphene composites with high NIR absorption for effective killing of cancer cells and bacteria
Authors: Gong Peiwei , Wang Fei , Guo Feifei , Liu Jinfeng , Wang Bin , Ge Xingxing , Li Shuohan , You Jinmao , Liu Zhe
Published: November 2018

This study establishes FGO–Ag as a novel fluorescence “turn-off” nanocarrier with good targeting efficiency and high NIR absorption and drug loading; it also demonstrates its application in antibacterial and cancer chemo-photothermal treatments.
Tough and durable hydrogels with robust skin layers formedviasoaking treatment
Authors: Guo Guoqiang , Chen Yuanzhou , Liu Xiaoyu , Zhu Dong Yu , Zhang Bo , Lin Nengming , Gao Liang
Published: November 2018

Simple soaking treatment generates layered hydrogels with a combination of superior mechanics and chemical robustness.
From C60Ph5Cl to C60Ph6: complete phenylation of C60 derivative renders superior organic photovoltaic performance
Authors: Xue Lan , Tian Chengbo , Liang Hua , Deng Linlong , Tan Yuanzhi , Wei Zhanhua , Xie Suyuan
Published: November 2018

The fully phenylated C60 derivative C60Ph6 for organic solar cells with high open-circuit voltage of 1.04 V.
Effects of indoor coal fine particulate matter on the expression levels of inflammatory factors in ovalbumin-induced mice
Authors: Yu Jie , Tang Yin , Xu Jie
Published: November 2018

Objective: Cooking and heating with coal is the main source of household air pollution in acid rain-plagued areas of China and is a leading contributor to disease burden.
Minimally Detectable Change and Minimal Clinically Important Difference of a Decline in Sentence Intelligibility and Speaking Rate for Individuals With Amyotrophic Lateral Sclerosis
Authors: Stipancic Kaila L. , Yunusova Yana , Berry James D. , Green Jordan R.
Published: November 2018

Purpose

The purpose of this study was to determine the minimally detectable change (MDC) and minimal clinically important difference (MCID) of a decline in speech sentence intelligibility and speaking rate for individuals with amyotrophic lateral sclerosis (ALS). We also examined how the MDC and MCID vary across severities of dysarthria.

Method

One-hundred forty-seven patients with ALS and 49 healthy control subjects were selected from a larger, longitudinal study of bulbar decline in ALS, resulting in a total of 650 observations. Intelligibility and speaking rate in words per minute (WPM) were calculated using the Sentence Intelligibility Test (Yorkston, Beukelman, & Hakel, 2007), and the ALS Functional Rating Scale–Revised (Cedarbaum et al., 1999) was administered to capture patient perception of motor impairment. The MDC at the 95% confidence level was estimated using the following formula: MDC
95
= 1.96 × √2 ×
SEM
. For estimation of the MCID, receiver operating characteristic curves were generated, and area under the curve and optimal thresholds to maximize sensitivity and specificity were calculated.

Results

The MDC for sentence intelligibility was 12.07%, and the MCID was 1.43%. The MDC for speaking rate was 36.57 WPM, and the MCID was 8.80 WPM. Both MDC and MCID estimates varied with severity of dysarthria.

Conclusions

The findings suggest that declines greater than 12% sentence intelligibility and 37 WPM are required to be outside measurement error and that these estimates vary widely across dysarthria severities. The MDC and MCID metrics used in this study to detect real and clinically relevant change should be estimated for other measures of speech outcomes in intervention research.
Through‐the‐wall radar clutter mitigation using stepped‐frequency signal
Authors: Zheng Chen , Xi Xiaoli , Song Zhongguo
Published: November 2018

Through‐the‐wall radar is widely used in civil and military applications. However, the echo from the target behind the wall is often buried in the wall reflections and other clutter waves. An effective subspace selection method based on singular value decomposition for wall clutter mitigation is presented. Furthermore, the Akaike information criterion method is employed for noise clutter mitigation. Experimental results with real data demonstrate the correctness and effectiveness of the proposed algorithm.
Collaborative unbalance compensation method for high‐speed railway traction power supply system considering energy feedback
Authors: Yuan Jiaxin , Xiao Feiran , Zhang Chenmeng , Chen Yaojun , Ni Zhou , Zhong Yongheng
Published: November 2018

The unbalance current issue of the high‐speed railway is the most prominent power quality of the traction power supply systems. Bullet trains can generate energy feedback when they brake, which should not be neglected. In this study, the effects of energy feedback on the unbalance issue are analysed, under different operating conditions of the trains. A collaborative unbalance compensation method (CUCM) for the high‐speed railway is proposed in this work to lower the compensation capacity of the expensive power electronics compensation devices. To ensure that the CUCM works well, a further analysis of the two compensation principles, the railway power conditioner principle and Steinmetz principle, was carried out. The analysis results showed that the two compensation principles have different implementation methods and compensation current expressions, but the compensation essences were the same. According to the principle analysis results, a collaborative strategy was used. A capacity analysis of the CUCM, based on the actual operating situations of the bullet trains, was also completely done in this study. The simulation and experimental results showed that the proposed CUCM could adequately compensate the unbalance current of the high‐speed railway power systems well with a low cost, in both traction and energy feedback situations.
Detecting the imprint of a kilonova or supernova in short gamma-ray burst afterglows
Authors: Guessoum N. , Zitouni H. , Mochkovitch R.
Published: November 2018

Context. Short gamma-ray bursts (GRBs) result from mergers of two neutron stars or from collapsars, but probably at a smaller rate. In the first case, a kilonova occurs while in the second case a Type Ic supernova is expected.

Aims. Even if future observations of kilonovae in association with gravitational wave events provide better data, detecting a kilonova during an afterglow follow-up would remain useful for exploring the diversity of the kilonova phenomenon. As supernovae produce a weaker gravitational signal, afterglow follow-up will be the only possible method to find one. In this work, we identify the conditions of the burst energy, external density, kilonova mass, supernova luminosity, that are necessary for the detection of a kilonova or supernova in the follow-up of short GRB afterglows.

Methods. We have used a simple kilonova model to obtain the peak luminosities and times as a function of mass, expansion velocity and ejected matter opacity. Afterglow light curves are computed for a uniform medium and a stellar wind, in the kilonova and supernova cases, respectively.

Results. We represent, using diagrams of the burst kinetic energy vs. density of the external medium, the domains where the kilonova or supernova at maximum is brighter than the afterglow. In the kilonova case we vary the mass, the jet opening angle and the microphysics parameters; for supernovae, we consider SN 98bw-like and ten times dimmer events, and again vary the jet opening angle and the microphysics parameters.
Semi-analytical transient solutions of fully thermomechanical coupled problem for sliding contact
Authors: An Zijun , Sun Pengfei
Published: November 2018

The semi-analytical transient solutions of fully thermomechanical coupling for sliding contact have been deduced by using the plane-point heat source equivalent method, the thermoelastic displacement potential and the central difference method. To improve the calculated efficiency, the discrete convolution and fast Fourier transform are applied. The effects of coupled term, sliding velocity, frictional coefficient and initial temperature on temperature rise and the influence of thermal behavior on stress are studied. Results indicate that the coupled term can significantly affect the temperature rise for high velocity and it can be ignored for low velocity; the temperature rise is sensitive to the sliding velocity and the frictional coefficient; the Mises stress on the contact patch is decreased when considering thermal effect.
Association of Daily Step Count with the Prolonged Air Leak in Thoracic Surgery Patients
Authors: Kavurmaci Önder , Ozdil Ali , Akçam Tevfik Ilker , Ergonul Ayse Gul , Turhan Kutsal , Cakan Alpaslan , Cagirici Ufuk
Published: November 2018

Background In thoracic surgery clinics, patients are encouraged to walk; however, to our knowledge, there is no data regarding the minimum step count necessary to protect them from complications. In our study, we aim to ascertain the relationship between walking and prolonged air leak (PAL), which is one of the most common complications following thoracic surgery.

Methods Patients, who were being followed-up at our clinic between December 2016 and July 2017, were separated into three groups and were investigated prospectively. The groups were established as follows: Group I, included patients with spontaneous pneumothorax; Group II, comprised patients who were applied sublobar lung resection; and Group III, comprised (pneumonectomy excluded) patients who were applied anatomic lung resection. All the patients were supplied with a standard pedometer. The step counts of the patients were recorded prospectively, beginning from the first postoperative day, and an attempt was made to establish the relationship between the patients' daily and mean step counts and the development of PAL.

Results PAL developed in 11 (39.29%) of the 28 patients in Group I; in 1 (2.04%) of the 49 patients in Group II and in 22 (36.07%) of the 61 patients in Group III. When receiver operating characteristic (ROC) analysis was applied to the data of Group I, and when the cut-off value for the first-day step count was confirmed to be 2,513 steps, it was revealed that the development of PAL could be determined with a sensitivity of 100% and a specificity of 100%. The analysis of the patients in Group III revealed significant correlations between the first-day and second-day step counts, and the development of PAL (p = 0.017 and 0.007, respectively). The development of PAL decreased as walking was maximized.

Conclusion Early and sufficient mobilization decreases the likelihood of postoperative complications. Our study defines concepts, such as post-operative daily step count, target step count, and step count protecting from PAL, and in this regard, we consider it to be a primary study in the literature.
Endoscopic Management of Gastrointestinal Bleeding
Authors: Diaz Ramon , Davalos Gerardo , Guerron Alfredo
Published: November 2018

Background Gastrointestinal bleeding (GIB) represents a significant cause of morbidity and mortality. The primary diagnostic and therapeutic tool is endoscopy. New devices are being developed and employed that facilitate the management of this pathology. In this review, we show the status of endoscopic management of digestive hemorrhage, current practices, and future directions.

Methods We explore the management of patients with GIB (upper and lower). Besides, we analyzed the diagnostic methods in occult digestive hemorrhage. We show the evidence collected so far, and how each therapeutic method can be applied.

Results GIB constitutes a challenge for the attending physician. Different therapeutic procedures are available. Less invasive devices have a role in the diagnosis but not therapy. The use of risk stratification is well established for upper bleeding, but for lower bleeding, there is still no evidence to support the use of these scores. Knowledge of altered anatomy is crucial in special populations.

Conclusion A variety of procedures are available for the treatment of GIB. Emphasis should be placed on less invasive diagnostic techniques as well as on new and more efficient therapies. Attention should be given to the initial management, with timely diagnosis and effective resuscitation to decrease the morbidity and mortality.
Classification of Pediatric Supracondylar Fractures: Comparison between the Gartland and the Lagrange & Rigault Classifications
Authors: Grazina Rita , Oliveira Márcio , Marinhas José , Ferreira Andreia , Costa André , Rodrigues Domingues , Santos Mafalda
Published: November 2018

Background The supracondylar fracture of the humerus is one of the most common fractures in pediatric age. Many classifications were proposed, with Gartland being the most widely used one and Lagrange and Rigault (L&R) the most used in French-speaking countries.

Objectives The goal of this study was to compare the Wilkins-modified Gartland classification with the L&R classification in terms of reproducibility.

Methods Three observers with similar training levels classified 35 fractures according to both classifications twice to evaluate both intra and interobserver variation.

Results The mean intraobserver variation was 0.78 and 0.77 for Gartland and L&R classifications, respectively, and the mean interobserver variation was 0.55 and 0.62 for Gartland and L&R classifications, respectively.

Conclusions Both classifications reveal adequate to usage in clinical and investigational practices, which is consistent with the literature.
Generalized synchronization in a conservative and nearly conservative systems of star network
Authors: Sabarathinam S. , Prasad Awadhesh
Published: November 2018

We report the coexistence of synchronized and unsynchronized states in a mutually coupled star network of nearly conservative non-identical oscillators. Generalized synchronization is observed between the central oscillator with the peripherals, and phase synchronization is found among the peripherals in weakly dissipative systems. However, the basin size of the synchronization region decreases as dissipation strength is increased. We have demonstrated these phenomena with the help of Duffing and Lorenz84 oscillators with conservative, nearly conservative, and dissipative properties. The observed results are robust against the network size.
A sequential nanopore-channel device for polymer separation
Authors: Magill Martin , Waller Ed , de Haan Hendrick W.
Published: November 2018

In this work, we investigated whether a series of nanopores connected by channels can be used to separate polymer mixtures by molecular size. We conducted multiscale coarse-grained simulations of semiflexible polymers driven through such a device. Polymers were modelled as chains of beads near the nanopores and as single particles in the bulk of the channels. Since polymers rarely escape back into the bulk of the channels after coming sufficiently close to the nanopores, the more computationally expensive simulations near the pores were decoupled from those in the bulk. The distribution of polymer positions after many translocations was deduced mathematically from simulations across a single nanopore-channel pair, under the reasonable assumption of identical and independent dynamics in each channel and each nanopore. Our results reveal rich polymer dynamics in the nanopore-channel device and suggest that it can indeed produce polymer separation. As expected, the mean time to translocate across a single nanopore increases with the chain length. Conversely, the mean time to cross the channels from one nanopore to the next decreases with the chain length, as smaller chains explore more of the channel volume between translocations. As such, the time between translocations is a function of the length and width of the channels. Depending on the channel dimensions, polymers are sorted by increasing length, decreasing length, or non-monotonically by length such that polymers of an intermediate size emerge first.
Photoresponsive behavior of electron-beam irradiated MoS2 films
Authors: Gu Hyun Ho , Kim Bong Ho , Yoon Young Joon
Published: November 2018

We herein aim to improve the understanding of the photoresponsive behavior of electron-beam irradiated MoS2 films. In this context, MoS2-based photodetectors were fabricated via sputtering and electron beam irradiation (EBI). The structural transformation imparted on MoS2 through EBI and the relationship between the structural, stoichiometric, and photoelectric properties of the synthesized MoS2 were investigated. MoS2 channels displayed a remarkable photoresponse in the visible light region. More specifically, MoS2 treated with 3 kV-EBI showed a responsivity of 7.61 mA/W when illuminated by a 450 nm laser, which is a 970% increase from that of the as-deposited MoS2. The variation of the time-dependent photocurrent with respect to the EBI parameters employed was attributed to the internal defects of MoS2. We concluded that EBI is a low-temperature process that is compatible with sputtering, and it exhibits potential for application in the area of flexible optoelectronics.
Conformationally averaged iterative Brownian dynamics simulations of semidilute polymer solutions
Authors: Young Charles D. , Marvin Michael , Sing Charles E.
Published: November 2018

The dynamics of semidilute polymer solutions are important to many polymer solution processing techniques such as fiber spinning and solution printing. The out-of-equilibrium molecular conformations resulting from processing flows directly impact material properties. Brownian dynamics (BD) simulations are a standard technique for studying this connection between polymer conformations in solution and processing flows because they can capture molecular-level polymer dynamics. However, BD simulations of semidilute polymer solutions are computationally limited by the calculation of hydrodynamic interactions (HIs) via an Ewald summed diffusion tensor and stochastic Brownian displacements via the decomposition of the diffusion tensor. Techniques based on the Cholesky decomposition scale with the number of particles N as O(N3) and approximations in the literature have reduced this scaling to as low as O(N). These methods still require continuous updating of the diffusion tensor and Brownian displacements, resulting in a significant constant per-time step cost. Previously, we introduced a method that avoids this cost for dilute polymer solutions by iterative conformational averaging (CA) of intramolecular HIs. In this work, we extend the CA method to semidilute solutions by introducing a grid-space average of intermolecular HIs and a pairwise approximation to the Brownian displacements based on the truncated expansion ansatz of Geyer and Winter. We evaluate our method by first comparing the computational cost with that of other simulation techniques. We verify our approximations by comparison with expected results for static and dynamic properties at equilibrium and use our method to demonstrate the concentration dependence of HI screening.
Reflection-mode optical-resolution photoacoustic microscopy with high detection sensitivity by using a perforated acoustic mirror
Authors: Zhang Xiang , Ding Qiuning , Qian Xiaoqin , Tao Chao , Liu Xiaojun
Published: November 2018

Detection sensitivity is one key factor determining the performance of an optical-resolution photoacoustic microscopy (OR-PAM) system. High detection sensitivity means a higher signal-to-noise ratio, cleaner images, and better biological safety. We demonstrate a reflection mode OR-PAM with high detection sensitivity by using a flat perforated acoustic mirror and a commercial focused ultrasound transducer. The proposed optical-acoustic combiner can provide optical-acoustic confocal alignment on the same side of the sample, low acoustic insert loss, and an undistorted optical path. Experimental measurements demonstrated its detection sensitivity and imaging quality. Finally, the real practical performance of this system was preliminarily examined by in vivo imaging of the capillaries in the ear of nude mice and the nevus on a volunteer's hand. Therefore, benefitting from the proposed design and the fine balance between sensitivity, resolution, reflection mode, and ease of implementation, the proposed system might have valuable biomedical applications.
Anomalous packing and dynamics of a polymer chain confined in a static porous environment
Authors: Dell Zachary E. , Muthukumar M.
Published: November 2018

Polymers in confined porous environments are ubiquitous throughout biology, physics, materials science, and engineering. Several experiments have suggested that in some porous environments, chain dynamics can become extremely slow. While phenomenological explanations exist, the exact mechanisms for these slow dynamics have not been fully characterized. In this work, we initiate a joint simulation–theory study to investigate chain packing and dynamics in a static porous environment. The main theoretical concept is the free energy of the chain partitioning into several chambers of the porous environment. Both the theoretical results and Langevin dynamics simulations show that chain packing in each of the chambers is predominantly independent of chain length; it is determined by the maximal packing of segments in each chamber. Dynamically, short chains (compared to the chamber size) become trapped in a single chamber and dynamics become extremely slow, characteristic of an Ogston sieving-like behavior. For longer chains, on the other hand, a hierarchy of slow dynamics is observed due to entropic trapping, characterized by sub-diffusive behavior and a temporary plateau in the mean square displacement. Due to the slow nature of the dynamics, the inevitable long-time diffusive behavior of the chains is not captured by our simulations. Theoretically, the slow dynamics are understood in terms of a free energy barrier required to thread the chain from one chamber to the next. There is overall qualitative and quantitative agreement between simulations and theory. This work provides foundations for a better understanding of how chain dynamics are affected by porous environments.
Candidate explanation for the mild core oscillations in dominant electron heating scenario on experimental advanced superconducting tokamak
Authors: Li Erzhong , Zang Q. , Liu H. , Li Y. , Wu G. , Qian J. , Xu L. , Hu L. , Gong X.
Published: November 2018

The interchange-like transport is observed between two resonant surfaces (q = 1 and q = 4/3, where q is the safety factor) in a finite small positive magnetic shear regime with mild core oscillations in the experimental advanced superconducting tokamak strong on-axis electron heating H-mode plasmas. It is synchronized with the increasing gradient of the soft X-ray profile and the intensifying electron density fluctuations in the core. The analysis of two-fluid simulations combined with experimental measurements indicates the destabilization of collective resistive interchange modes with several toroidal mode numbers. The overall effect of modes leads to strong perturbations at the two resonant surfaces in contrast to that between them where the anomalous electron flux is low. Their radial displacement is beyond the resistive layer width which satisfies the condition for the nonlinear destabilization of tearing modes [L. Comisso et al., Phys. Plasmas 23, 100702 (2016)]. Evidence and analysis shown in this paper tend to understand the mechanism of mild oscillations in the core.
Enhancing the thermoelectric properties of TiNiSn by transition metals co-doped on the Ti-site of Ti0.5TMI0.25TMII0.25NiSn: A first-principles study
Authors: Rittiruam Meena , Yangthaisong Anucha , Seetawan Tosawat
Published: November 2018

Ti0.5Zr0.25Hf0.25NiSn provides a high dimensionless figure of merit (ZT) of 1.2 at a mid-range temperature for an n-type half-Heusler thermoelectric (TE) material, which is our motivation for this study. In this paper, we present theoretical studies of the electronic structure and TE properties of a transition metal (TM) co-doped Ti-site of TiNiSn with the formula Ti0.5TMI0.25TMII0.25NiSn, where TM is Sc, Zr, Hf, V, Nb, or Mn. The calculated Löwdin charges showed that the TM had given a charge to the Ti atom and had affected the Ti-d state in the partial density of state (PDOS). The band structure and PDOS showed that co-doping with ZrNb, ZrV, HfV, HfNb, VNb, ScMn, ZrMn, or HfMn created electron-pockets in the Fermi energy level (EF) and conduction band. The TiNiSn, ScV, ScNb, and ZrHf show a large S that indicates semiconductor behavior, while ScMn, ZrV, ZrNb, ZrMn, HfV, HfNb, HfMn, and VNb show a very narrow S that indicates metal-like behavior due to the electron-pocket. The calculated lattice thermal conductivity of TiNiSn is 4.8 W m−1 K−1, which decreased to 4.27–2.42 W m−1 K−1 when co-doped with TM. The electron-pocket case shows a low ZT due to the low power factor at EF. The calculated ZT of TiNiSn shows a high value of 0.2–0.24 at around EF. The highest power factor contributing low thermal conductivity yielded a high ZT of 0.24–0.34 for ScV, 0.33–0.42 for ScNb, and 0.33–0.39 for ZrHf, at around EF.
Phase diagrams of multicomponent lipid vesicles: Effects of finite size and spherical geometry
Authors: Luo Yongtian , Maibaum Lutz
Published: November 2018

We study the phase behavior of multicomponent lipid bilayer vesicles that can exhibit intriguing morphological patterns and lateral phase separation. We use a modified Landau-Ginzburg model capable of describing spatially uniform phases, microemulsions, and modulated phases on a spherical surface. We calculate its phase diagram for multiple vesicle sizes using analytical and numerical techniques as well as Monte Carlo simulations. Consistent with previous studies on planar systems, we find that thermal fluctuations move phase boundaries, stabilizing phases of higher disorder. We also show that the phase diagram is sensitive to the size of the system at small vesicle radii. Such finite size effects are likely relevant in experiments on small, unilamellar vesicles and should be considered in their comparison to theoretical and simulation results.
Thickness scaling of pyroelectric response in thin ferroelectric Hf1−xZrxO2 films
Authors: Smith Sean W. , Henry M. David , Brumbach Michael T. , Rodriguez Mark A. , Ihlefeld Jon F.
Published: November 2018

The scaling of polarization and pyroelectric response across a thickness series (5–20 nm) of Hf0.58Zr0.42O2 films with TaN electrodes was characterized. Reduction in thickness from 20 nm to 5 nm resulted in a decreased remanent polarization from 17 to 2.8 μC cm−2. Accompanying the decreased remanent polarization was an increased absolute pyroelectric coefficient, from 30 to 58 μC m−2 K−1. The pyroelectric response of the 5 nm film was unstable and decreased logarithmically with time, while that of 10 nm and thicker films was stable over a time scale of >300 h at room temperature. The sign of the pyroelectric response was irreversible with differing polarity of poling bias for the 5 nm thick film, indicating that the enhanced pyroelectric response was of electret origins, whereas the pyroelectric response in thicker films was consistent with a crystallographic origin.
The elastic modes coupling in phononic crystals and acoustically induced transparency
Authors: Ahmadi H. , Rostami A.
Published: November 2018

Based on the phononic crystal slab resonators, a new structure is proposed which has the operation similar to electromagnetically induced transparency (EIT) in the optical domain. This structure includes two resonance microcavities and interacts with each other. Due to the interaction between two microcavities, the transmission coefficient will be off while in noninteracting case it is on. Finite element method (FEM) is utilized to simulate the performance of the structure. The transmission spectrum of the structure is investigated in different states such as different coupling between two resonators. Also, it is shown that with control the coupling coefficient between two cavities, the acoustic transmission will be controlled especially in the resonance frequency of the cavities before coupling. Finally, the nonlinear properties of this phononic structure are investigated and the changes in the mass density due to this nonlinearity are discussed.
A three-step displacement measurement method for a 3-DOF macro-micro positioning stage
Authors: Zhang Xiang , Zhang Xianmin , Li Kai , Li Hai , Li Changsheng , Shan Yilin
Published: November 2018

A high-performance displacement measurement method for the displacement measurement of a three degree of freedom (3-DOF) macro-micro positioning stage based on the micro-vision measurement system is proposed. The method is built up by three steps. In the first step, a fast search algorithm combined with triangular relations and a ring projection with illumination and noise correction is adopted to achieve the selection of candidate pixels. Subsequently, an orientation code based algorithm is adopted to determine the integer-pixel displacement and rotation angle estimation. The third step is to obtain the sub-pixel displacement through a similarity function based algorithm. Simulations are carried out, and the results show that the proposed method has the characteristics of translation and rotation invariance, and the matching accuracy can reach 0.01-pixel theoretically. Moreover, the proposed method consumes less time than that of the orientation code and pseudo-Zernike moment based algorithm. Finally, a capacitance sensor measurement system is established to compare the accuracy of the proposed method. The experiment results demonstrate that it has a high accuracy.
Performance evaluation of the symmetrical quasi-classical dynamics method based on Meyer-Miller mapping Hamiltonian in the treatment of site-exciton models
Authors: Xie Yu , Zheng Jie , Lan Zhenggang
Published: November 2018

The symmetrical quasi-classical dynamics method based on the Meyer-Miller mapping Hamiltonian (MM-SQC) shows the great potential in the treatment of the nonadiabatic dynamics of complex systems. We performed the comprehensive benchmark calculations to evaluate the performance of the MM-SQC method in various site-exciton models with respect to the accurate results of quantum dynamics method multilayer multiconfigurational time-dependent Hartree (ML-MCTDH). The parameters of the site-exciton models are chosen to represent a few of prototypes used in the description of photoinduced excitonic dynamics processes in photoharvesting systems and organic solar cells, which include the rather broad situations with the fast or slow bath and different system-bath couplings. When the characteristic frequency of the bath is low, the MM-SQC method performs extremely well, and it gives almost the identical results to those of ML-MCTDH. When the fast bath is considered, the deviations exist between the MM-SQC and ML-MCTDH results if the high-frequency bath modes are improperly treated by the classical manner. When the so-called adiabatic renormalization was employed to construct the reduced Hamiltonian by freezing high-frequency modes, the MM-SQC dynamics can give the results comparable to the ML-MCTDH ones. Thus, the MM-SQC method itself provides reasonable results in all test site-exciton models, while the proper treatments of the bath modes must be employed. The possible dependence of the MM-SQC dynamics on the different initial sampling methods for the nuclear degrees of freedom is also discussed.
Dynamics of a modified excitable neuron model: Diffusive instabilities and traveling wave solutions
Authors: Mondal Argha , Upadhyay Ranjit Kumar , Mondal Arnab , Sharma Sanjeev Kumar
Published: November 2018

We examine the dynamics of a spatially extended excitable neuron model between phase state and stable/unstable equilibrium point depending on the parameter regimes. The solitary wave profiles in the excitable medium are characterized by an improved Hindmarsh-Rose (H-R) spiking-bursting neuron model with an injected decaying current function. Linear stability and the nature of deterministic system dynamics are analyzed. Further investigation for the existence of wave using the reaction-diffusion H-R system and the criteria for diffusion-driven instabilities are performed. An approximation method is introduced to analyze traveling wave profiles for the oscillatory neuron model that allows the explicit analytical treatment of both the speed equations and shape of the traveling wave solution. The solitary wave profiles exhibited by the system are explored. The analytical expression for the solution scheme is validated with good accuracy in a wide range of the biophysical parameters of the system. The traveling wave fronts and speed equations control the variations of the information transmission, and the speed of signal transmission may be affected by the injection of certain drugs.
Understanding dipole formation at dielectric/dielectric hetero-interface
Authors: Zhou Lixing , Wang Xiaolei , Han Kai , Ma Xueli , Wang Yanrong , Xiang Jinjuan , Yang Hong , Zhang Jing , Zhao Chao , Ye Tianchun , Radamson Henry H. , Wang Wenwu
Published: November 2018

Band alignment and dipole formation at the hetero-interface still remain fascinating and, hence, are being intensively investigated. In this study, we experimentally investigate the dipole formation by employing a dielectric/dielectric (Al2O3/GeO2) interface. We investigate the dipole dependence on various post-deposition annealing (PDA) ambiences from the viewpoints of electrical extraction and the X-ray photoelectron spectroscopy measurement. The core level shift at the Al2O3/GeO2 interface is consistent with the dipole changes in various PDA ambiences. We discover that the dipole formation can be well explained by the interface gap state and charge neutrality level theory. These results further confirm the feasibility of gap state theory in explaining the band alignment at hetero-junctions. This study can be a booster to enhance the comprehension of dipole origin at hetero-junction interfaces.
Reexploring the cation ordering and magnetic cation substitution effects on the elastic anisotropy of aluminum spinels
Authors: Núñez-Valdez M. , Bruschini E. , Speziale S. , Bosi F. , Fregola R. A. , D’Ippolito V. , Andreozzi G. B.
Published: November 2018

We study the effects of cation inversion x (Mg ↔ Al, with x representing the fraction of Mg and Al exchanged) and magnetic substitution (Mn → Mg) on the elastic properties of the MgAl2O4 spinel system using density functional theory and Brillouin scattering techniques. Our computations show that cation inversion decreases the molar volume of spinel and produces a stiffening of C11 and a softening of C12. Simulations and experiments agree within 2%. Density functional theory also captures the qualitative effect of Mg ↔ Al on C44, that is, an initial softening for inversion degree at x<0.125 and stiffening at x=1, with a disagreement of <4%. The Zener anisotropy factor A decreases with increasing degree of inversion. All these trends are preserved at high pressures. The substitution of Mn for Mg produces and increases the molar volume of spinel, and it is accompanied by the softening of both C11 and C44, and the stiffening of C12 in good agreement with experimental results at ambient conditions. All these effects, which are qualitatively opposite to those of cation inversion, are enhanced at high pressures. The effect of Mn → Mg on the elastic anisotropy of spinel is, however, qualitatively similar to that of cation inversion, i.e., it causes a decrease in the Zener factor A.