bluuebunny/crossref_metadata_2025 huggingface dataset:
Introduction: Assessing the Effects of Conditional Cash Transfers in Latin American Societies in the Early Twenty-First Century
Authors: Papadopoulos Theodoros , Velázquez Leyer Ricardo
Published: May 2016

Latin America has emerged as a social policy ‘laboratory’ in recent decades and most prominent among the social policy innovations developed in the region are the so-called Conditional Cash Transfer (CCT) programmes (Cecchini et al., 2015; Borges Sugiyama, 2011; Martínez Franzoni et al., 2009). They have been widely promoted by international organisations across the world as policy instruments that enhance human capital and the agency of participants while reducing poverty and inequality and promoting co-responsibility and self-help in the long-term (see Sandberg, 2015; Bastagli, 2009; Lomelí, 2008, 2009).
Policy Type and Justification Influences on Support for Affirmative	Action Policies
Authors: Aberson Christopher L.
Published: May 2016

Abstract. This study examines the influence of policy type (recruitment vs. tiebreaker) and policy justification (no justification vs. justified as increasing organizational diversity) on support for a hiring policy. Consistent with predictions, recruitment policies received greater support than tiebreakers and participants preferred justified policies to those presented without justification. However, the impact of justifications differed across policies. Justifications increased support for tiebreaker policies but did not increase support for recruitment approaches. The paper discusses these results in terms of fairness heuristic theory and implications for enhancing support for other forms of affirmative action.
A bispecific antibody targeting sclerostin and DKK-1 promotes bone mass accrual and fracture repair
Authors: Florio Monica , Gunasekaran Kannan , Stolina Marina , Li Xiaodong , Liu Ling , Tipton Barbara , Salimi-Moosavi Hossein , Asuncion Franklin J. , Li Chaoyang , Sun Banghua , Tan Hong Lin , Zhang Li , Han Chun-Ya , Case Ryan , Duguay Amy N. , Grisanti Mario , Stevens Jennitte , Pretorius James K. , Pacheco Efrain , Jones Heidi , Chen Qing , Soriano Brian D. , Wen Jie , Heron Brenda , Jacobsen Frederick W. , Brisan Emil , Richards William G. , Ke Hua Zhu , Ominsky Michael S.
Published: May 2016

Inhibition of the Wnt antagonist sclerostin increases bone mass in patients with osteoporosis and in preclinical animal models. Here we show increased levels of the Wnt antagonist Dickkopf-1 (DKK-1) in animals treated with sclerostin antibody, suggesting a negative feedback mechanism that limits Wnt-driven bone formation. To test our hypothesis that co-inhibition of both factors further increases bone mass, we engineer a first-in-class bispecific antibody with single residue pair mutations in the Fab region to promote efficient and stable cognate light–heavy chain pairing. We demonstrate that dual inhibition of sclerostin and DKK-1 leads to synergistic bone formation in rodents and non-human primates. Furthermore, by targeting distinct facets of fracture healing, the bispecific antibody shows superior bone repair activity compared with monotherapies. This work supports the potential of this agent both for treatment and prevention of fractures and offers a promising therapeutic approach to reduce the burden of low bone mass disorders.
Quantum annealing for the number-partitioning problem using a tunable spin glass of ions
Authors: Graß Tobias , Raventós David , Juliá-Díaz Bruno , Gogolin Christian , Lewenstein Maciej
Published: May 2016

Exploiting quantum properties to outperform classical ways of information processing is an outstanding goal of modern physics. A promising route is quantum simulation, which aims at implementing relevant and computationally hard problems in controllable quantum systems. Here we demonstrate that in a trapped ion setup, with present day technology, it is possible to realize a spin model of the Mattis-type that exhibits spin glass phases. Our method produces the glassy behaviour without the need for any disorder potential, just by controlling the detuning of the spin-phonon coupling. Applying a transverse field, the system can be used to benchmark quantum annealing strategies which aim at reaching the ground state of the spin glass starting from the paramagnetic phase. In the vicinity of a phonon resonance, the problem maps onto number partitioning, and instances which are difficult to address classically can be implemented.
Structure of the intact ATM/Tel1 kinase
Authors: Wang Xuejuan , Chu Huanyu , Lv Mengjuan , Zhang Zhihui , Qiu Shuwan , Liu Haiyan , Shen Xuetong , Wang Weiwu , Cai Gang
Published: May 2016

The ataxia-telangiectasia mutated (ATM) protein is an apical kinase that orchestrates the multifaceted DNA-damage response. Normally, ATM kinase is in an inactive, homodimer form and is transformed into monomers upon activation. Besides a conserved kinase domain at the C terminus, ATM contains three other structural modules, referred to as FAT, FATC and N-terminal helical solenoid. Here we report the first cryo-EM structure of ATM kinase, which is an intact homodimeric ATM/Tel1 from Schizosaccharomyces pombe. We show that two monomers directly contact head-to-head through the FAT and kinase domains. The tandem N-terminal helical solenoid tightly packs against the FAT and kinase domains. The structure suggests that ATM/Tel1 dimer interface and the consecutive HEAT repeats inhibit the binding of kinase substrates and regulators by steric hindrance. Our study provides a structural framework for understanding the mechanisms of ATM/Tel1 regulation as well as the development of new therapeutic agents.
Population-weighted efficiency in transportation networks
Authors: Dong Lei , Li Ruiqi , Zhang Jiang , Di Zengru
Published: May 2016

Transportation efficiency is critical for the operation of cities and is attracting great attention worldwide. Improving the transportation efficiency can not only decrease energy consumption, reduce carbon emissions, but also accelerate people’s interactions, which will become more and more important for sustainable urban living. Generally, traffic conditions in less-developed countries are not so good due to the undeveloped economy and road networks, while this issue is rarely studied before, because traditional survey data in these areas are scarce. Nowadays, with the development of ubiquitous mobile phone data, we can explore the transportation efficiency in a new way. In this paper, based on users’ call detailed records (CDRs), we propose an indicator named population-weighted efficiency (PWE) to quantitatively measure the efficiency of the transportation networks. PWE can provide insights into transportation infrastructure development, according to which we identify dozens of inefficient routes at both the intra- and inter-city levels, which are verified by several ongoing construction projects in Senegal. In addition, we compare PWE with excess commuting indices and the fitting result of PWE is better than excess commuting index, which also proves the validity of our method.
RETRACTED ARTICLE: Acute Toxicity and Gastroprotection Studies of a New Schiff Base Derived Manganese (II) Complex against HCl/Ethanol-Induced Gastric Ulcerations in Rats
Authors: Ibrahim Mohamed Yousif , Hashim Najihah Mohd , Dhiyaaldeen Summaya M. , Al-Obaidi Mazen M.Jamil , El-Ferjani Rashd M. , Adam Hoyam , Alkotaini Bassam , Batran Rami Al , Ali Hapipah Mohd
Published: May 2016

Manganese is a crucial element for health. In this study, the gastroprotective efficacy of Mn (II) complex (MDLA) against acidified ethanol (HCl/Ethanol)-induced gastric ulceration in rats was evaluated. The animals were distributed into 5 groups. Groups 1 and 2 received carboxymethylcellulose (CMC), group 3 was pretreated with omeprazole, and groups 4 and 5 were given 10 and 20 mg/kg of MDLA, respectively. After one hour, CMC and HCl/Ethanol were given to groups 2–5 whilst the animals in group 1 were ingested with CMC. After sacrifice, gastric lesions were evaluated by wall mucus, gross appearance, histology, antioxidant enzymes and immunohistochemistry. Group 2 displayed severe gastric damage with a significant reduction in wall mucus. Conversely, gastric lesions were reduced in groups 3–5 by 85.72%, 56.51% and 65.93%, respectively. The rats in groups 3–5 showed up-regulation of heat shock protein 70 (Hsp70) with down-regulation of Bcl-2-associated protein x (Bax). Pretreatment with omeprazole or MDLA led to an increase in the uptake of Periodic Acid Schiff (PAS) stain in the glandular part of the gastric tissue, raised levels of prostaglandin E2 (PGE2) and superoxide dismutase (SOD), and a reduction in malondialdehyde (MDA) concentrations. These results suggested the gastroprotective action of Mn (II) complex.
Dramatically decreased magnetoresistance in non-stoichiometric WTe2 crystals
Authors: Lv Yang-Yang , Zhang Bin-Bin , Li Xiao , Pang Bin , Zhang Fan , Lin Da-Jun , Zhou Jian , Yao Shu-Hua , Chen Y. B. , Zhang Shan-Tao , Lu Minghui , Liu Zhongkai , Chen Yulin , Chen Yan-Feng
Published: May 2016

Recently, the layered semimetal WTe2has attracted renewed interest owing to the observation of a non-saturating and giant positive magnetoresistance (~105%), which can be useful for magnetic memory and spintronic devices. However, the underlying mechanisms of the giant magnetoresistance are still under hot debate. Herein, we grew the stoichiometric and non-stoichiometric WTe2crystals to test the robustness of giant magnetoresistance. The stoichiometric WTe2crystals have magnetoresistance as large as 3100% at 2 K and 9-Tesla magnetic field. However, only 71% and 13% magnetoresistance in the most non-stoichiometry (WTe1.80) and the highest Mo isovalent substitution samples (W0.7Mo0.3Te2) are observed, respectively. Analysis of the magnetic-field dependent magnetoresistance of non-stoichiometric WTe2crystals substantiates that both the large electron-hole concentration asymmetry and decreased carrier mobility, induced by non-stoichiometry, synergistically lead to the decreased magnetoresistance. This work sheds more light on the origin of giant magnetoresistance observed in WTe2.
A new family of bizarre durophagous carnivorous marsupials from Miocene deposits in the Riversleigh World Heritage Area, northwestern Queensland
Authors: Archer M. , Hand S. J. , Black K. H. , Beck R. M. D. , Arena D. A. , Wilson L. A. B. , Kealy S. , Hung T.-t.
Published: May 2016

A new specimen of the bizarrely specialised Malleodectes mirabilis from middle Miocene deposits in the Riversleigh World Heritage Area provides the first and only information about the molar dentition of this strange group of extinct marsupials. Apart from striking autapomorphies such as the enormous P3, other dental features such as stylar cusp D being larger than B suggest it belongs in the Order Dasyuromorphia. Phylogenetic analysis of 62 craniodental characters places Malleodectes within Dasyuromorphia albeit with weak support and without indication of specific relationships to any of the three established families (Dasyuridae, Myrmecobiidae and Thylacinidae). Accordingly we have allocated Malleodectes to the new family, Malleodectidae. Some features suggest potential links to previously named dasyuromorphians from Riversleigh (e.g., Ganbulanyi) but these are too poorly known to test this possibility. Although the original interpretation of a steeply declining molar row in Malleodectes can be rejected, it continues to seem likely that malleodectids specialised on snails but probably also consumed a wider range of prey items including small vertebrates. Whatever their actual diet, malleodectids appear to have filled a niche in Australia’s rainforests that has not been occupied by any other mammal group anywhere in the world from the Miocene onwards.
Haem-assisted dityrosine-cross-linking of fibrinogen under non-thermal plasma exposure: one important mechanism of facilitated blood coagulation
Authors: Ke Zhigang , Huang Qing
Published: May 2016

Although blood coagulation facilitated by non-thermal plasma has been reported several years ago, the insight to the involved mechanisms is still rather limited. In this work, we report our discovery of a new mechanism for the haem-promoted blood-coagulation caused by non-thermal plasma treatment. The reason for the haem role is due to that its oxidized form, namely, hematin, can promote the dityrosine cross-linking of fibrinogen, the most important coagulation protein, to form a membrane-like layer on the surface of the treated blood with plasma exposure. Both haem and non-thermal-plasma generated hydrogen peroxide are requisite for the cross-linking process. We confirmed that fibrinogen can coordinate with the haem iron to form a protein-haem complex which shows pseudo-peroxidase activity and in the presence of hydrogen peroxide, the complex can induce the dityrosine formation between fibrinogen molecules, leading to the fibrin network necessary for the blood coagulation. Understanding of such an underlying mechanism can be useful to guide more efficient application of non-thermal plasma in the management of hemostasis, thrombosis and etc.
Highly sensitive colorimetric detection of glucose and uric acid in biological fluids using chitosan-modified paper microfluidic devices
Authors: Gabriel Ellen F. M. , Garcia Paulo T. , Cardoso Thiago M. G. , Lopes Flavio M. , Martins Felipe T. , Coltro Wendell K. T.
Published: May 2016

This paper describes the modification of microfluidic paper-based analytical devices (μPADs) with chitosan to improve the analytical performance of colorimetric measurements associated with enzymatic bioassays.
Complexometric titrations: new reagents and concepts to overcome old limitations
Authors: Zhai Jingying , Bakker Eric
Published: May 2016

Chelators and end point indicators are the most important parts of complexometric titrations.
The presence of a 5′-abasic lesion enhances discrimination of single nucleotide polymorphisms while inducing an isothermal ligase chain reaction
Authors: Kausar Abu , Osman Eiman A. , Gadzikwa Tendai , Gibbs-Davis Julianne M.
Published: May 2016

Lesion-induced DNA amplification (LIDA) has been employed in the detection of single nucleotide polymorphisms (SNPs).
Development of a low level detection method for 2-chloromalonaldehyde in active pharmaceutical ingredients by HILIC separation
Authors: Denton Justin R. , Berwick Lorrie , Loughlin Thomas P.
Published: May 2016

2-Chloromalonaldehyde (2-ClMA) is utilized in the pharmaceutical sector as a reagent to form thiazole heterocycles which can be further functionalized. In silico assessment has flagged 2-ClMA as a potential mutagenic impurity.
Engineering and manufacturing of pharmaceutical co-crystals: a review of solvent-free manufacturing technologies
Authors: Ross S. A. , Lamprou D. A. , Douroumis D.
Published: May 2016

Engineering and manufacturing of pharmaceutical cocrystals.
Preparation of large size, few-layer black phosphorus nanosheets via phytic acid-assisted liquid exfoliation
Authors: Xu Jing-Yin , Gao Lin-Feng , Hu Chen-Xia , Zhu Zhi-Yuan , Zhao Min , Wang Qiang , Zhang Hao-Li
Published: May 2016

Ultrathin large BP nanosheets prepared via small molecule–assisted liquid phase exfoliation exhibited attractive electron accepting abilities from photosensitizers.
Ship in a breakable bottle: fluoride-induced release of an organic molecule from a Pr(iii)-linked molecular cage
Authors: Lee Juhoon , Waggoner Nolan W. , Polanco Luis , You Ga Rim , Lynch Vincent M. , Kim Sung Kuk , Humphrey Simon M. , Sessler Jonathan L.
Published: May 2016

A 3-dimensional networked molecular cage,NMC-1, has been synthesized that acts like a ‘molecular ship’ in a ‘breakable bottle’.
Correction: A strongly greenish-blue-emitting Cu4Cl4 cluster with an efficient spin–orbit coupling (SOC): fast phosphorescence versus thermally activated delayed fluorescence
Authors: Chen Xu-Lin , Yu Rongmin , Wu Xiao-Yuan , Liang Dong , Jia Ji-Hui , Lu Can-Zhong
Published: May 2016

Correction for ‘A strongly greenish-blue-emitting Cu4Cl4 cluster with an efficient spin–orbit coupling (SOC): fast phosphorescence versus thermally activated delayed fluorescence’ by Xu-Lin Chen et al., Chem. Commun., 2016, 52, 6288–6291.
Irradiation-induced grain growth and defect evolution in nanocrystalline zirconia with doped grain boundaries
Authors: Dey Sanchita , Mardinly John , Wang Yongqiang , Valdez James A. , Holesinger Terry G. , Uberuaga Blas P. , Ditto Jeff J. , Drazin John W. , Castro Ricardo H. R.
Published: May 2016

Irradiation induced grain growth in nanocrystalline zirconia cannot be stopped by using similar strategies as in thermally induced grain growth.
A re-investigation of 4JFF and 5JFF nuclear spin–spin couplings in substituted benzenes, a novel conformational tool
Authors: Abraham Raymond J. , Cooper M. Ashley
Published: May 2016

The FF couplings in fluorobenzenes are separated into their σ and π components and this provides a novel method of determining the conformation of the C-1 substituent in 2,6-difluorobenzenes.
The effect of imidazolium cations on the structure and activity of the Candida antarctica Lipase B enzyme in ionic liquids
Authors: Kim Ho Shin , Eom Doyoung , Koo Yoon-Mo , Yingling Yaroslava G.
Published: May 2016

To understand how cations affect the enzyme structure and activity of Candida antarctica Lipase B, we performed MD simulations of CALB in four types of ionic liquids with varying sizes of cations and correlated the results with the experimental data.
Stiff-stilbene photoswitch ruptures bonds not by pulling but by local heating
Authors: Stauch Tim , Dreuw Andreas
Published: May 2016

The forces generated by stiff-stilbene during photoswitching are too low to cause bond rupture, which is instead initiated by heating.
Reductive nitrosylation of nickel(ii) complex by nitric oxide followed by nitrous oxide release
Authors: Ghosh Somnath , Deka Hemanta , Dangat Yuvraj B. , Saha Soumen , Gogoi Kuldeep , Vanka Kumar , Mondal Biplab
Published: May 2016

Ni(ii) complex of bis-(2-ethyl-4-methylimidazol-5-yl)methane in methanol undergoes reductive nitrosylation in presence of NO to afford the corresponding Ni(i)-nitrosyl intermediate. Subsequent reaction with additional NO releases N2O with Ni(ii)-nitrito complex formation.
Highly efficient dehydrogenation of formic acid in aqueous solution catalysed by an easily available water-soluble iridium(iii) dihydride
Authors: Papp G. , Ölveti G. , Horváth H. , Kathó Á. , Joó F.
Published: May 2016

Water-soluble cis-mer-[IrH2Cl(mtppms)3] selectively dehydrogenated formic acid with a TOF of 298 000 h−1, a final pressure of 140 bar, and a TONmax of 674 000.
Hysteresis-free low-temperature-processed planar perovskite solar cells with 19.1% efficiency
Authors: Yoon Heetae , Kang Seong Min , Lee Jong-Kwon , Choi Mansoo
Published: May 2016

Hysteresis-free and highly efficient CH3NH3PbI3 perovskite solar cells employing a compact C60 material as an electron transport layer have been developed for the first time using both rigid glass and plastic substrates.
Contracted but effective: production of enantiopure 2,3-butanediol by thermophilic and GRAS Bacillus licheniformis
Authors: Ge Yongsheng , Li Kun , Li Lixiang , Gao Chao , Zhang Lijie , Ma Cuiqing , Xu Ping
Published: May 2016

A contracted but effective “SAME” process to achieve efficient microbes for enantiopure 2,3-BD production is reported.
The synthesis and highly sensitive detection of water content in THF using a novel solvatochromic AIE polymer containing diketopyrrolopyrrole and triphenylamine
Authors: Wang Lingyun , Yang Lingling , Li Lin , Cao Derong
Published: May 2016

The polymerN1with solvatochromism and AIE features functions as a qualitative and quantitative probe for low-level water content in THF.
Glyco-gold nanoparticle shapes enhance carbohydrate–protein interactions in mammalian cells
Authors: Sangabathuni Sivakoti , Vasudeva Murthy Raghavendra , Chaudhary Preeti Madhukar , Surve Manalee , Banerjee Anirban , Kikkeri Raghavendra
Published: May 2016

Shape dependent uptake of glyco-gold nanoparticles (G-AuNPs) in a HeLa cell line.
The effect of indium substitution on the structure and NLO properties of Ba6Cs2Ga10Se20Cl4
Authors: Li Yan-Yan , Liu Peng-Fei , Lin Hua , Wang Mei-Tian , Chen Ling
Published: May 2016

Two new indium substituted Ba6Cs2In2Ga8Se20Cl4 and Ba6Cs2InGa9Se20Cl4 were synthesized with better crystallinity and enhanced LIDT without adversely affecting the SHG.
Polyelectrolyte multilayers assembled from IL-10 plasmid DNA and TGF-β siRNA facilitate chronic pancreatitis treatment
Authors: Feng Wen-ming , Guo Hui-hui , Xue Tao , Wang Xiang , Tang Cheng-wu , Ying Bao , Gong Hui , Cui Ge
Published: May 2016

Nanoparticles assembled with IL-10 plasmid DNA and TGF-β siRNA can reduce inflammation and fibrosis in mice with chronic pancreatitis (CP).
Synthesis of a novel ferrocene-based epoxy compound and its burning rate catalytic property
Authors: Zhou Weidong , Wang Li , Yu Haojie , Zain-ul-Abdin Zain-ul-Abdin , Yang Xianpeng , Chen Qing , Wang Junhua
Published: May 2016

3-(Ferrocenylcarbonyl)propionic acid diglycidyl ester (FCPADE) was synthesized and characterized. Its electrochemical behavior, catalytic performance on decomposition of AP and anti-migration property were investigated.
Continuous solid solutions of Na0.5La0.5TiO3–LaCrO3 for photocatalytic H2 evolution under visible-light irradiation
Authors: Shi Jinwen , Zong Shichao , Hu Yuchao , Guan Xiangjiu , Luo Jiaying , Shang Yi , Li Guoxing , Liu Dongyu , Wang Xin , Guo Penghui
Published: May 2016

(Na0.5La0.5TiO3)1−x(LaCrO3)x solid solutions showed enhanced visible-light-driven photocatalytic activities for H2 evolution due to the narrowed bandgaps and increased lattice distortion.
Facile and large scale in situ synthesis of the thermal responsive fluorescent SiNPs/PNIPAM hydrogels
Authors: Zhang Xiao-Yan , Zheng Yan , Liu Chun-Hua , Wang Ping-Hua , Zhu Yuan-Yuan
Published: May 2016

A new type of F-SiNPs/poly(N-isopropylacrylamide) (F-SiNPs/PNIPAM) hydrogel was prepared byin situpolymerization. The composite hydrogels display visible thermal-sensitive phase transition properties.
Magnetic-downconversion luminescent bifunctional BaGdF5:Dy3+,Eu3+ nanospheres: energy transfer, multicolor luminescence and paramagnetic properties
Authors: Guan Hongxia , Song Yanhua , Ma Pingchuan , Chang Meiqi , Chen Jie , Wang Yuexin , Yuan Bo , Zou Haifeng
Published: May 2016

The color-tunable and white light emissions have been obtained in Dy3+ and Eu3+ co-activated BaGdF5 phosphors by adopting different excitation wavelengths. Simultaneously, the obtained samples also exhibit paramagnetic properties at room temperature and low temperature.
Novel polystyrene-based nanocomposites by phosphorene dispersion
Authors: Passaglia Elisa , Cicogna Francesca , Lorenzetti Giulia , Legnaioli Stefano , Caporali Maria , Serrano-Ruiz Manuel , Ienco Andrea , Peruzzini Maurizio
Published: May 2016

Polystyrene-based phosphorene nanocomposites were prepared by a solvent blending procedure allowing the embedding of black phosphorus (BP) nanoflakes in the polymer matrix.
Heat and solvent responsive polytriazole: shape recovery properties in different solvents
Authors: Ramdas M. Ragin , Kumar K. S. Santhosh , Nair C. P. Reghunadhan
Published: May 2016

Shape memory polytriazole actuatable by both heat and solvents is presented. Hydrogen bonding solvents exhibit strong influence on shape recovery.
The emergence of quantum capacitance in epitaxial graphene
Authors: Ben Gouider Trabelsi A. , Kusmartsev F. V. , Forrester D. M. , Kusmartseva O. E. , Gaifullin M. B. , Cropper P. , Oueslati M.
Published: May 2016

We found an intrinsic redistribution of charge arises between epitaxial graphene, which has intrinsically n-type doping, and an undoped substrate.
Glycosylation of matrix metalloproteases and tissue inhibitors: present state, challenges and opportunities
Authors: Boon Lise , Ugarte-Berzal Estefania , Vandooren Jennifer , Opdenakker Ghislain
Published: May 2016

Matrix metalloproteases (MMPs) are crucial components of a complex and dynamic network of proteases. With a wide range of potential substrates, their production and activity are tightly controlled by a combination of signalling events, zymogen activation, post-translational modifications and extracellular inhibition. Slight imbalances may result in the initiation or progression of specific disease states, such as cancer and pathological inflammation. As glycosylation modifies the structures and functions of glycoproteins and many MMPs contain N- or O-linked oligosaccharides, we examine, compare and evaluate the evidence for whether glycosylation affects MMP catalytic activity and other functions. It is interesting that the catalytic sites of MMPs do not contain O-linked glycans, but instead possess a conserved N-linked glycosylation site. Both N- and O-linked oligosaccharides, attached to specific protein domains, endow these domains with novel functions such as the binding to lectins, cell-surface receptors and tissue inhibitors of metalloproteases (TIMPs). Validated glycobiological data on N- and O-linked oligosaccharides of gelatinase B/MMP-9 and on O-linked structures of membrane-type 1 MMP/MMP-14 indicate that in-depth research of other MMPs may yield important insights, e.g. about subcellular localizations and functions within macromolecular complexes.
Nitroxyl (HNO) reduces endothelial and monocyte activation and promotes M2 macrophage polarization
Authors: Andrews Karen L. , Sampson Amanda K. , Irvine Jennifer C. , Shihata Waled A. , Michell Danielle L. , Lumsden Natalie G. , Lim Chloe , Huet Olivier , Drummond Grant R. , Kemp-Harper Barbara K. , Chin-Dusting Jaye P. F.
Published: May 2016

Nitroxyl anion (HNO) donors are currently being assessed for their therapeutic utility in several cardiovascular disorders including heart failure. Here, we examine their effect on factors that precede atherosclerosis including endothelial cell and monocyte activation, leucocyte adhesion to the endothelium and macrophage polarization. Similar to the NO donor glyceryl trinitrate (GTN), the HNO donors Angeli's salt (AS) and isopropylamine NONOate (IPA/NO) decreased leucocyte adhesion to activated human umbilical vein endothelial cells (HUVECs) and mouse isolated aorta. This reduction in adhesion was accompanied by a reduction in intercellular adhesion molecule-1 (ICAM-1) and the cytokines monocyte chemoattractant protein 1 (MCP-1) and interleukin 6 (IL-6) which was inhibitor of nuclear factor κB (NFκB) α (IκBα)- and subsequently NFκB-dependent. Intriguingly, the effects of AS on leucocyte adhesion, like those on vasodilation, were found to not be susceptible to pharmacological tolerance, unlike those observed with GTN. As well, HNO reduces monocyte activation and promotes polarization of M2 macrophages. Taken together, our data demonstrate that HNO donors can reduce factors that are associated with and which precede atherosclerosis and may thus be useful therapeutically. Furthermore, since the effects of the HNO donors were not subject to tolerance, this confers an additional advantage over NO donors.
Patterning Ag film by a facile, efficient and environment‐friendly way
Authors: Wang Bo , Song Jungsuk , Cheng Ping , Wang Hong , Yang Zhuoqing , Ding Guifu
Published: May 2016

Silver (Ag) film has wide applications in micro‐electromechanical system such as reference electrode, interconnect and inductance. The majority of Ag metallisation patterning is realised by dry technology, which is inefficient and high cost. Electroplating process using negative photoresist SU‐8 as the electroplating mould has been reported for Ag film patterning. However, the UV solidified SU‐8 is difficult to remove. An acid cyanide‐free Ag plating bath (thiosulphate bath) has been introduced to fabricate patterned Ag film using the positive photoresist as the electroplating mould, which is environment‐friendly and compatible with the micro‐electromechanical systems process. The Ag film with different line widths was fabricated by micromachining process. Compared to the reported bath, the Ag film presented here had smaller roughness, crystallites and higher hardness, which would improve its performance. A low cost, efficient and environment‐friendly method to fabricate thick patterned Ag film, which had potential applications in electronic industry and medical apparatus, was provided.
Rungs 1 to 4 of DFT Jacob’s ladder: Extensive test on the lattice constant, bulk modulus, and cohesive energy of solids
Authors: Tran Fabien , Stelzl Julia , Blaha Peter
Published: May 2016

A large panel of old and recently proposed exchange-correlation functionals belonging to rungs 1 to 4 of Jacob’s ladder of density functional theory are tested (with and without a dispersion correction term) for the calculation of the lattice constant, bulk modulus, and cohesive energy of solids. Particular attention will be paid to the functionals MGGA_MS2 [J. Sun et al., J. Chem. Phys. 138, 044113 (2013)], mBEEF [J. Wellendorff et al., J. Chem. Phys. 140, 144107 (2014)], and SCAN [J. Sun et al., Phys. Rev. Lett. 115, 036402 (2015)] which are meta-generalized gradient approximations (meta-GGA) and are developed with the goal to be universally good. Another goal is also to determine for which semilocal functionals and groups of solids it is beneficial (or not necessary) to use the Hartree-Fock exchange or a dispersion correction term. It is concluded that for strongly bound solids, functionals of the GGA, i.e., rung 2 of Jacob’s ladder, are as accurate as the more sophisticated functionals of the higher rungs, while it is necessary to use dispersion corrected functionals in order to expect at least meaningful results for weakly bound solids. If results for finite systems are also considered, then the meta-GGA functionals are overall clearly superior to the GGA functionals.
Molecular mobility in glassy dispersions
Authors: Mehta Mehak , McKenna Gregory B. , Suryanarayanan Raj
Published: May 2016

Dielectric spectroscopy was used to characterize the structural relaxation in pharmaceutical dispersions containing nifedipine (NIF) and either poly(vinyl) pyrrolidone (PVP) or hydroxypropyl methylcellulose acetate succinate (HPMCAS). The shape of the dielectric response (permittivity versus log time) curve was observed to be independent of temperature. Thus, for the pure NIF as well as the dispersions, the validity of the time-temperature superposition principle was established. Furthermore, though the shape of the full dielectric response varied with polymer concentration, the regime related to the α- or structural relaxation was found to superimpose for the dispersions, though not with the response of the NIF itself. Hence, there is a limited time-temperature-concentration superposition for these systems as well. Therefore, in this polymer concentration range, calculation of long relaxation times in these glass-forming systems becomes possible. We found that strong drug-polymer hydrogen bonding interactions improved the physical stability (i.e., delayed crystallization) by reducing the molecular mobility. The strength of hydrogen bonding, structural relaxation time, and crystallization followed the order: NIF−PV P>NIF−HPMCAS>NIF. With an increase in polymer concentration, the relaxation times were longer indicating a decrease in molecular mobility. The temperature dependence of relaxation time, in other words fragility, was independent of polymer concentration. This is the first application of the superposition principle to characterize structural relaxation in glassy pharmaceutical dispersions.
Influence of the exchange and correlation functional on the structure of amorphous InSb and In3SbTe2 compounds
Authors: Gabardi Silvia , Caravati Sebastiano , Los Jan H. , Kühne Thomas D. , Bernasconi Marco
Published: May 2016

We have investigated the structural, vibrational, and electronic properties of the amorphous phase of InSb and In3SbTe2 compounds of interest for applications in phase change non-volatile memories. Models of the amorphous phase have been generated by quenching from the melt by molecular dynamics simulations based on density functional theory. In particular, we have studied the dependence of the structural properties on the choice of the exchange-correlation functional. It turns out that the use of the Becke-Lee-Yang-Parr functional provides models with a much larger fraction of In atoms in a tetrahedral bonding geometry with respect to previous results obtained with the most commonly used Perdew-Becke-Ernzerhof functional. This outcome is at odd with the properties of Ge2Sb2Te5 phase change compound for which the two exchange-correlation functionals yield very similar results on the structure of the amorphous phase.
Search for giant magnetic anisotropy in transition-metal dimers on defected hexagonal boron nitride sheet
Authors: Li J. , Wang H. , Hu J. , Wu R. Q.
Published: May 2016

Structural and magnetic properties of many transition-metal dimers embedded in a defected hexagonal boron nitride monolayer are investigated through density functional calculations to search for systems with magnetic anisotropy energies (MAEs) larger than 30meV. In particular, Ir–Ir@Dh–BN is found to have both large MAE (∼126 meV) and high structural stability against dissociation and diffusion, and it hence can serve as magnetic unit in spintronics and quantum computing devices. This giant MAE mainly results from the spin orbit coupling and the magnetization of the upper Ir atom, which is in a rather isolated environment.
Analytic ab initio-based molecular interaction potential for the BrO⋅H2O complex
Authors: Hoehn Ross D. , Yeole Sachin D. , Kais Sabre , Francisco Joseph S.
Published: May 2016

Radical halogen oxide species play important roles within atmospheric processes, specifically those responsible for the removal of O3. To facilitate future investigations on this family of compounds, RCCSD(T)/aug-cc-pVQZ-level electronic structure calculations were employed to generate individual-molecule optimized geometries, as well as to determine the global minimum energy structure for the BrO⋅H2O complex. This information facilitated the generation of several one-dimensional potential energy surface (PES) scans for the BrO⋅H2O complex. Scans were performed for both the ground state and the first excited state; this inclusion is due to a low-lying first electronic excited-state energy. These rigid-geometry PES scans were used both to generate a novel analytic interaction potential by modifying the existing Thole-type model used for water and to the fitted potential function. This interaction potential features anisotropic atomic polarizabilities facilitating appropriate modeling of the physics regarding the unpaired electron residing within the p-orbitals of the oxygen atom of the bromine oxide radical. The intention of this work is to facilitate future molecular dynamics simulations involving the interaction between the BrO radical and water clusters as a first step in devising possible novel chemistries taking place at the water interface of clouds within the atmosphere.
A new streaked soft x-ray imager for the National Ignition Facility
Authors: Benstead J. , Moore A. S. , Ahmed M. F. , Morton J. , Guymer T. M. , Soufli R. , Pardini T. , Hibbard R. L. , Bailey C. G. , Bell P. M. , Hau-Riege S. , Bedzyk M. , Shoup M. J. , Reagan S. , Agliata T. , Jungquist R. , Schmidt D. W. , Kot L. B. , Garbett W. J. , Rubery M. S. , Skidmore J. W. , Gullikson E. , Salmassi F.
Published: May 2016

A new streaked soft x-ray imager has been designed for use on high energy-density (HED) physics experiments at the National Ignition Facility based at the Lawrence Livermore National Laboratory. This streaked imager uses a slit aperture, single shallow angle reflection from a nickel mirror, and soft x-ray filtering to, when coupled to one of the NIF’s x-ray streak cameras, record a 4× magnification, one-dimensional image of an x-ray source with a spatial resolution of less than 90 μm. The energy band pass produced depends upon the filter material used; for the first qualification shots, vanadium and silver-on-titanium filters were used to gate on photon energy ranges of approximately 300–510 eV and 200–400 eV, respectively. A two-channel version of the snout is available for x-ray sources up to 1 mm and a single-channel is available for larger sources up to 3 mm. Both the one and two-channel variants have been qualified on quartz wire and HED physics target shots.
The efficiency of self-phoretic propulsion mechanisms with surface reaction heterogeneity
Authors: Kreissl Patrick , Holm Christian , de Graaf Joost
Published: May 2016

We consider the efficiency of self-phoretic colloidal particles (swimmers) as a function of the heterogeneity in the surface reaction rate. The set of fluid, species, and electrostatic continuity equations is solved analytically using a linearization and numerically using a finite-element method. To compare spherical swimmers of different size and with heterogeneous catalytic conversion rates, a “swimmer efficiency” functional η is introduced. It is proven that in order to obtain maximum swimmer efficiency, the reactivity has to be localized at the pole(s). Our results also shed light on the sensitivity of the propulsion speed to details of the surface reactivity, a property that is notoriously hard to measure. This insight can be utilized in the design of new self-phoretic swimmers.
Low-frequency noise in AlTiO/AlGaN/GaN metal-insulator-semiconductor heterojunction field-effect transistors
Authors: Le Son Phuong , Ui Toshimasa , Nguyen Tuan Quy , Shih Hong-An , Suzuki Toshi-kazu
Published: May 2016

Using aluminum titanium oxide (AlTiO, an alloy of Al2O3 and TiO2) as a high-k gate insulator, we fabricated and investigated AlTiO/AlGaN/GaN metal-insulator-semiconductor heterojunction field-effect transistors. From current low-frequency noise (LFN) characterization, we find Lorentzian spectra near the threshold voltage, in addition to 1/f spectra for the well-above-threshold regime. The Lorentzian spectra are attributed to electron trapping/detrapping with two specific time constants, ∼25 ms and ∼3 ms, which are independent of the gate length and the gate voltage, corresponding to two trap level depths of 0.5–0.7 eV with a 0.06 eV difference in the AlTiO insulator. In addition, gate leakage currents are analyzed and attributed to the Poole-Frenkel mechanism due to traps in the AlTiO insulator, where the extracted trap level depth is consistent with the Lorentzian LFN.
Polarization response of clathrate hydrates capsulated with guest molecules
Authors: Zeng Qun , Li Jinshan , Huang Hui , Wang Xinqin , Yang Mingli
Published: May 2016

Clathrate hydrates are characterized by their water cages encapsulating various guest atoms or molecules. The polarization effect of these guest-cage complexes was studied with combined density functional theory and finite-field calculations. An addition rule was noted for these systems whose total polarizability is approximately equal to the polarizability sum of the guest and the cage. However, their distributional polarizability computed with Hirshfeld partitioning scheme indicates that the guest–cage interaction has considerable influence on their polarization response. The polarization of encapsulated guest is reduced while the polarization of water cage is enhanced. The counteraction of these two opposite effects leads to the almost unchanged total polarizability. Further analysis reveals that the reduced polarizability of encapsulated guest results from the shielding effect of water cage against the external field and the enhanced polarizability of water cage from the enhanced bonding of hydrogen bonds among water molecules. Although the charge transfer through the hydrogen bonds is rather small in the water cage, the polarization response of clathrate hydrates is sensitive to the changes of hydrogen bonding strength. The guest encapsulation strengthens the hydrogen bonding network and leads to enhanced polarizability.
Open ISEmeter: An open hardware high-impedance interface for potentiometric detection
Authors: Salvador C. , Mesa M. S. , Durán E. , Alvarez J. L. , Carbajo J. , Mozo J. D.
Published: May 2016

In this work, a new open hardware interface based on Arduino to read electromotive force (emf) from potentiometric detectors is presented. The interface has been fully designed with the open code philosophy and all documentation will be accessible on web. The paper describes a comprehensive project including the electronic design, the firmware loaded on Arduino, and the Java-coded graphical user interface to load data in a computer (PC or Mac) for processing. The prototype was tested by measuring the calibration curve of a detector. As detection element, an active poly(vinyl chloride)-based membrane was used, doped with cetyltrimethylammonium dodecylsulphate (CTA+-DS−). The experimental measures of emf indicate Nernstian behaviour with the CTA+ content of test solutions, as it was described in the literature, proving the validity of the developed prototype. A comparative analysis of performance was made by using the same chemical detector but changing the measurement instrumentation.
A picosecond beam-timing system for the OMEGA laser
Authors: Donaldson W. R. , Katz J. , Huff R. , Hill E. M. , Kelly J. H. , Kwiatkowski J. , Brannon R. B. , Boni R.
Published: May 2016

A timing system is demonstrated for the OMEGA Laser System that guarantees all 60 beams will arrive on target simultaneously with a root mean square variability of 4 ps. The system relies on placing a scattering sphere at the target position to couple the ultraviolet light from each beam into a single photodetector.
Numerical investigation of the spatiotemporal distribution of chemical species in an atmospheric surface barrier-discharge
Authors: Hasan M. I. , Walsh J. L.
Published: May 2016

Using a one dimensional time dependent convection-reaction-diffusion model, the temporal and spatial distributions of species propagating downstream of an atmospheric pressure air surface barrier discharge was studied. It was found that the distribution of negatively charged species is more spatially spread compared to positive ions species, which is attributed to the diffusion of electrons that cool down and attach to background gas molecules, creating different negative ions downstream of the discharge region. Given the widespread use of such discharges in applications involving the remote microbial decontamination of surfaces and liquids, the transport of plasma generated reactive species away from the discharge region was studied by implementing mechanical convection through the discharge region. It was shown that increased convection causes the spatial distribution of species density to become uniform. It was also found that many species have a lower density close to the surface of the discharge as convection prevents their accumulation. While for some species, such as NO2, convection causes a general increase in the density due to a reduced residence time close to the discharge region, where it is rapidly lost through reactions with OH. The impact of the applied power was also investigated, and it was found that the densities of most species, whether charged or neutral, are directly proportional to the applied power.
Single and double acceptor-levels of a carbon-hydrogen defect in n-type silicon
Authors: Stübner R. , Scheffler L. , Kolkovsky Vl. , Weber J.
Published: May 2016

In the present study, we discuss the origin of two dominant deep levels (E42 and E262) observed in n-type Si, which is subjected to hydrogenation by wet chemical etching or a dc H-plasma treatment. Their activation enthalpies determined from Laplace deep level transient spectroscopy measurements are EC-0.06 eV (E42) and EC-0.51 eV (E262). The similar annealing behavior and identical depth profiles of E42 and E262 correlate them with two different charge states of the same defect. E262 is attributed to a single acceptor state due to the absence of the Poole-Frenkel effect and the lack of a capture barrier for electrons. The emission rate of E42 shows a characteristic enhancement with the electric field, which is consistent with the assignment to a double acceptor state. In samples with different carbon and hydrogen content, the depth profiles of E262 can be explained by a defect with one H-atom and one C-atom. From a comparison with earlier calculations [Andersen et al., Phys. Rev. B 66, 235205 (2002)], we attribute E42 to the double acceptor and E262 to the single acceptor state of the CH1AB configuration, where one H atom is directly bound to carbon in the anti-bonding position.
Interfacial characterization of Al-Al thermocompression bonds
Authors: Malik N. , Carvalho P. A. , Poppe E. , Finstad T. G.
Published: May 2016

Interfaces formed by Al-Al thermocompression bonding were studied by the transmission electron microscopy. Si wafer pairs having patterned bonding frames were bonded using Al films deposited on Si or SiO2 as intermediate bonding media. A bond force of 36 or 60 kN at bonding temperatures ranging from 400–550 °C was applied for a duration of 60 min. Differences in the bonded interfaces of 200 μm wide sealing frames were investigated. It was observed that the interface had voids for bonding with 36 kN at 400 °C for Al deposited both on Si and on SiO2. However, the dicing yield was 33% for Al on Si and 98% for Al on SiO2, attesting for the higher quality of the latter bonds. Both a bond force of 60 kN applied at 400 °C and a bond force of 36 kN applied at 550 °C resulted in completely bonded frames with dicing yields of, respectively, 100% and 96%. A high density of long dislocations in the Al grains was observed for the 60 kN case, while the higher temperature resulted in grain boundary rotation away from the original Al-Al interface towards more stable configurations. Possible bonding mechanisms and reasons for the large difference in bonding quality of the Al films deposited on Si or SiO2 are discussed.
Effect of (Sr0.7Ca0.3)TiO3-substitution on structure, dielectric, ferroelectric, and magnetic properties of BiFeO3 ceramics
Authors: Liu Juan , Liu Xiao Qiang , Chen Xiang Ming
Published: May 2016

Bi1−x(Sr0.7Ca0.3)xFe1−xTixO3 ceramics were prepared by a standard solid state reaction process, and the influence of Sr/Ca ratio on structure and properties for Bi1−x(Sr,Ca)xFe1−xTixO3 system was discussed by comparing with Sr0.5Ca0.5TiO3-modified BiFeO3 ceramics. Rietveld analysis of X-ray diffraction data revealed that the crystal structure changed from rhombohedral R3c (x ≤ 0.4) to orthorhombic Pnma (x = 0.6) with Sr0.7Ca0.3TiO3 substitution, and biphasic structure (R3c + Pnma) was determined at x = 0.5, while that for Bi1−x(Sr0.5Ca0.5)xFe1−xTixO3 system was at x = 0.4. This indicated that the morphotropic phase boundary in Bi1−x(Sr,Ca)xFe1−xTixO3 system shifted toward (Sr,Ca)TiO3 side with increasing Sr/Ca ratio. The Raman spectrometric analysis and selected area electron diffraction analysis also confirmed this transition. The dielectric relaxation could be well fitted by Arrhenius law, and the different activation energies were attributed to the different origins of the dielectric relaxations with increasing temperature. The current density-field (J-E) curves indicated that the leakage current was reduced to about five orders of magnitude with Sr0.7Ca0.3TiO3 substitution. The P-E hysteresis loops obtained by three different methods indicated the enhanced ferroelectricity at x = 0.4, and it could be attributed to the decrement of leakage current. Meanwhile, the magnetization was enhanced with Sr0.7Ca0.3TiO3 substitution, and the maximum remanent magnetization was determined at x = 0.2. The enhanced magnetization originated from the partial substitution of Fe3+ by Ti4+
Robust authentication through stochastic femtosecond laser filament induced scattering surfaces
Authors: Zhang Haisu , Tzortzakis Stelios
Published: May 2016

We demonstrate a reliable authentication method by femtosecond laser filament induced scattering surfaces. The stochastic nonlinear laser fabrication nature results in unique authentication robust properties. This work provides a simple and viable solution for practical applications in product authentication, while also opens the way for incorporating such elements in transparent media and coupling those in integrated optical circuits.