bluuebunny/crossref_metadata_2025 huggingface dataset:
Increased plasma levels of circulating cell-free mitochondrial DNA in suicide attempters: associations with HPA-axis hyperactivity
Authors: Lindqvist D , Fernström J , Grudet C , Ljunggren L , Träskman-Bendz L , Ohlsson L , Westrin Å
Published: December 2016

Preclinical data suggest that chronic stress may cause cellular damage and mitochondrial dysfunction, potentially leading to the release of mitochondrial DNA (mtDNA) into the bloodstream. Major depressive disorder has been associated with an increased amount of mtDNA in leukocytes from saliva samples and blood; however, no previous studies have measured plasma levels of free-circulating mtDNA in a clinical psychiatric sample. In this study, free circulating mtDNA was quantified in plasma samples from 37 suicide attempters, who had undergone a dexamethasone suppression test (DST), and 37 healthy controls. We hypothesized that free circulating mtDNA would be elevated in the suicide attempters and would be associated with hypothalamic–pituitary–adrenal (HPA)-axis hyperactivity. Suicide attempters had significantly higher plasma levels of free-circulating mtDNA compared with healthy controls at different time points (pre- and post-DST; allP-values<2.98E−12, Cohen’sdranging from 2.55 to 4.01). Pre-DST plasma levels of mtDNA were positively correlated with post-DST cortisol levels (rho=0.49,P<0.003). Suicide attempters may have elevated plasma levels of free-circulating mtDNA, which are related to impaired HPA-axis negative feedback. This peripheral index is consistent with an increased cellular or mitochondrial damage. The specific cells and tissues contributing to plasma levels of free-circulating mtDNA are not known, as is the specificity of this finding for suicide attempters. Future studies are needed in order to better understand the relevance of increased free-circulating mtDNA in relation to the pathophysiology underlying suicidal behavior and depression.
Arsenic is Everywhere: Cause for Concern?
Authors: Cullen William R , Reimer Kenneth J
Published: December 2016

Arsenic is a naturally occurring element and, as such, it is present in the environment and in our food and drink. It can even be involved in supporting life processes. However, due to its toxicity, there is concern about its presence in our diet. This book examines the real risks and impacts of arsenic in our lives. Looking at arsenic and its compounds, this book explores the presence of arsenic in food and water, the need to clarify its toxicity, and current scientific and public misconceptions about arsenic. It also looks at the use of arsenic in medicine, from cancer treatments to alternative therapies such as homeopathy. Following on from "Is Arsenic an Aphrodisiac?: The Sociochemistry of an Element", this book continues the authors work in addressing the issues surrounding arsenic. It is a fascinating read for general readers as it unveils the reality of our exposure to arsenic in our daily lives.
Fabrication of fluorescence enhancement of quantum dots on a gold colloid formed film for oligonucleotide DNA detection
Authors: Yang Jie , Song Ji-Tao , Hu Wei , Huang Yan , Deng Li-Juan , Hou Han-Na , Liu Bo
Published: December 2016

This paper reported a method based on metal-enhanced quantum dot fluorescence on a gold colloid formed film for target DNA detection.
Paper-based microfluidics for experimental design: screening masking agents for simultaneous determination of Mn(ii) and Co(ii)
Authors: Meredith Nathan A. , Volckens John , Henry Charles S.
Published: December 2016

A microfluidic paper-based analytical device has been designed to rapidly screen masking agents for selective colorimetric detection of transition metals.
Ti4+-immobilized chitosan-coated magnetic graphene oxide for the highly selective enrichment of phosphopeptides
Authors: Zhao Yiman , Zhang Lingyi , Chu Zhanying , Xiong Zhichao , Zhang Weibing
Published: December 2016

For in-depth analysis of phosphorylated proteomics, the highly sensitive and selective capture of phosphopeptides from intricate biological samples is extremely significant.
Poly(glycoamidoamine) brush nanomaterials for systemic siRNA delivery in vivo
Authors: Luo X. , Wang W. , Dorkin J. R. , Veiseh O. , Chang P. H. , Abutbul-Ionita I. , Danino D. , Langer R. , Anderson D. G. , Dong Y.
Published: December 2016

Delivery is the key challenge for siRNA based therapeutics.
Multifunctional PEI-entrapped gold nanoparticles enable efficient delivery of therapeutic siRNA into glioblastoma cells
Authors: Kong Lingdan , Qiu Jieru , Sun Wenjie , Yang Jia , Shen Mingwu , Wang Lu , Shi Xiangyang
Published: December 2016

Multifunctional PEI-entrapped gold nanoparticles modified with RGD peptide via a PEG spacer enable efficient therapeutic siRNA delivery to glioblastoma cells.
Ultrasmall silver nanoclusters: Highly efficient antibacterial activity and their mechanisms
Authors: Jin Jian-Cheng , Wu Xiao-Juan , Xu Juan , Wang Bei-Bei , Jiang Feng-Lei , Liu Yi
Published: December 2016

We study the antibacterial activities of bifunctional fluorescent DHLA-AgNCs against three types of bacteria, and the antibacterial mechanisms against differentE. colistrains are different.
A new concept of charging supercapacitors based on the photovoltaic effect
Authors: Kalasina Saran , Pattanasattayavong Pichaya , Suksomboon Montakan , Phattharasupakun Nutthaphon , Wutthiprom Juthaporn , Sawangphruk Montree
Published: December 2016

An enhancement in the areal capacitance of a Co(OH)2 supercapacitor charged and discharged under light illumination is clearly observed, with the capacitance about two-fold higher than that operated under dark conditions.
Photoinduced energy- and electron-transfer from a photoactive coordination cage to bound guests
Authors: Piper Jerico R. , Cletheroe Lewis , Taylor Christopher G. P. , Metherell Alexander J. , Weinstein Julia A. , Sazanovich Igor V. , Ward Michael D.
Published: December 2016

The array of naphthyl chromophores in a self-assembled cage can effect photoinduced energy- or electron-transfer to guests in the central cavity.
On the ionophoric selectivity of nonactin and related macrotetrolide derivatives
Authors: Martínez-Haya Bruno , Avilés-Moreno Juan Ramón , Hamad Said , Elguero José
Published: December 2016

Microhydration determines the cation affinities of nactin macrocyles in aqueous–organic extraction processes.
First kinetic study of the atmospherically important reactions BrHg˙ + NO2and BrHg˙ + HOO
Authors: Jiao Yuge , Dibble Theodore S.
Published: December 2016

Potential energy surface for BrHg + NO2→syn-BrHgONO as a function of the Hg–N distance and the amplitude of the NO2wagging mode.
Second-order NLO responses of two-cavity inorganic electrides Lin@B20H26 (n = 1, 2): evolutions with increasing excess electron number and various B–B connection sites of B20H26
Authors: Ma Nana , Gong Jinjin , Li Shujun , Zhang Jie , Qiu Yongqing , Zhang Guisheng
Published: December 2016

Inorganic electrides Lin@B20H26 could be NLO materials because of their better performance on the magnitude of β0 and modulation of the NLO response.
Reactions driving conformational movements (molecular motors) in gels: conformational and structural chemical kinetics
Authors: Otero Toribio F.
Published: December 2016

Ea,k,αandβfrom reactions driving molecular polymeric motors constituting dense gels include quantitative conformational and structural information.
Acetylene adsorption on δ-MoC(001), TiC(001) and ZrC(001) surfaces: a comprehensive periodic DFT study
Authors: Jimenez-Orozco Carlos , Florez Elizabeth , Moreno Andres , Liu Ping , Rodriguez Jose A.
Published: December 2016

Molybdenum, titanium, and zirconium carbide surfaces are explored theoretically as potential catalysts for selective hydrogenation from acetylene to ethylene.
Charge ordering and scattering pre-peaks in ionic liquids and alcohols
Authors: Perera Aurélien
Published: December 2016

The structural properties of ionic liquids and alcohols are viewed under the charge ordering process as a common basis to explain the peculiarity of their radiation scattering properties, namely the presence, or absence, of a scattering pre-peak.
A novel octa-nuclear 32-membered zirconocene macrocycle based on the aromatic selenite
Authors: Yao Nian-Tao , Zhang Ru-Fen , Zhang Shao-Liang , Li Qian-Li , Ma Chun-Lin
Published: December 2016

A novel macrocyclic zirconocene(iv) aromatic selenite [(CpZr)8L16]·2(Cp4Zr2(μ-O)Cl2) (complex1) (Cp = cyclopentadienyl anion; L = 4-fluorobenzeneseleninic acid) was prepared by the reaction of bis(cyclopentadienyl)zirconium dichloride with 4-fluorobenzeneseleninic acid and characterized by elemental analysis, infrared spectroscopy,1H,13C NMR spectroscopy, ESI-MS, XRD and X-ray diffraction.
A layered Na1−xNiyFe1−yO2double oxide oxygen evolution reaction electrocatalyst for highly efficient water-splitting
Authors: Weng Baicheng , Xu Fenghua , Wang Changlei , Meng Weiwei , Grice Corey R. , Yan Yanfa
Published: December 2016

Novel layered Na1−xNiyFe1−yO2OER catalysts outperform IrO2, RuO2, and NiFe-LDH, reaching an 11.22% solar/H2efficiency for a perovskite solar cell.
An integral study of cyclodextrins as solubility enhancers of α-methylstilbene, a resveratrol analogue
Authors: Matencio Adrián , Hernández-García Samanta , García-Carmona Francisco , López-Nicolás José Manuel
Published: December 2016

trans-α-Methylstilbene (tMS), a resveratrol analogue, has been complexated by cyclodextrins to increase its solubility.
An efficient approach to chloro(organophosphine) gold(i) complexes for the synthesis of auranofin
Authors: Wang Junchang , Mi Xuemeng , Wang Jiazhe , Yang You
Published: December 2016

An efficient approach using 4,4′-dihydroxydiphenyl sulfide as a reductant is disclosed for the effective preparation of chloro(organophosphine) gold(i) complexes enabling the synthesis of auranofin.
Silica supported copper nanoparticles prepared via surface organometallic chemistry: active catalysts for the selective hydrogenation of 2,3-dimethylbutadiene
Authors: Boukebbous K. , Merle N. , Larabi C. , Garron A. , Darwich W. , Laifa E. A. , Szeto K. , De Mallmann A. , Taoufik M.
Published: December 2016

Mesitylcopper reacts with silica to give supported clusters, then reduced to nanoparticles. These catalysts allow the selective hydrogenation of 2,3-dimethylbutadiene to 2,3-dimethyl-1-butene. Materials were characterized in detail.
Twisting the ethano-Tröger's base: the bisamide
Authors: Pereira Raul , Pfeifer Lukas , Fournier Jean , Gouverneur Véronique , Cvengroš Ján
Published: December 2016

A simple benzylic oxidation of ethano-Tröger's base derivatives affords novel twisted amides for structure and reactivity studies.
A linear hydroxymethyl tetramate undergoes an acetylation–elimination process for exocyclic methylene formation in the biosynthetic pathway of pyrroindomycins
Authors: Zheng Qingfei , Wu Zhuhua , Sun Peng , Chen Dandan , Tian Zhenhua , Liu Wen
Published: December 2016

The exocyclic methylene formation involved in pyrroindomycin biosynthesis is mediated by an enzymatic acetylation–elimination process.
Rh(iii)-Catalyzed direct C-7 amination of indolines with anthranils
Authors: Li Haoyi , Jie Jiyang , Wu Songxiao , Yang Xiaobo , Xu Hao
Published: December 2016

An effective and fascinating method has been developed for direct C-7 amination of indolines under Rh(iii) catalysis with anthranils.
Fabrication and analysis of the mechanical properties of sandwich-type NPC composites by electroless plating NPC
Authors: Wang Ying , Liang Shuhua , Yang Qing
Published: December 2016

Design and preparation of a novel sandwich NPC material with good mechanical properties by electroless copper.
VOCC: a database of volatile organic compounds in cancer
Authors: Agarwal Subhash Mohan , Sharma Mansi , Fatima Shehnaz
Published: December 2016

Volatile organic compounds in cancer database (VOCC) has been developed, which provides comprehensive information of VOCs distinctly observed in cancer vs. normal from various malignancies and different sources.
Correction: Influence of silk–silica fusion protein design on silica condensation in vitro and cellular calcification
Authors: Plowright Robyn , Dinjaski Nina , Zhou Shun , Belton David J. , Kaplan David L. , Perry Carole C.
Published: December 2016

Correction for ‘Influence of silk–silica fusion protein design on silica condensation in vitro and cellular calcification’ by Robyn Plowright et al., RSC Adv., 2016, 6, 21776–21788.
Pd-decorated m-BiVO4/BiOBr ternary composite with dual heterojunction for enhanced photocatalytic activity
Authors: Pálmai Marcell , Zahran Elsayed M. , Angaramo Santiago , Bálint Szabolcs , Pászti Zoltán , Knecht Marc R. , Bachas Leonidas G.
Published: December 2016

We introduce a unique material ensemble to boost the photocatalytic activity of m-BiVO4 by creating dual heterojunction of bismuth oxybromide nanosheets and Pd nanodomains.
1,4-Dihydropyridines: discovery of minimal AIEEgens and their mitochondrial imaging applications
Authors: Zhang Wei , Wang Na , Liu Yan-Hong , Jiao Shu-Yan , Zhang Wei-Wei , Pu Xue-Mei , Yu Xiao-Qi
Published: December 2016

Minimal AIEEgens containing only a single ring were synthesized through a facile biocatalysis procedure and were successfully utilized in the imaging of mitochondria.
Bioactive peptide functionalized aligned cyclodextrin nanofibers for neurite outgrowth
Authors: Hamsici Seren , Cinar Goksu , Celebioglu Asli , Uyar Tamer , Tekinay Ayse B. , Guler Mustafa O.
Published: December 2016

Noncovalent functionalization of electrospun cyclodextrin nanofibers (CDNFs) with a bioactive peptide epitope through host–guest interactions to develop functional scaffolds for nerve cell engineering is presented; and the synergistic combination of biochemical and biophysical cues results in enhanced neural outgrowth and neural differentiation on the scaffolds.
A highly stretchable bioelastomer prepared by UV curing of liquid-like poly(4-methyl-ε-caprolactone) precursors
Authors: Xiao Yan , Lang Sihuan , Zhou Miaomiao , Qin Jing , Yin Rui , Gao Jingming , Heise Andreas , Lang Meidong
Published: December 2016

UV curing of PMCL precursors in the absence of any solvent or heating led to highly stretchable bioelastomers.
Charge transport in highly ordered organic nanofibrils: lessons from modelling
Authors: Gryn’ova Ganna , Nicolaï Adrien , Prlj Antonio , Ollitrault Pauline , Andrienko Denis , Corminboeuf Clemence
Published: December 2016

H-Aggregates featuring tight π-stacks of the conjugated heterocyclic cores represent ideal morphologies for 1D organic semiconductors.
Elucidation of the unsymmetrical effect on the piezoelectric and semiconducting properties of Cd-doped 1D-ZnO nanorods
Authors: Purusothaman Yuvasree , Alluri Nagamalleswara Rao , Chandrasekhar Arunkumar , Kim Sang-Jae
Published: December 2016

The unsymmetrical effect of piezoelectric and semiconducting properties of Cd-doped 1D-ZnO NRs is presented.
Electron injection and scaffold effects in perovskite solar cells
Authors: Anaya Miguel , Zhang Wei , Hames Bruno Clasen , Li Yuelong , Fabregat-Santiago Francisco , Calvo Mauricio E. , Snaith Henry J. , Míguez Hernán , Mora-Seró Iván
Published: December 2016

In this work, we use periodic multilayered structures as scaffolds in order to magnify the effect of both the scaffold and the electron selective layer in perovskite solar cells, and understand their influence on cell performance.
Polydopamine functionalized transparent conductive cellulose nanopaper with long-term durability
Authors: Su Yongxiang , Zhao Yafei , Zhang Huaiyu , Feng Xin , Shi Liyi , Fang Jianhui
Published: December 2016

Bio-inspired transparent conductive cellulose nanopaper with long-term durability was assembled by polydopamine functionalized nanocellulose and AgNW binding.
Observer‐based adaptive control of uncertain stochastic singular systems via integral sliding mode technique
Authors: Liu Zhen , Zhao Lin , Gao Cunchen
Published: December 2016

This study is concerned with the problem of adaptive sliding mode control (SMC) for uncertain stochastic singular systems. A novel integral‐type sliding surface function is first introduced based on a particular observer design, which incorporates both the state estimations and the outputs to achieve prescribed specifications. The analysis of mean‐square asymptotic admissibility of the underlying sliding mode dynamics with disturbance attenuation level for the closed‐loop systems is performed to exploit a new condition via linear matrix inequality technique. Then, the reachability of the predesigned sliding surface is ensured within finite‐time almost surely by utilising a novel adaptive SMC law. Two examples are provided to demonstrate the validity and potential of the proposed method.
The gendered construction of reparations: an exploration of women’s exclusion from the Niger Delta reintegration processes
Authors: Michael Folami Olakunle
Published: December 2016

The Niger Delta is located in the South-south region of Nigeria. Oil exploration and exploitation by the multinational oil companies led to environmental degradation. The agitations among the inhabitants for environmental protection led to a protracted conflict between the Nigerian security forces and the militant groups in the region. Amnesty, disarmament, demobilization and reintegration (DDR) were adopted in the region to resolve the conflict by the government. The Niger Delta post-conflict DDR processes were gendered: exclusion of women from the peace processes was a major concern for peacebuilding actors and academics in the region. Men were significantly favoured in the DDR peacebuilding processes because they belonged to militant groups. The roles played by women in the conflict were not however recognised; these included roles in demonstrations, strikes, campaigns, lobbies, and as carers, nurses and cooks. Women have therefore sought redress in the peacebuilding processes. This study aims to identify roles played by men and women in the Niger Delta conflict. It examines methods of conflict resolution adopted in the region and also investigates the reason why women were largely excluded from the DDR processes. Recognition Theory is used in this study to examine the institutionalised norms that make gender inclusion in the Niger Delta peacebuilding processes problematic. Recognition theory considers equal treatment to be an important part of a just society, while distributive justice theorists believe that economic goods and wealth must be shared equally. This study was carried out in the Gbaramatu Kingdom, Niger Delta region, Nigeria, in three selected communities: Okerenkoko; Egwa; and Oporoza. A qualitative method involving in-depth interviews was used to collect data from 24 participants. I report that many men and women participated in the conflict but a small number of women (0.6%) were included in the DDR peacebuilding processes. I find that men and women demand that reparations should be considered in addition to the reintegration process that has been adopted in the Niger Delta. Furthermore, I find that apart from patriarchal culture, DDR operational norms only focus on security and not on human rights. I conclude that men’s and women’s rights could be recognized through the combination of DDR and reparations rights in the Niger Delta peacebuilding processes. This article is published as part of a collection on gender studies.
Exploring the effectiveness, efficiency and equity (3e’s) of research and research impact assessment
Authors: Hinrichs-Krapels Saba , Grant Jonathan
Published: December 2016

The allocation of research funding can benefit greatly from robust analysis of what has worked in research. In turn, these analyses can help advocacy initiatives and demonstrate accountability to taxpayers and donors. Capturing and mapping data on the inputs, processes, outputs, outcome and impact of research is crucial for these analyses. In this article we argue that the research community as a whole—including funders, researchers and administrators—is potentially in a position where it can assess or evaluate research not just according to academic outputs (production of knowledge), but also its outcomes and/or impact (effects on society). Using an exploratory framework that assesses effectiveness, efficiency and equity (3e’s) of research and research assessment both in terms of academic outputs and non-academic impact, we also argue that most assessments are primarily examining the effectiveness of research, as tools are not yet available to systematically assess research for its efficiency and equity. This article is published as part of a special issue on the future of research assessment.
New Formulation for the Viscosity of Propane
Authors: Vogel Eckhard , Herrmann Sebastian
Published: December 2016

A new viscosity formulation for propane, using the reference equation of state for its thermodynamic properties by Lemmon et al. [J. Chem. Eng. Data 54, 3141 (2009)] and valid in the fluid region from the triple-point temperature to 650 K and pressures up to 100 MPa, is presented. At the beginning, a zero-density contribution and one for the critical enhancement, each based on the experimental data, were independently generated in parts. The higher-density contributions are correlated as a function of the reciprocal reduced temperature τ = Tc/T and of the reduced density δ = ρ/ρc (Tc—critical temperature, ρc—critical density). The final formulation includes 17 coefficients inferred by applying a state-of-the-art linear optimization algorithm. The evaluation and choice of the primary data sets are detailed due to its importance. The viscosity at low pressures p ≤ 0.2 MPa is represented with an expanded uncertainty of 0.5% (coverage factor k = 2) for temperatures 273 ≤ T/K ≤ 625. The expanded uncertainty in the vapor phase at subcritical temperatures T ≥ 273 K as well as in the supercritical thermodynamic region T ≤ 423 K at pressures p ≤ 30 MPa is assumed to be 1.5%. In the near-critical region (1.001 < 1/τ < 1.010 and 0.8 < δ < 1.2), the expanded uncertainty increases with decreasing temperature up to 3.0%. It is further increased to 4.0% in regions of less reliable primary data sets and to 6.0% in ranges in which no primary data are available but the equation of state is valid. Tables of viscosity computed for the new formulation are given in an Appendix for the single-phase region, for the vapor–liquid phase boundary, and for the near-critical region.
Counting forbidden patterns in irregularly sampled time series. I. The effects of under-sampling, random depletion, and timing jitter
Authors: McCullough Michael , Sakellariou Konstantinos , Stemler Thomas , Small Michael
Published: December 2016

It has been established that the count of ordinal patterns, which do not occur in a time series, called forbidden patterns, is an effective measure for the detection of determinism in noisy data. A very recent study has shown that this measure is also partially robust against the effects of irregular sampling. In this paper, we extend said research with an emphasis on exploring the parameter space for the method's sole parameter—the length of the ordinal patterns—and find that the measure is more robust to under-sampling and irregular sampling than previously reported. Using numerically generated data from the Lorenz system and the hyper-chaotic Rössler system, we investigate the reliability of the relative proportion of ordinal patterns in periodic and chaotic time series for various degrees of under-sampling, random depletion of data, and timing jitter. Discussion and interpretation of results focus on determining the limitations of the measure with respect to optimal parameter selection, the quantity of data available, the sampling period, and the Lyapunov and de-correlation times of the system.
Development of plasma assisted thermal vapor deposition technique for high-quality thin film
Authors: Lee Kang-Il , Choi Yong Sup , Park Hyun Jae
Published: December 2016

The novel technique of Plasma-Assisted Vapor Deposition (PAVD) is developed as a new deposition method for thin metal films. The PAVD technique yields a high-quality thin film without any heating of the substrate because evaporated particles acquire energy from plasma that is confined to the inside of the evaporation source. Experiments of silver thin film deposition have been carried out in conditions of pressure lower than 10−3 Pa. Pure silver plasma generation is verified by the measurement of the Ag-I peak using optical emission spectroscopy. A four point probe and a UV-VIS spectrophotometer are used to measure the electrical and optical properties of the silver film that is deposited by PAVD. For an ultra-thin silver film with a thickness of 6.5 nm, we obtain the result of high-performance silver film properties, including a sheet resistance <20 Ω sq−1 and a visible-range transmittance >75%. The PAVD-film properties show a low sheet resistance of 30% and the same transmittance with conventional thermal evaporation film. In the PAVD source, highly energetic particles and UV from plasma do not reach the substrate because the plasma is completely shielded by the optimized nozzle of the crucible. This new PAVD technique could be a realistic solution to improve the qualities of transparent electrodes for organic light emission device fabrication without causing damage to the organic layers.
Low temperature system for a large volume multi-anvil press
Authors: Secco Richard A. , Yong Wenjun
Published: December 2016

A new custom-designed system for a 3000 ton multi-anvil press has been developed to reach temperatures below room temperature at high pressures. The system was designed to remove heat selectively and conductively from the sample volume through six of the eight tungsten carbide (WC) cubes in direct contact with the octahedral pressure cell. The key components of the system include Cu cooling fins sandwiched between neighboring cube faces and the connected Cu heat exchange chamber through which liquid nitrogen flows. Currently, this system enables us to reach temperatures down to 220 K at pressures up to 8 GPa, but it can be easily modified to retain similar cooling capability at the highest pressure the press can reach (ca. 25 GPa).
A new method for simultaneous measurement of Seebeck coefficient and resistivity
Authors: He Xu , Yang Junyou , Jiang Qinghui , Luo Yubo , Zhang Dan , Zhou Zhiwei , Ren Yangyang , Li Xin , Xin Jiwu , Hou Jingdi
Published: December 2016

A new method has been proposed and verified to measure the Seebeck coefficient and electrical resistivity of a sample in the paper. Different from the conventional method for Seebeck coefficient and resistivity measurement, the new method adopts a four-point configuration to measure both the Seebeck coefficient and resistivity. It can well identify the inhomogeneity of the sample by simply comparing the four Seebeck coefficients of different probe combinations, and it is more accurate and appropriate to take the average value of the four Seebeck coefficients as the measured result of the Seebeck coefficient of the sample than that measured by the two-point method. Furthermore, the four-point configuration makes it also very convenient to measure the resistivity by using the Van der Pauw method. The validity of this method has been verified with both the constantan alloy and p-type Bi2Te3 semiconductor samples, and the measurement results are in good agreement with those obtained by commercial available equipment.
Correlational and thermodynamic properties of finite-temperature electron liquids in the hypernetted-chain approximation
Authors: Tanaka Shigenori
Published: December 2016

Correlational and thermodynamic properties of homogeneous electron liquids at finite temperatures are theoretically analyzed in terms of dielectric response formalism with the hypernetted-chain (HNC) approximation and its modified version. The static structure factor and the local-field correction to describe the strong Coulomb-coupling effects beyond the random-phase approximation are self-consistently calculated through solution to integral equations in the paramagnetic (spin unpolarized) and ferromagnetic (spin polarized) states. In the ground state with the normalized temperature θ=0, the present HNC scheme well reproduces the exchange-correlation energies obtained by quantum Monte Carlo (QMC) simulations over the whole fluid phase (the coupling constant rs≤100), i.e., within 1% and 2% deviations from putative best QMC values in the paramagnetic and ferromagnetic states, respectively. As compared with earlier studies based on the Singwi-Tosi-Land-Sjölander and modified convolution approximations, some improvements on the correlation energies and the correlation functions including the compressibility sum rule are found in the intermediate to strong coupling regimes. When applied to the electron fluids at intermediate Fermi degeneracies (θ≈1), the static structure factors calculated in the HNC scheme show good agreements with the results obtained by the path integral Monte Carlo (PIMC) simulation, while a small negative region in the radial distribution function is observed near the origin, which may be associated with a slight overestimation for the exchange-correlation hole in the HNC approximation. The interaction energies are calculated for various combinations of density and temperature parameters ranging from strong to weak degeneracy and from weak to strong coupling, and the HNC values are then parametrized as functions of rs and θ. The HNC exchange-correlation free energies obtained through the coupling-constant integration show reasonable agreements with earlier results including the PIMC-based fitting over the whole fluid region at finite degeneracies in the paramagnetic state. In contrast, a systematic difference between the HNC and PIMC results is observed in the ferromagnetic state, which suggests a necessity of further studies on the exchange-correlation free energies from both aspects of analytical theory and simulation.
Matrix isolation and ab initio study on HCN/CO2 system and its radiation-induced transformations: Spectroscopic evidence for HCN⋯CO2 and trans-HCNH⋯CO2 complexes
Authors: Kameneva Svetlana V. , Tyurin Daniil A. , Nuzhdin Kirill B. , Feldman Vladimir I.
Published: December 2016

Spectroscopic characteristics and X-ray induced transformations of the HCN⋯CO2 complex in solid Ar and Kr matrices were studied by FTIR spectroscopy and ab initio calculations at the CCSD(T) level. The complex was prepared by deposition of the HCN/CO2/Ng gas mixtures (Ng = Ar or Kr). The comparison of the experiment and calculations prove formation of a linear, H-bonded NCH⋯OCO complex with a substantial red shift of the C–H stretching band and a blue shift of the H–C–N bending band in respect to the monomer. This result is in contrast with the previous gas-phase observations, where only T-shape complex was found. Irradiation of deposited matrices leads to formation of CN radicals and HNC molecules and subsequent annealing results in appearance of H2CN and trans-HCNH in both matrices plus HKrCN in the case of Kr. In the presence of CO2, the strongest absorption of trans-HCNH radical demonstrates an additional blue-shifted (by 6.4 cm−1) feature, which was assigned to the N-coordinated complex of this radical with CO2 on the basis of comparison with calculations. To our knowledge, it is the first experimentally observed complex of this radical. No evidence was found for HKrCN⋯CO2 complex, which was explained tentatively by steric hindrance.
Spatially resolved behavior of laser-produced copper plasma along expansion direction in the presence of static uniform magnetic field
Authors: Singh Khwairakpam Shantakumar , Sharma Ashwini Kumar
Published: December 2016

We report on the spatially resolved optical emission spectroscopic study of laser-produced copper plasma in the presence of static uniform magnetic field in air ambient at atmospheric pressure. The response of copper atomic/ionic lines to magnetic field along the axial direction of plasma is different. It is attributed to the difference in populating process (electron impact excitation and recombination) of each transition. In the present work, we introduced air pressure to calculate the stopping radius and found it to be around the distance at which the intensity is pronounced. The electron density varied as ne = 9.2z−0.33 without magnetic field and in the presence of 0.3 T magnetic field, it varied as ne = 7.9z−0.27. The electron temperature variation with distance from the target in the absence and presence of magnetic field is found to be Te = 1.1z−0.23 and Te = 0.9z−0.18. The electron density and temperature decay slowly along the plasma expansion direction in the presence of magnetic field. It is due to magnetic confinement of plasma. We demonstrated that the thermal conductivity of plasma is enhanced in the presence of magnetic field. From the spatial evolution of the electron density and temperature, we estimated the approximate dimension of the core and tail region of the plasma and found an increase in the core dimension in the presence of magnetic field. The increase in core dimension is in agreement with the intensity variation of ionic line. It is attributed to an increase in heat transfer due to an increase in thermal conductivity in the presence of magnetic field. The present work may help optimize the distance from target to enhance spectral line intensity in optical emission spectroscopy in the presence of magnetic field.
Global model including multistep ionizations in helium plasmas
Authors: Oh Seung-Ju , Lee Hyo-Chang , Chung Chin-Wook
Published: December 2016

Particle and power balance equations including stepwise ionizations are derived and solved in helium plasmas. In the balance equations, two metastable states (21S1 in singlet and 23S1 triplet) are considered and the followings are obtained. The plasma density linearly increases and the electron temperature is relatively in a constant value against the absorbed power. It is also found that the contribution to multi-step ionization with respect to the single-step ionization is in the range of 8%–23%, as the gas pressure increases from 10 mTorr to 100 mTorr. Compared to the results in the argon plasma, there is little variation in the collisional energy loss per electron-ion pair created (εc) with absorbed power and gas pressure due to the small collision cross section and higher inelastic collision threshold energy.
Phenomenology of break-up modes in contact free externally heated nanoparticle laden fuel droplets
Authors: Pathak Binita , Basu Saptarshi
Published: December 2016

We study thermally induced atomization modes in contact free (acoustically levitated) nanoparticle laden fuel droplets. The initial droplet size, external heat supplied, and suspended particle concentration (wt. %) in droplets govern the stability criterion which ultimately determines the dominant mode of atomization. Pure fuel droplets exhibit two dominant modes of breakup namely primary and secondary. Primary modes are rather sporadic and normally do not involve shape oscillations. Secondary atomization however leads to severe shape deformations and catastrophic intense breakup of the droplets. The dominance of these modes has been quantified based on the external heat flux, dynamic variation of surface tension, acoustic pressure, and droplet size. Addition of particles alters the regimes of the primary and secondary atomization and introduces bubble induced boiling and bursting. We analyze this new mode of atomization and estimate the time scale of bubble growth up to the point of bursting using energy balance to determine the criterion suitable for parent droplet rupture. All the three different modes of breakup have been well identified in a regime map determined in terms of Weber number and the heat utilization rate which is defined as the energy utilized for transient heating, vaporization, and boiling in droplets.
Multistage ion acceleration in the interaction of intense short laser pulse with ultrathin target
Authors: Mirzanejhad Saeed , Joulaei Atefeh , Babaei Javad
Published: December 2016

New analytical formalism is invented in the description of ion acceleration in the interaction of intense high-contrast short laser pulse with ultrathin target. The electrostatic shock wave acceleration is our fundamental point of view, but different criteria are obtained for description of various acceleration phenomenon. Acceleration condition for an ion with a definite charge to mass ratio (z/m) and initial velocity β0 is obtained in the electrostatic shock (ES) field in front side of the foil. According to this point of view, self organized multistage ion acceleration formalism is proposed and confirmed by the 1D3V particle in cell simulation results. In this formalism, ions may be re-accelerated repeatedly in the developing ES field.
Main drive optimization of a high-foot pulse shape in inertial confinement fusion implosions
Authors: Wang L. F. , Ye W. H. , Wu J. F. , Liu Jie , Zhang W. Y. , He X. T.
Published: December 2016

While progress towards hot-spot ignition has been made achieving an alpha-heating dominated state in high-foot implosion experiments [Hurricane et al., Nat. Phys. 12, 800 (2016)] on the National Ignition Facility, improvements are needed to increase the fuel compression for the enhancement of the neutron yield. A strategy is proposed to improve the fuel compression through the recompression of a shock/compression wave generated by the end of the main drive portion of a high-foot pulse shape. Two methods for the peak pulse recompression, namely, the decompression-and-recompression (DR) and simple recompression schemes, are investigated and compared. Radiation hydrodynamic simulations confirm that the peak pulse recompression can clearly improve fuel compression without significantly compromising the implosion stability. In particular, when the convergent DR shock is tuned to encounter the divergent shock from the capsule center at a suitable position, not only the neutron yield but also the stability of stagnating hot-spot can be noticeably improved, compared to the conventional high-foot implosions [Hurricane et al., Phys. Plasmas 21, 056314 (2014)].
Carrier transport mechanism of highly-sensitive niobium doped titanium dioxide/p-Si heterojunction photodiode under illuminations by solar simulated light
Authors: Gautam Subodh K. , Das Arkaprava , Singh R. G. , Kumar V. V. S. , Singh Fouran
Published: December 2016

Nano-crystalline Nb doped anatase TiO2 (NTO) thin film was deposited on p-type Si substrate for fabrication of n-NTO/p-Si heterojunction photodiode using RF magnetron sputtering technique. Rutherford backscattering spectrometry and Raman spectroscopy results suggest the substitutional incorporation of Nb5+ ions in anatase TiO2 lattice, which is evidenced from large stiffening of Eg(1) and softening of B1g Raman modes. The current density-voltage (J-V) characteristics are measured and important diode parameters of n-NTO/p-Si heterojunction diode are determined, such as ideality factor, barrier height, and series resistance. Diode exhibits excellent behavior under dark condition as rectification ratio is found to be ∼7 × 102 with high forward current density ∼1.54 A/cm2 at 5 V. The n-NTO/p-Si heterojunction works as an efficient photodiode in reverse bias under simulated solar light illumination with high contrast ratio ∼225 at −2 V and very high photo responsivity ∼2.7 A/W at −5 V. The high photo responsivity of photodiode is mainly due to the generation of high density electron-hole plasma in NTO depletion region by the absorption of incident UV range photons. Thus n-NTO/p-Si heterojunction diode is suitable device for highly sensitive Ultra-Violet photodiode applications.
SET and RESET states of As2Se3 doped GeTe4 bulk glasses probed by Raman spectroscopy
Authors: Pumlianmunga  , Ramesh K.
Published: December 2016

Te based chalcogenide glasses are being explored for non-volatile memory applications. We report the electrical switching studies on bulk Ge0.20Te0.80 glass alloyed with As0.40Se0.60 in different proportions. The addition of As0.40Se0.60 increases the electrical resistivity and the threshold voltage of (As0.4Se0.6)x(Ge0.2Te0.8)1−x glasses in the composition range 0 ≤ x ≤ 0.40. Glasses in the range 0 ≤ x ≤ 0.10 are found to exhibit memory switching, whereas glasses with x ≥ 0.15 exhibit threshold switching. The memory (SET) state can be brought back to RESET state by passing a current of 3–5 mA. Particularly, the glass with x = 0.10 is identified to be very stable, and it can be cycled between the SET and RESET state consistently with 3 mA current. The Raman spectra of SET and RESET states indicate that the SET sample has GeTe and Te crystalline units while the structure of RESET state is analogous to the as-quenched glass. Interestingly, the variation in the local structure is minimal for SET and RESET states for x = 0.10. And also the resistance of the SET state is relatively high. So they can be set to RESET state with less current and can be explored for low power phase change memory applications.
Effect of Nb and more Fe ions co-doping on the microstructures, magnetic, and piezoelectric properties of Aurivillius Bi5Ti3FeO15 phases
Authors: Chen Chao , Song Kun , Bai Wei , Yang Jing , Zhang Yuanyuan , Xiang Pinghua , Qin Muyang , Tang Xiaodong , Chu Junhao
Published: December 2016

Aurivillius Bi5Ti3−2xFe1+xNbxO15 (BTFNO, x = 0.1, 0.2, 0.3, and 0.4) phases were prepared by solid state reaction method. The structures and dielectric responses were studied, and especially the effects of Nb with a higher valence and more Fe co-doping on the magnetic and piezoelectric properties were addressed in detail. The BTFNO samples were well crystallized with no detectable impurities, and plate-like microstructures with various sizes demonstrate the typical characteristics of bismuth-layer Aurivillius materials. It is found that a dielectric loss peak appears in the Nb and Fe co-doped Bi5Ti3FeO15 (BTFO) ceramics, and it has a shift towards a lower frequency with increasing the Nb doping contents. Furthermore, antiferromagnetic long-range magnetic order is improved with the introduction of Nb and more Fe co-doping. And compared with that of the parent BTFO forms, a clear discrepancy, which is indicative of a super-paramagnetic behavior, of the magnetization vs. temperature curves in zero-field cooling and field cooling cases is observed by the introduction of the Nb and more Fe ions. More interestingly, the introduction of Nb and more Fe ions can suppress the preferred c-axis growth while promoting the a-/b-axis growth of the plate-like grains, and thus favors the piezoelectric behaviors of the BTFO Aurivillius phases along the growth orientation.
Blobs in the framework of drift wave dynamics
Authors: Zhang Yanzeng , Krasheninnikov S. I.
Published: December 2016

Analytic solutions for blob-like structures obtained in S. I. Krasheninnikov [Phys. Lett. A 380, 3905 (2016)], are examined in detail. Numerical solutions for the cases where analytic consideration is not possible are provided.
On the extraordinary strength of Prince Rupert's drops
Authors: Aben H. , Anton J. , Õis M. , Viswanathan K. , Chandrasekar S. , Chaudhri M. M.
Published: December 2016

Prince Rupert's drops (PRDs), also known as Batavian tears, have been in existence since the early 17th century. They are made of a silicate glass of a high thermal expansion coefficient and have the shape of a tadpole. Typically, the diameter of the head of a PRD is in the range of 5–15 mm and that of the tail is 0.5 to 3.0 mm. PRDs have exceptional strength properties: the head of a PRD can withstand impact with a small hammer, or compression between tungsten carbide platens to high loads of ∼15 000 N, but the tail can be broken with just finger pressure leading to catastrophic disintegration of the PRD. We show here that the high strength of a PRD comes from large surface compressive stresses in the range of 400–700 MPa, determined using techniques of integrated photoelasticity. The surface compressive stresses can suppress Hertzian cone cracking during impact with a small hammer or compression between platens. Finally, it is argued that when the compressive force on a PRD is very high, plasticity in the PRD occurs, which leads to its eventual destruction with increasing load.
Influence of 90° charged domain walls on the electrocaloric effect in PbTiO3 ferroelectric thin films
Authors: Huang D. , Wang J. B. , Li B. , Zhong X. L. , Zhang Y.
Published: December 2016

The electrocaloric (EC) effect in PbTiO3 ferroelectric thin films (FETFs) with an array of partially compensated head-to-head (HH) and tail-to-tail (TT) 90° charged domain walls (CDWs) has been studied by using a phase field method. The calculation results indicate that the magnitude of the adiabatic temperature change ΔT increases with the diminution of the charge density (ρ*), in which ρ* is provided by charged defects or band bending. In particular, a negative EC effect caused by the direction difference between the applied electric field and the dipole is found near the HH and TT domain walls when ρ* > 2.0. The EC strength |ΔT|/|ΔE| is 0.020 K cm kV−1 with the positive ΔT = 2.03 K at the external dimensionless electric field Eb*=0.08 (ΔE = 104 kV cm−1). These results indicate that the CDWs can provide an efficient way to adjust the EC effect of FETFs for refrigeration applications at room temperature.
Current drive with combined electron cyclotron wave and high harmonic fast wave in tokamak plasmas
Authors: Li J. C. , Gong X. Y. , Dong J. Q. , Wang J. , Zhang N. , Zheng P. W. , Yin C. Y.
Published: December 2016

The current driven by combined electron cyclotron wave (ECW) and high harmonic fast wave is investigated using the GENRAY/CQL3D package. It is shown that no significant synergetic current is found in a range of cases with a combined ECW and fast wave (FW). This result is consistent with a previous study [Harvey et al., in Proceedings of IAEA TCM on Fast Wave Current Drive in Reactor Scale Tokamaks (Synergy and Complimentarily with LHCD and ECRH), Arles, France, IAEA, Vienna, 1991]. However, a positive synergy effect does appear with the FW in the lower hybrid range of frequencies. This positive synergy effect can be explained using a picture of the electron distribution function induced by the ECW and a very high harmonic fast wave (helicon). The dependence of the synergy effect on the radial position of the power deposition, the wave power, the wave frequency, and the parallel refractive index is also analyzed, both numerically and physically.
First-principles study on native point defects of cubic cuprite Ag2O
Authors: Yin Yuan , Chen Guangde , Duan Xiangyang , Ye Honggang , Jin Wentao , Zhu Youzhang , Wu Yelong
Published: December 2016

Using the first-principles calculations, we have systematically investigated the atomic configurations, electronic structures, formation energies and transition energies of native point defects in cuprite Ag2O. Under the conditions of Ag-rich, we find that the oxygen vacancy (VO) and the oxygen interstitial (Oi) have the lowest formation energies in p-type and n-type conditions, respectively. Silver vacancy (VAg) acts as a shallow acceptor, which has high formation energy in p-type sample. Oxygen anti-site (OAg) is the most stable state and acts as an acceptor-type point defect in the O-rich conditions. Ag interstitial (Agi) is a shallow donor, which can be formed easily in the Ag-rich conditions. Moreover, we study the band offsets of heterojunction between Ag2O in cuprite structure and ZnO, GaN, and AlN in the wurtzite structure. These results would provide guidance for the experimental studies of point defects in cuprite Ag2O.