bluuebunny/crossref_metadata_2025 huggingface dataset:
Three-dimensional digital microfluidic manipulation of droplets in oil medium
Authors: Hong Jiwoo , Kim Young Kwon , Won Dong-Joon , Kim Joonwon , Lee Sang Joon
Published: June 2015

We here develop a three-dimensional DMF (3D DMF) platform with patterned electrodes submerged in an oil medium to provide fundamental solutions to the technical limitations of 2D DMF platforms and water–air systems. 3D droplet manipulation on patterned electrodes is demonstrated by programmably controlling electrical signals. We also demonstrate the formation of precipitates on the 3D DMF platform through the reaction of different chemical samples. A droplet containing precipitates, hanging on the top electrode, can be manipulated without adhesion of precipitates to the solid surface. This method could be a good alternative strategy to alleviate the existing problems of 2D DMF systems such as cross-contamination and solute adsorption. In addition, we ascertain the feasibility of temperature-controlled chemical reaction on the 3D DMF platform by introducing a simple heating process. To demonstrate applicability of the 3D DMF system to 3D biological process, we examine the 3D manipulation of droplets containing mouse fibroblasts in the 3D DMF platform. Finally, we show detachment of droplets wrapped by a flexible thin film by adopting the electro-elasto-capillarity (EEC). The employment of the EEC may offer a strong potential in the development of 3D DMF platforms for drug encapsulation and actuation of microelectromechanical devices.
Tuning Organic Carbon Dioxide Absorbents for Carbonation and Decarbonation
Authors: Rajamanickam Ramachandran , Kim Hyungsoo , Park Ji-Woong
Published: June 2015

The reaction of carbon dioxide with a mixture of a superbase and alcohol affords a superbase alkylcarbonate salt via a process that can be reversed at elevated temperatures. To utilize the unique chemistry of superbases for carbon capture technology, it is essential to facilitate carbonation and decarbonation at desired temperatures in an easily controllable manner. Here, we demonstrate that the thermal stabilities of the alkylcarbonate salts of superbases in organic solutions can be tuned by adjusting the compositions of hydroxylic solvent and polar aprotic solvent mixtures, thereby enabling the best possible performances to be obtained from the various carbon dioxide capture agents based on these materials. The findings provides valuable insights into the design and optimization of organic carbon dioxide absorbents.
Somatic expression of unc-54 and vha-6 mRNAs declines but not pan-neuronal rgef-1 and unc-119 expression in aging Caenorhabditis elegans
Authors: Adamla Frauke , Ignatova Zoya
Published: June 2015

Aging is a highly controlled biological process characterized by a progressive deterioration of various cellular activities. One of several hallmarks of aging describes a link to transcriptional alteration, suggesting that it may impact the steady-state mRNA levels. We analyzed the mRNA steady-state levels of polyCAG-encoding transgenes and endogenous genes under the control of well-characterized promoters for intestinal (vha-6), muscular (unc-54, unc-15) and pan-neuronal (rgef-1, unc-119) expression in the nematode Caenorhabditis elegans. We find that there is not a uniform change in transcriptional profile in aging, but rather a tissue-specific difference in the mRNA levels of these genes. While levels of mRNA in the intestine (vha-6) and muscular (unc-54, unc-15) cells decline with age, pan-neuronal tissue shows more stable mRNA expression (rgef-1, unc-119) which even slightly increases with the age of the animals. Our data on the variations in the mRNA abundance from exemplary cases of endogenous and transgenic gene expression contribute to the emerging evidence for tissue-specific variations in the aging process.
Regulation of transcription factors on sexual dimorphism of fig wasps
Authors: Sun Bao-Fa , Li Yong-Xing , Jia Ling-Yi , Niu Li-Hua , Murphy Robert W. , Zhang Peng , He Shunmin , Huang Da-Wei
Published: June 2015

Fig wasps exhibit extreme intraspecific morphological divergence in the wings, compound eyes, antennae, body color and size. Corresponding to this, behaviors and lifestyles between two sexes are also different: females can emerge from fig and fly to other fig tree to oviposit and pollinate, while males live inside fig for all their lifetime. Genetic regulation may drive these extreme intraspecific morphological and behavioral divergence. Transcription factors (TFs) involved in morphological development and physiological activity may exhibit sex-specific expressions. Herein, we detect 865 TFs by using genomic and transcriptomic data of the fig wasp Ceratosolen solmsi. Analyses of transcriptomic data indicated that up-regulated TFs in females show significant enrichment in development of the wing, eye and antenna in all stages, from larva to adult. Meanwhile, TFs related to the development of a variety of organs display sex-specific patterns of expression in the adults and these may contribute significantly to their sexual dimorphism. In addition, up-regulated TFs in adult males exhibit enrichment in genitalia development and circadian rhythm, which correspond with mating and protandry. This finding is consistent with their sex-specific behaviors. In conclusion, our results strongly indicate that TFs play important roles in the sexual dimorphism of fig wasps.
Constructing three-dimensional (3D) nanocrystalline models of Li4SiO4 for numerical modeling and simulation
Authors: Shen Yanhong , Gao Tao , Tian Xiaofeng , Chen Xiaojun , Xiao ChengJian , Lu Tiecheng
Published: June 2015

The three-dimensional (3D) nanocrystalline models of lithium silicates with the log-normal grain size distribution are constructed by constrained Voronoi tessellation. During evolution process, the algorithm is improved. We proposed a new algorithm idea by combining Genetic Algorithm (GA) with Least Square (LS) method to make up for the disadvantages of traditional genetic algorithm which may be easily trapped in local optimal solution. In the process of modeling, it is the first time, to the best of our knowledge, that we keep the whole sample showing the charge neutrality by deleting the excess atoms on the polyhedron boundary during the modeling. By using the molecular-dynamics method, the relaxation procedure of nanostructured Li4SiO4 is carried out. The results show that the average mass density of the sample is slightly lower than the experimental data of the perfect crystal after relaxation process. In addition, boundary component proportion (BCP) and density reduction proportion (DRP) of the sample is obtained, respectively. The present results display a significantly reduced BCP but an increased DRP when increasing the mean grain size of the sample.
The protective effect of lactoferrin on ventral mesencephalon neurons against MPP+ is not connected with its iron binding ability
Authors: Wang Jun , Bi Mingxia , Liu Huiying , Song Ning , Xie Junxia
Published: June 2015

Lactoferrin (Lf) can bind to lactoferrin receptor (LfR), leading to iron transport through the plasma membrane. Besides iron transportation, Lf also has antioxidant and anti-inflammatory properties. In the brain, Lf is only synthesized by activated microglia. LfR is present in blood vessels and nigral dopaminergic neurons. Both nigral iron accumulation and microglia activation is believed to be involved in Parkinson’s disease (PD), moreover, increased Lf and LfR in dopaminergic neurons were found in PD cases and MPTP-intoxicated mice. How iron influences microglia to release Lf? Does Lf tend to transport iron to dopaminergic neurons leading to cell death or to protect dopaminergic neuron from neurotoxin? In this study, we observed that iron increased Lf synthesis in activated microglia. In ventral mesencephalon neurons, both iron-free Lf (apo-Lf) and iron-saturated Lf (holo-Lf) exerted neuroprotective effects against MPP+ by mechanisms, believed to enhance the mitochondrial transmembrane potential, improve Cu/Zn-superoxide dismutase activity, increase Bcl-2 expression. Although apo-Lf but not holo-Lf chelated cellular iron, there was no difference between the two types of Lf in the neuroprotection. Our data indicate that iron overload increases the activated microglia releasing Lf. Lf plays protective role on ventral mesencephalon neurons against MPP+, which is iron-chelating independent.
Direct growth of freestanding GaN on C-face SiC by HVPE
Authors: Tian Yuan , Shao Yongliang , Wu Yongzhong , Hao Xiaopeng , Zhang Lei , Dai Yuanbin , Huo Qin
Published: June 2015

In this work, high quality GaN crystal was successfully grown on C-face 6H-SiC by HVPE using a two steps growth process. Due to the small interaction stress between the GaN and the SiC substrate, the GaN was self-separated from the SiC substrate even with a small thickness of about 100 μm. Moreover, the SiC substrate was excellent without damage after the whole process so that it can be repeatedly used in the GaN growth. Hot phosphoric acid etching (at 240 °C for 30 min) was employed to identify the polarity of the GaN layer. According to the etching results, the obtained layer was Ga-polar GaN. High-resolution X-ray diffraction (HRXRD) and electron backscatter diffraction (EBSD) were done to characterize the quality of the freestanding GaN. The Raman measurements showed that the freestanding GaN film grown on the C-face 6H-SiC was stress-free. The optical properties of the freestanding GaN layer were determined by photoluminescence (PL) spectra.
Pannexin1 channels dominate ATP release in the cochlea ensuring endocochlear potential and auditory receptor potential generation and hearing
Authors: Chen Jin , Zhu Yan , Liang Chun , Chen Jing , Zhao Hong-Bo
Published: June 2015

Pannexin1 (Panx1) is a gap junction gene in vertebrates whose proteins mainly function as non-junctional channels on the cell surface. Panx1 channels can release ATP under physiological conditions and play critical roles in many physiological and pathological processes. Here, we report that Panx1 deficiency can reduce ATP release and endocochlear potential (EP) generation in the cochlea inducing hearing loss. Panx1 extensively expresses in the cochlea, including the cochlear lateral wall. We found that deletion of Panx1 in the cochlear lateral wall almost abolished ATP release under physiological conditions. Positive EP is a driving force for current through hair cells to produce auditory receptor potential. EP generation requires ATP. In the Panx1 deficient mice, EP and auditory receptor potential as measured by cochlear microphonics (CM) were significantly reduced. However, no apparent hair cell loss was detected. Moreover, defect of connexin hemichannels by deletion of connexin26 (Cx26) and Cx30, which are predominant connexin isoforms in the cochlea, did not reduce ATP release under physiological conditions. These data demonstrate that Panx1 channels dominate ATP release in the cochlea ensuring EP and auditory receptor potential generation and hearing. Panx1 deficiency can reduce ATP release and EP generation causing hearing loss.
Spatial analysis of the effect of the 2010 heat wave on stroke mortality in Nanjing, China
Authors: Chen Kai , Huang Lei , Zhou Lian , Ma Zongwei , Bi Jun , Li Tiantian
Published: June 2015

To examine the spatial variation of stroke mortality risk during heat wave, we collected 418 stroke mortality cases with permanent addresses for a severe heat wave (July 28–August 15, 2010) and 624 cases for the reference period (July 29–August 16, 2009 and July 27–August 14, 2011) in Nanjing, China. Generalized additive models were used to explore the association between location and stroke mortality risk during the heat wave while controlling individual-level risk factors. Heat wave vulnerability was then applied to explain the possible spatial variations of heat-wave-related mortality risk. The overall risk ratio (95% confidence intervals) of stroke mortality due to the heat wave in Nanjing was 1.34 (1.21 to 1.47). Geolocation was found to be significantly associated with the heat-wave-related stroke mortality risk. Using alternative reference periods generated similar results. A district-level risk assessment revealed similar spatial patterns. The highest stroke mortality risk observed in Luhe district was due to the combination of high heat exposure and high vulnerability. Our findings provide evidence that stroke mortality risk is higher in rural areas during heat waves and that these areas require future interventions to reduce vulnerability.
Probing the Effect of Two Heterozygous Mutations in Codon 723 of SLC26A4 on Deafness Phenotype Based on Molecular Dynamics Simulations
Authors: Yao Jun , Qian Xuli , Bao Jingxiao , Wei Qinjun , Lu Yajie , Zheng Heng , Cao Xin , Xing Guangqian
Published: June 2015

A Chinese family was identified with clinical features of enlarged vestibular aqueduct syndrome (EVAS). The mutational analysis showed that the proband (III-2) had EVAS with bilateral sensorineural hearing loss and carried a rare compound heterozygous mutation of SLC26A4 (IVS7-2A>G, c.2167C>G), which was inherited from the same mutant alleles of IVS7-2A>G heterozygous father and c.2167C>G heterozygous mother. Compared with another confirmed pathogenic biallelic mutation in SLC26A4 (IVS7-2A>G, c.2168A>G), these two biallelic mutations shared one common mutant allele and the same codon of the other mutant allele, but led to different changes of amino acid (p.H723D, p.H723R) and both resulted in the deafness phenotype. Structure-modeling indicated that these two mutant alleles changed the shape of pendrin protein encoded by SLC26A4 with increasing randomness in conformation and might impair pendrin’s ability as an anion transporter. The molecular dynamics simulations also revealed that the stability of mutant pendrins was reduced with increased flexibility of backbone atoms, which was consistent with the structure-modeling results. These evidences indicated that codon 723 was a hot-spot region in SLC26A4 with a significant impact on the structure and function of pendrin and acted as one of the genetic factors responsible for the development of hearing loss.
Dietary fiber intake and pancreatic cancer risk: a meta-analysis of epidemiologic studies
Authors: Wang Chun-Hui , Qiao Chong , Wang Ruo-Chen , Zhou Wen-Ping
Published: June 2015

Evidence on the association between dietary fiber intake and pancreatic cancer risk has been controversial. Therefore, we carried out this meta-analysis to summarize available evidence from epidemiologic studies on this point. Relevant studies were identified by searching PubMed, Embase and Web of Science databases as well as by reviewing the rence lists of relevant articles. Random or fixed-effects model was used to calculate the summary risk estimates and 95% confidence intervals (CIs). This meta-analysis included one cohort and thirteen case-control studies which involving a total of 3287 subjects with pancreatic cancer. After summarizing the risk estimates of these studies, we yielded a significant association between dietary fiber intake and pancreatic cancer risk among case-control studies (odds ratio = 0.54; 95%CI = 0.44–0.67; I2 = 41.4%; P = 0.043) but a non-significant result in cohort study (hazard ratio = 1.01; 95%CI = 0.59–1.74). Additionally, significant inverse associations were observed when we carried out the stratify analyses by the study characteristics and adjustment for potential confounders among case-control studies. Given only one cohort study included in the present meta-analysis, further prospective-designed studies should validate our findings and report more detail results, including those for subtypes of fiber, the risk estimates which corrected the impact of measurement errors and fully adjust for the potential confounders.
Identification of beef spoilage via the analysis of volatiles using long optical-path Fourier transform infrared spectroscopy
Authors: Zhang B. , Ye S. , Xiao G. , Dong D.
Published: June 2015

The freshness of beef was analyzed and identified via its volatiles using long optical-path infrared spectroscopy. The spectral characteristics of some compounds, especially ammonia, were observed and demonstrated to have obvious differences between fresh and decayed beef.
Determination of pyrrolidinium ionic liquid cations by ion chromatography-indirect ultraviolet detection with imidazolium ionic liquids as both an ultraviolet absorption reagent and an eluting agent
Authors: Zhang Yu , Yu Hong , Wang Miaoyu
Published: June 2015

Using imidazolium ionic liquids as ultraviolet absorption reagents and eluting agents for the indirect UV detection of pyrrolidinium cations.
Polyactives: controlled and sustained bioactive release via hydrolytic degradation
Authors: Stebbins N. D. , Faig J. J. , Yu W. , Guliyev R. , Uhrich K. E.
Published: June 2015

This review discusses the recent advances in the chemical incorporation of a wide range of bioactives into completely biodegradable and novel polymers.
Mesoporous crystalline–amorphous oxide nanocomposite network for high-performance lithium storage
Authors: Peng Yiting , Chen Zheng , Le Zaiyuan , Xu Qunjie , Li Hexing , Lu Yunfeng
Published: June 2015

Mesoporous crystalline–amorphous oxide nanocomposites with a thin protective coating exhibit high capacity and long cycling life for lithium storage.
A facile one-step synthesis of star-shaped alkynyl carbonates from CO2
Authors: Khoo Rebecca Shu Hui , Lee Agnes Mei Xian , Braunstein Pierre , Hor T. S. Andy , Luo He-Kuan
Published: June 2015

The synthesis of new star-shaped compounds containing three or six pendant carbonates with terminal alkynes at 1 atm CO2 and room temperature.
Enantioselective formation of tertiary and quaternary allylic C–N bonds via allylation of tetrazoles
Authors: Xu Kun , Raimondi Wilfried , Bury Timm , Breit Bernhard
Published: June 2015

Rhodium-catalyzed regio- and enantioselective coupling of tetrazoles with allenes are reported.
Spectral lineshapes in nonlinear electronic spectroscopy
Authors: Nenov Artur , Giussani Angelo , Fingerhut Benjamin P. , Rivalta Ivan , Dumont Elise , Mukamel Shaul , Garavelli Marco
Published: June 2015

An approach for realistic lineshape modeling in nonlinear spectra which couples accurate computations of the high-lying excited states to mixed quantum-classical dynamics simulations is presented and applied to bi-dimensional electronic spectroscopy of pyrene.
Challenging lanthanide relaxation theory: erbium and thulium complexes that show NMR relaxation rates faster than dysprosium and terbium analogues
Authors: Funk Alexander M. , Harvey Peter , Finney Katie-Louise N. A. , Fox Mark A. , Kenwright Alan M. , Rogers Nicola J. , Senanayake P. Kanthi , Parker David
Published: June 2015

The unususal relaxation behaviour of lanthanide complexes in solution exposes the limitations of paramagnetic relaxation theory.
Quantum-trajectory Monte Carlo method for study of electron–crystal interaction in STEM
Authors: Ruan Z. , Zeng R. G. , Ming Y. , Zhang M. , Da B. , Mao S. F. , Ding Z. J.
Published: June 2015

A quantum trajectory Monte Carlo method is developed to simulate electron scattering and secondary electron cascade process in crystalline specimen.
Magnetic criteria of aromaticity
Authors: Gershoni-Poranne Renana , Stanger Amnon
Published: June 2015

A review summarizing recent advances in magnetic criteria for identification and evaluation of aromaticity.
New layered copper 1,3,5-benzenetriphosphonates pillared with N-donor ligands: their synthesis, crystal structures, and adsorption properties
Authors: Kondo Atsushi , Satomi Tokuya , Azuma Kanami , Takeda Rie , Maeda Kazuyuki
Published: June 2015

New layered copper phosphonates with N-donor pillaring ligands were synthesized and their adsorption properties were investigated.
Two novel BODIPY–Ru(ii) arene dyads enabling effective photo-inactivation against cancer cells
Authors: Wang Tianji , Hou Yuanjun , Chen Yongjie , Li Ke , Cheng Xuexin , Zhou Qianxiong , Wang Xuesong
Published: June 2015

Hybrids of an iodized BODIPY chromophore and a Ru(ii) arene complex lead to novel photoactivated anticancer agents with cytotoxicities more than one order of magnitude higher than cisplatin.
Flash-metathesis for the coupling of sustainable (poly)hydroxyl β-methylstyrenes from essential oils
Authors: Hitce J. , Crutizat M. , Bourdon C. , Vivès A. , Marat X. , Dalko-Csiba M.
Published: June 2015

A procedure was developed to expeditely cross-metathetize renewable β-methylstyrenes, used as pure reagents or as components of essential oils.
Lab on a chip for multiplexed immunoassays to detect bladder cancer using multifunctional dielectrophoretic manipulations
Authors: Chuang Cheng-Hsin , Wu Ting-Feng , Chen Cheng-Ho , Chang Kai-Chieh , Ju Jing-Wei , Huang Yao-Wei , Van Nhan Vo
Published: June 2015

A multiplexed immunosensor has been developed for the detection of specific biomarkers Galectin-1 (Gal-1) and Lactate Dehydrogenase B (LDH-B) present in different grades of bladder cancer cell lysates.
Carbon nanotube/S–N–C nanohybrids as high performance bifunctional electrocatalysts for both oxygen reduction and evolution reactions
Authors: Zhu Qing , Lin Ling , Jiang Yi-Fan , Xie Xiao , Yuan Cheng-Zong , Xu An-Wu
Published: June 2015

We report a facile synthesis of metal-free carbon nanotube/S–N–C nanohybrids for both oxygen reduction and evolution reactions.
Copper-catalysed ring-opening trifluoromethylation of cyclopropanols
Authors: He Xia-Ping , Shu Yong-Jin , Dai Jian-Jun , Zhang Wen-Man , Feng Yi-Si , Xu Hua-Jian
Published: June 2015

A copper catalyzed ring-opening trifluoromethylation of cyclopropanols under mild reaction conditions was developed. A wide variety of synthetically useful β-trifluoromethyl ketones were obtained.
Optical properties of ideal γ-Al2O3 and with oxygen point defects: an ab initio study
Authors: Papi H. , Jalali-Asadabadi S. , Nourmohammadi A. , Ahmad Iftikhar , Nematollahi J. , Yazdanmehr M.
Published: June 2015

The optical properties of pure γ-Al2O3 and in the presence of oxygen point defects are investigated by the density functional theory approach using the PBE-GGA and TB-mBJ-GGA schemes.
The coarse-grained model for a water/oil/solid system: based on the correlation of water/air and water/oil contact angles
Authors: Wang Pan , Li Zhen , Ma Yunyun , Sun Xiaoli , Liu Zhibin , Zhang Jun
Published: June 2015

A novel method is provided to build a coarse-grained model for water/oil/solid system.
Graphene dispersion in hydrocarbon medium and its application in lubricant technology
Authors: Ota Jyotiranjan , Hait S. K. , Sastry M. I. S. , Ramakumar S. S. V.
Published: June 2015

The stable dispersion of graphene in formulated lubricating oils reduces the coefficient of friction and significantly improves heat dissipation from the system owing to its higher thermal conductivity.
Core double–shell cobalt/graphene/polystyrene magnetic nanocomposites synthesized by in situ sonochemical polymerization
Authors: Hermán V. , Takacs H. , Duclairoir F. , Renault O. , Tortai J. H. , Viala B.
Published: June 2015

Core double–shell cobalt/graphene//polystyrene nanocomposites (Co/C//PS) were synthesized byin situsonochemical polymerization technique.
Increasing toughness and tensile strength of an epoxy–diamine system using an inorganic ultra-accelerator
Authors: Mirmohseni-Namin Abdolreza , Nikafshar Saeid , Mirmohseni Farid
Published: June 2015

Epoxy resins are a class of thermoset materials with extensive structural and composite applications.
The screening of microalgae mutant strain Scenedesmus sp. Z-4 with a rich lipid content obtained by 60Co γ-ray mutation
Authors: Liu Bingfeng , Ma Chao , Xiao Ruonan , Xing Defeng , Ren Hongyu , Ren Nanqi
Published: June 2015

A microalgae mutant Scenedesmus sp. Z-4 with a lipid content of 28.86% and biomass of 2.876 g/L is obtained using 60Co γ-ray mutation. The lipid productivity and content of mutant Z-4 are greater than that of the wild strain, respectively.
First noscapine glycoconjugates inspired by click chemistry
Authors: Mishra Kunj B. , Mishra Ram C. , Tiwari Vinod K.
Published: June 2015

The first click chemistry-inspired noscapine glycoconjugates have been developed in good to excellent yields to increase the therapeutic efficacy of noscapine.
CYP199A4 catalyses the efficient demethylation and demethenylation of para-substituted benzoic acid derivatives
Authors: Coleman Tom , Chao Rebecca R. , Bruning John B. , De Voss James J. , Bell Stephen G.
Published: June 2015

CYP199A4, a cytochrome P450 enzyme fromRhodopseudomonas palustrisHaA2, is able to efficiently demethylate a range of benzoic acids at thepara-position. It can also catalyse demethenylation reactions.
Deoxygenation of amine N-oxides using gold nanoparticles supported on carbon nanotubes
Authors: Donck Simon , Gravel Edmond , Shah Nimesh , Jawale Dhanaji V. , Doris Eric , Namboothiri Irishi N. N.
Published: June 2015

Carbon nanotube-supported gold nanoparticles were found to be potent catalysts in the mild deoxygenation of amine N-oxides.
High fidelity sorting of remarkably similar components via metal-mediated assembly
Authors: Holloway Lauren R. , Young Michael C. , Beran Gregory J. O. , Hooley Richard J.
Published: June 2015

Subtle differences in coordination angle and rigidity lead to narcissistic self-sorting between highly similar individual components upon metal-mediated assembly.
Poly-(allylamine hydrochloride)-coated but not poly(acrylic acid)-coated upconversion nanoparticles induce autophagy and apoptosis in human blood cancer cells
Authors: Juan Jiaxiang , Cheng Liang , Shi Min , Liu Zhuang , Mao Xinliang
Published: June 2015

Upconversion nanoparticles (UCNPs) have gained increased attention due to their various medical applications such as drug delivery, detection, imaging, and photodynamic therapy.
Radiolanthanide-loaded agglomerated Fe3O4nanoparticles for possible use in the treatment of arthritis: formulation, characterization and evaluation in rats
Authors: Chakraborty Sudipta , Sharma K. S. , Rajeswari A. , Vimalnath K. V. , Sarma H. D. , Pandey Usha , Jagannath Jagannath , Ningthoujam Raghumani Singh , Vatsa Rajesh Kumar , Dash Ashutosh
Published: June 2015

We prepared agglomerated Fe3O4NPs, assessing their use as radiolanthanide carriers (potential therapeutic agents).
A low toxic synthetic dendrimer conjugated podophyllotoxin nanodevice with potent antitumor activity against the DMBA/TPA induced mouse skin carcinogenesis model
Authors: Sk Ugir Hossain , Patial Vikram , Sharma Supriya
Published: June 2015

D-PODO in tumor-bearing mice revealed a 50%–60% inhibition of skin tumor formation and reduced toxicity compared to PODO.
Strategy for aesthetic photography recommendation via collaborative composition model
Authors: Zhang Yanhao , Huang Qingming , Qin Lei , Zhao Sicheng , Lu Xiusheng , Sun Xiaoshuai , Yao Hongxun
Published: June 2015

In this study, the authors propose a collaborative composition model for automatically recommending suitable positions and poses in the scene of photography taken by amateurs. By analysing aesthetic‐aware features, the authors' strategy jointly takes attention and geometry composition into account to learn the aesthetic manifestation knowledge of professional photographers. Firstly, aesthetic composition representation exploits the strength of visual saliency to explicitly encode the spatial correlation of the professional photos. Secondly, ℓ2 regularised least square is adopted to constrain the representation coefficients, which provides a fast solution in selecting aesthetic candidates collaboratively. In addition, a novel confidence measure scheme is further designed based on reconstruction errors and the reference photos are updated adaptively according to the composition rules. Both qualitative and quantitative evaluations show that the model performs well for the portrait photographing recommendation.
Worldwide photovoltaic energy yield sensitivity from a variety of input losses
Authors: Ransome Steve
Published: June 2015

The energy yield of a system depends largely on how the photovoltaic (PV) panels perform at different weather conditions (particularly plane of array irradiance and module temperature) summed over the hourly meteorological data for a year at the given site. Some of the PV performance parameters such as ‘efficiency at low light/efficiency at standard conditions’ and the ‘PMAX thermal coefficient’ can vary between technologies and may be able to be improved by better production methods (for example, improving uniformity, reducing shunts, reducing series resistance or improving the thermal design). The sensitivity of energy yield (kilowatt hour/year) against PV input value will be site dependent, for example, high insolation sites will usually experience higher module temperatures so that improvements in temperature coefficients would be more beneficial at higher than at lower insolation. This study studies the effect of the sensitivity of energy yield at five different sites (from northern Europe to desert) of six different PV input values (including low‐light efficiency, PMAX temperature coefficient and nominal operating cell temperature). It quantifies the benefits at each site of good temperature coefficients or improving the low‐light efficiency and also the need for wide VMP inverter ranges at sites with wide seasonal temperature differences.
Measurements of the near-nucleus coma of comet 67P/Churyumov-Gerasimenko with the Alice far-ultraviolet spectrograph on Rosetta
Authors: Feldman Paul D. , A’Hearn Michael F. , Bertaux Jean-Loup , Feaga Lori M. , Parker Joel Wm. , Schindhelm Rebecca , Steffl Andrew J. , Alan Stern S. , Weaver Harold A. , Sierks Holger , Vincent Jean-Baptiste
Published: June 2015

Aims. The Alice far-ultraviolet spectrograph onboard Rosetta is designed to observe emissions from various atomic and molecular species from within the coma of comet 67P/ Churyumov-Gerasimenko and to determine their spatial distribution and evolution with time and heliocentric distance.

Methods. Following orbit insertion in August 2014, Alice made observations of the inner coma above the limbs of the nucleus of the comet from cometocentric distances varying between 10 and 80 km. Depending on the position and orientation of the slit relative to the nucleus, emissions of atomic hydrogen and oxygen were initially detected. These emissions are spatially localized close to the nucleus and spatially variable with a strong enhancement above the comet’s neck at northern latitudes. Weaker emission from atomic carbon and CO were subsequently detected.

Results. Analysis of the relative line intensities suggests photoelectron impact dissociation of H2O vapor as the source of the observed H i and O i emissions. The electrons are produced by photoionization of H2O. The observed C i emissions are also attributed to electron impact dissociation, of CO2, and their relative brightness to H i reflects the variation of CO2 to H2O column abundance in the coma.
Biomolecular ion detection using high-temperature superconducting MgB2 strips
Authors: Zen N. , Shibata H. , Mawatari Y. , Koike M. , Ohkubo M.
Published: June 2015

Superconducting strip ion detectors (SSIDs) are promising for realization of ideal ion detection with 100% efficiency and nanosecond-scale time response in time-of-flight mass spectrometry. We have detected single biomolecular ions in the keV range using a 10-nm-thick and 250-nm-wide strip of a high temperature superconductor, magnesium diboride (MgB2), at temperatures of up to 13 K. The output pulse shape is explained remarkably well using circuit simulations and time-dependent Ginzburg-Landau simulations coupled with a heat diffusion equation. The simulations show that the hot spot model is applicable to the proposed MgB2-SSIDs and the normal region expansion is completed within 16 ps, which corresponds to a maximum length of 1010 nm.
Composite nonlinear structure within the magnetosonic soliton interactions in a spin-1/2 degenerate quantum plasma
Authors: Han Jiu-Ning , Luo Jun-Hua , Li Sheng-Chang , Liu Shi-Wei , Yang Yang , Duan Wen-Shan , Han Juan-Fang , Li Jun-Xiu
Published: June 2015

We study the basic physical properties of composite nonlinear structure induced by the head-on collision of magnetosonic solitons. Solitary waves are assumed to propagate in a quantum electron-ion magnetoplasma with spin-1/2 degenerate electrons. The main interest of the present work is to investigate the time evolution of the merged composite structure during a specific time interval of the wave interaction process. We consider three cases of colliding-situation, namely, compressive-rarefactive solitons interaction, compressive-compressive solitons interaction, and rarefactive-rarefactive solitons interaction, respectively. Compared with the last two colliding cases, the changing process of the composite structure is more complex for the first situation. Moreover, it is found that they are obviously different for the last two colliding cases.
Spin filter and spin valve in ferromagnetic graphene
Authors: Song Yu , Dai Gang
Published: June 2015

We propose and demonstrate that a EuO-induced and top-gated graphene ferromagnetic junction can be simultaneously operated as a spin filter and a spin valve. We attribute such a remarkable result to a coexistence of a half-metal band and a common energy gap for opposite spins in ferromagnetic graphene. We show that both the spin filter and the spin valve can be effectively controlled by a back gate voltage, and they survive for practical metal contacts and finite temperature. Specifically, larger single spin currents and on-state currents can be reached with contacts with work functions similar to graphene, and the spin filter can operate at higher temperature than the spin valve.
Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm−1 and new assignments of bands 2ν9 and ν5
Authors: Huang Yu-Hsuan , Li Jun , Guo Hua , Lee Yuan-Pern
Published: June 2015

The simplest Criegee intermediate CH2OO is important in atmospheric chemistry. It has been detected in the reaction of CH2I + O2 with various spectral methods, including infrared spectroscopy; infrared absorption of CH2OO was recorded at resolution 1.0 cm−1 in our laboratory. We have improved our system and recorded the infrared spectrum of CH2OO at resolution 0.25 cm−1 with rotational structures partially resolved. Observed vibrational wavenumbers and relative intensities are improved from those of the previous report and agree well with those predicted with quantum-mechanical calculations using the MULTIMODE method on an accurate potential energy surface. Observed rotational structures also agree with the simulated spectra according to theoretical predictions. In addition to derivation of critical vibrational and rotational parameters of the vibrationally excited states to confirm the assignments, the spectrum with improved resolution provides new assignments for bands 2ν9 at 1234.2 cm−1 and ν5 at 1213.3 cm−1; some hot bands and combination bands are also tentatively assigned.
Lithographically fabricated silicon microreactor for in situ characterization of heterogeneous catalysts—Enabling correlative characterization techniques
Authors: Baier S. , Rochet A. , Hofmann G. , Kraut M. , Grunwaldt J.-D.
Published: June 2015

We report on a new modular setup on a silicon-based microreactor designed for correlative spectroscopic, scattering, and analytic on-line gas investigations for in situ studies of heterogeneous catalysts. The silicon microreactor allows a combination of synchrotron radiation based techniques (e.g., X-ray diffraction and X-ray absorption spectroscopy) as well as infrared thermography and Raman spectroscopy. Catalytic performance can be determined simultaneously by on-line product analysis using mass spectrometry. We present the design of the reactor, the experimental setup, and as a first example for an in situ study, the catalytic partial oxidation of methane showing the applicability of this reactor for in situ studies.
Electrokinetic instability of liquid micro- and nanofilms with a mobile charge
Authors: Ganchenko G. S. , Demekhin E. A. , Mayur M. , Amiroudine S.
Published: June 2015

The instability of ultra-thin films of an electrolyte bordering a dielectric gas in an external tangential electric field is scrutinized. The solid wall is assumed to be either a conducting or charged dielectric surface. The problem has a steady one-dimensional solution. The theoretical results for a plug-like velocity profile are successfully compared with available experimental data. The linear stability of the steady-state flow is investigated analytically and numerically. Asymptotic long-wave expansion has a triple-zero singularity for a dielectric wall and a quadruple-zero singularity for a conducting wall, and four (for a conducting wall) or three (for a charged dielectric wall) different eigenfunctions. For infinitely small wave numbers, these eigenfunctions have a clear physical meaning: perturbations of the film thickness, of the surface charge, of the bulk conductivity, and of the bulk charge. The numerical analysis provides an important result: the appearance of a strong short-wave instability. At increasing Debye numbers, the short-wave instability region becomes isolated and eventually disappears. For infinitely large Weber numbers, the long-wave instability disappears, while the short-wave instability persists. The linear stability analysis is complemented by a nonlinear direct numerical simulation. The perturbations evolve into coherent structures; for a relatively small external electric field, these are large-amplitude surface solitary pulses, while for a sufficiently strong electric field, these are short-wave inner coherent structures, which do not disturb the surface.
Enhancing secondary yield of a diamond amplifier using a nitrogen layer
Authors: Jensen Kevin L. , Shaw Jonathan L. , Yater Joan E. , Pate Bradford B.
Published: June 2015

A thin nitrogen-doped layer less than 4% of the total thickness in diamond thin film amplifier is shown to reduce losses of generated secondaries to the back contact, generated by a high energy primary electron beam compared to a thin film without the substitutional nitrogen layer modification. Simulation indicates that the losses due to absorption of diffusing electrons by the back contact may be considerably reduced by a factor of 2 (depending on field across the film, width of the nitrogen layer, and boron doping level), thereby mitigating undesirable effects associated with trace amounts of boron.
Prediction of core level binding energies in density functional theory: Rigorous definition of initial and final state contributions and implications on the physical meaning of Kohn-Sham energies
Authors: Pueyo Bellafont Noèlia , Bagus Paul S. , Illas Francesc
Published: June 2015

A systematic study of the N(1s) core level binding energies (BE’s) in a broad series of molecules is presented employing Hartree-Fock (HF) and the B3LYP, PBE0, and LC-BPBE density functional theory (DFT) based methods with a near HF basis set. The results show that all these methods give reasonably accurate BE’s with B3LYP being slightly better than HF but with both PBE0 and LCBPBE being poorer than HF. A rigorous and general decomposition of core level binding energy values into initial and final state contributions to the BE’s is proposed that can be used within either HF or DFT methods. The results show that Koopmans’ theorem does not hold for the Kohn-Sham eigenvalues. Consequently, Kohn-Sham orbital energies of core orbitals do not provide estimates of the initial state contribution to core level BE’s; hence, they cannot be used to decompose initial and final state contributions to BE’s. However, when the initial state contribution to DFT BE’s is properly defined, the decompositions of initial and final state contributions given by DFT, with several different functionals, are very similar to those obtained with HF. Furthermore, it is shown that the differences of Kohn-Sham orbital energies taken with respect to a common reference do follow the trend of the properly calculated initial state contributions. These conclusions are especially important for condensed phase systems where our results validate the use of band structure calculations to determine initial state contributions to BE shifts.
Study of perpendicular anisotropy L1-FePt pseudo spin valves using a micromagnetic trilayer model
Authors: Ho Pin , Evans Richard F. L. , Chantrell Roy W. , Han Guchang , Chow Gan-Moog , Chen Jingsheng
Published: June 2015

A trilayer micromagnetic model based on the Landau-Lifshitz-Bloch equation of motion is utilized to study the properties of L10-FePt/TiN/L10-FePt pseudo spin valves (PSVs) in direct comparison with experiment. Theoretical studies give an insight on the crystallographic texture, magnetic properties, reversal behavior, interlayer coupling effects, and magneto-transport properties of the PSVs, in particular, with varying thickness of the top L10-FePt and TiN spacer. We show that morphological changes in the FePt layers, induced by varying the FePt layer thickness, lead to different hysteresis behaviors of the samples, caused by changes in the interlayer and intralayer exchange couplings. Such effects are important for the optimization of the PSVs due to the relationship between the magnetic properties, domain structures, and the magnetoresistance of the device.
Thermally excited fluid flow in a microsized liquid crystal channel with a free surface
Authors: Zakharov A. V. , Vakulenko A. A.
Published: June 2015

The temperature-induced reorientation dynamics in microsized liquid crystal (LC) channel with a free LC/vacuum interface has been investigated theoretically based on the hydrodynamic theory including the director motion, the thermally excited fluid flow v, and the temperature T redistribution, produced by induced heating in the interior of the LC sample. Analysis of the numerical results shows that due to interaction between ∇T and the gradient of the director field ∇nˆ in the LC channel bounded by the free LC/vacuum interface, a thermally excited vortical fluid flow is maintained in the vicinity of the heat source. Calculations also show that in the case of the fast heating, the LC sample settles down to three-vortical flow regime, whereas in the case of the slow heating, the LC material settles down to bi-vortical flow regime. As for nematogenic material, we have considered the LC channel to be occupied by 4-n-pentyl-4′-cyanobiphenyl and investigated the effect of both ∇nˆ and ∇T on the magnitude and direction of v, as well as on the height of the LC film on the solid surface, for a number of heating and hydrodynamic regimes.
Oscillator strengths, first-order properties, and nuclear gradients for local ADC(2)
Authors: Schütz Martin
Published: June 2015

We describe theory and implementation of oscillator strengths, orbital-relaxed first-order properties, and nuclear gradients for the local algebraic diagrammatic construction scheme through second order. The formalism is derived via time-dependent linear response theory based on a second-order unitary coupled cluster model. The implementation presented here is a modification of our previously developed algorithms for Laplace transform based local time-dependent coupled cluster linear response (CC2LR); the local approximations thus are state specific and adaptive. The symmetry of the Jacobian leads to considerable simplifications relative to the local CC2LR method; as a result, a gradient evaluation is about four times less expensive. Test calculations show that in geometry optimizations, usually very similar geometries are obtained as with the local CC2LR method (provided that a second-order method is applicable). As an exemplary application, we performed geometry optimizations on the low-lying singlet states of chlorophyllide a.
On the symmetry of proper orthogonal decomposition modes of a low-aspect-ratio plate
Authors: Liang Zongxian , Dong Haibo
Published: June 2015

In this paper, the symmetry property and corresponding virtual force contribution of the proper orthogonal decomposition (POD) modes are numerically investigated for the low-Reynolds number flows passing over a low-aspect-ratio pitching-plunging plate. It is found that the flow and its POD modes have the same reflectional symmetry about the spanwise central plane. However, about the crossflow central plane, the spatio-temporal flow symmetry results in a change of symmetry pattern every two POD modes, which corresponds to odd or even multiples of the vortex shedding frequency. Based on a wake survey method for virtual forces, the POD modes are further classified into two groups, thrust- and lift-producing modes, respectively. Results have also shown that the distinct symmetry properties of these modes can be used to identify the correlation between the wake structure and the hydrodynamic force production.
Spontaneous formation of suboxidic coordination around Co in ferromagnetic rutile Ti0.95Co0.05O2 film
Authors: Hu Wen , Hayashi Kouichi , Fukumura Tomoteru , Akagi Kazuto , Tsukada Masaru , Happo Naohisa , Hosokawa Shinya , Ohwada Kenji , Takahasi Masamitu , Suzuki Motohiro , Kawasaki Masashi
Published: June 2015

To evaluate local atomic structures around Co in high temperature diluted ferromagnetic semiconductor Co-doped TiO2, x-ray fluorescence holography and x-ray absorption fine structure experiments were carried out on rutile paramagnetic Ti0.99Co0.01O2 and ferromagnetic Ti0.95Co0.05O2 films. The Co atoms in the Ti0.99Co0.01O2 simply substituted for Ti sites in the rutile structure, whereas a suboxidic arrangement of CoO2Ti4 formed around Co in the Ti0.95Co0.05O2 films. A theoretical investigation based on a series of first-principles calculations indicated the stability of the aggregated suboxidic clusters in the rutile TiO2, supporting our hypothesis for the formation of suboxidic coordination in the highly Co-doped sample. The suboxidic coordination may be the source of strong exchange interaction, resulting in the high Curie temperature in Co-doped TiO2.
Influence of parameters of molecular mobility on formation of structure in ferroelectric vinylidene fluoride copolymers
Authors: Kochervinskii Valentin , Malyshkina Inna , Pavlov Alexey , Bessonova Natalia , Korlyukov Alexander , Volkov Vladimir , Kozlova Nina , Shmakova Nina
Published: June 2015

The low-temperature molecular mobility has been studied by dielectric relaxation spectroscopy on the bulk films of statistic copolymers of vinylidene fluoride (VDF) with tetra- (TFE) and trifluoroethylene obtained by crystallization from a solution in acetone. The results show that activation energy of the kinetic units in the glassy state depends significantly on the concentration of polar groups. The cooperative mobility above the glass transition temperature is described by Vogel-Tamman-Fulcher equation; the lowest value of the effective activation energy was found in the copolymer with highest amount of non-polar TFE content. It has been shown that the parameters of the dynamics are related to the structural parameters obtained by infrared spectroscopy, wide-angle X-ray Spectroscopy, and small-angle X-ray scattering. In particular, the largest crystals and the highest value of the “large” period have been detected in VDF/TFE copolymer with lowest activation parameters of microbrownian and local mobility. Number of lamellar crystals in stacks is determined by the concentration of VDF polar groups in copolymer chain.