bluuebunny/crossref_metadata_2025 huggingface dataset:
Oceanographic structure drives the assembly processes of microbial eukaryotic communities
Authors: Monier Adam , Comte Jérôme , Babin Marcel , Forest Alexandre , Matsuoka Atsushi , Lovejoy Connie
Published: October 2014

Arctic Ocean microbial eukaryote phytoplankton form subsurface chlorophyll maximum (SCM), where much of the annual summer production occurs. This SCM is particularly persistent in the Western Arctic Ocean, which is strongly salinity stratified. The recent loss of multiyear sea ice and increased particulate-rich river discharge in the Arctic Ocean results in a greater volume of fresher water that may displace nutrient-rich saltier waters to deeper depths and decrease light penetration in areas affected by river discharge. Here, we surveyed microbial eukaryotic assemblages in the surface waters, and within and below the SCM. In most samples, we detected the pronounced SCM that usually occurs at the interface of the upper mixed layer and Pacific Summer Water (PSW). Poorly developed SCM was seen under two conditions, one above PSW and associated with a downwelling eddy, and the second in a region influenced by the Mackenzie River plume. Four phylogenetically distinct communities were identified: surface, pronounced SCM, weak SCM and a deeper community just below the SCM. Distance–decay relationships and phylogenetic structure suggested distinct ecological processes operating within these communities. In the pronounced SCM, picophytoplanktons were prevalent and community assembly was attributed to water mass history. In contrast, environmental filtering impacted the composition of the weak SCM communities, where heterotrophic Picozoa were more numerous. These results imply that displacement of Pacific waters to greater depth and increased terrigenous input may act as a control on SCM development and result in lower net summer primary production with a more heterotroph dominated eukaryotic microbial community.
A Novel Algorithm for the Precise Calculation of the Maximal Information Coefficient
Authors: Zhang Yi , Jia Shili , Huang Haiyun , Qiu Jiqing , Zhou Changjie
Published: October 2014

Measuring associations is an important scientific task. A novel measurement method maximal information coefficient (MIC) was proposed to identify a broad class of associations. As foreseen by its authors, MIC implementation algorithm ApproxMaxMI is not always convergent to real MIC values. An algorithm called SG (Simulated annealing and Genetic) was developed to facilitate the optimal calculation of MIC and the convergence of SG was proved based on Markov theory. When run on fruit fly data set including 1,000,000 pairs of gene expression profiles, the mean squared difference between SG and the exhaustive algorithm is 0.00075499, compared with 0.1834 in the case of ApproxMaxMI. The software SGMIC and its manual are freely available at http://lxy.depart.hebust.edu.cn/SGMIC/SGMIC.htm.
Cooperative adsorption behavior of phosphopeptides on TiO2 leads to biased enrichment, detection and quantification
Authors: Eriksson A. I. K. , Edwards K. , Agmo Hernández V.
Published: October 2014

Novel data show that anomalous adsorption behavior and common washing procedures can lead to biased results in TiO2-based phosphoproteomics.
Post-assembly transformations of porphyrin-containing metal–organic framework (MOF) films fabricated via automated layer-by-layer coordination
Authors: So Monica C. , Beyzavi M. Hassan , Sawhney Rohan , Shekhah Osama , Eddaoudi Mohamed , Al-Juaid Salih S. , Hupp Joseph T. , Farha Omar K.
Published: October 2014

Solvent-assisted linker exchange and post-assembly linker metalation converts existing metal–organic framework (MOF) thin films into new or modified ones.
Biomimetic transparent and superhydrophobic coatings: from nature and beyond nature
Authors: Yu Shen , Guo Zhiguang , Liu Weimin
Published: October 2014

This review focuses on various promising materials used in fabricating superhydrophobic and transparent surfaces in recent decades.
Growth, thermal, and spectroscopic properties of a 2.911 μm Yb,Ho:GdYTaO4 laser crystal
Authors: Dou Renqin , Zhang Qingli , Sun Dunlu , Luo Jianqiao , Yang Huajun , Liu Wenpeng , Sun Guihua
Published: October 2014

A promising 2.911 μm Yb,Ho:GdYTaO4 laser crystal was grown successfully by the Czochralski method for the first time.
Facile synthesis and visible photocatalytic activity of single-crystal TiO2/PbTiO3 heterostructured nanofiber composites
Authors: Yu Yifeng , Ren Zhaohui , Li Ming , Gong Siyu , Yin Simin , Jiang Shan , Li Xiang , Wei Xiao , Xu Gang , Shen Ge , Han Gaorong
Published: October 2014

For single-crystal TiO2/PbTiO3 nanofiber composites, anatase TiO2 nanorods grew on the surface of tetragonal perovskite (TP) PbTiO3 nanofibers to form TiO2/PbTiO3 heterostructures.
Model-potential-free analysis of small angle scattering of proteins in solution: insights into solvent effects on protein–protein interaction
Authors: Sumi Tomonari , Imamura Hiroshi , Morita Takeshi , Isogai Yasuhiro , Nishikawa Keiko
Published: October 2014

The model-potential-free method advances the analysis of small-angle scattering for protein solutions and provides new insights into protein–protein interactions.
Controllable synthesis and SERS characteristics of hollow sea-urchin gold nanoparticles
Authors: Li Junpeng , Zhou Jun , Jiang Tao , Wang Binbing , Gu Min , Petti Lucia , Mormile Pasquale
Published: October 2014

Hollow sea-urchin gold nanoparticles with distinctive optical properties were prepared through a one-step galvanic replacement strategy.
From structure to function via complex supramolecular dendrimer systems
Authors: Sun Hao-Jan , Zhang Shaodong , Percec Virgil
Published: October 2014

Self-assembly of quasi-equivalent amphiphilic dendrons into secondary and tertiary structures and their self-organization into periodic arrays.
The solution chemistry and reactivity of lacunary Keggin silicotungstates monitored in real-time by a combination of mass spectrometry and electrochemistry
Authors: Jia Qiaodi , Cao Jie , Duan Yunpeng , Hu Changwen
Published: October 2014

The relationship between the lacunary Keggin silicotungstate precursors and their vanadium-substituted products.
Biomolecule-mediated CdS-TiO2-reduced graphene oxide ternary nanocomposites for efficient visible light-driven photocatalysis
Authors: Dutta Soumen , Sahoo Ramakrishna , Ray Chaiti , Sarkar Sougata , Jana Jayasmita , Negishi Yuichi , Pal Tarasankar
Published: October 2014

Charge recombination in yellow CdS has been overcome by rGO and interfacial TiO2 to show maximum visible-light-driven photocatalytic activity.
Emerging pollutants in the Esmeraldas watershed in Ecuador: discharge and attenuation of emerging organic pollutants along the San Pedro–Guayllabamba–Esmeraldas rivers
Authors: Voloshenko-Rossin A. , Gasser G. , Cohen K. , Gun J. , Cumbal-Flores L. , Parra-Morales W. , Sarabia F. , Ojeda F. , Lev O.
Published: October 2014

Carbamazepine and acesulfame were conserved along the 250 km flow in the San-Pedro–Guayllabamba–Esmeraldas River in Ecuador, whereas the cocainoids level increased.
Quercetin 7-O-glucoside suppresses nitrite-induced formation of dinitrosocatechins and their quinones in catechin/nitrite systems under stomach simulating conditions
Authors: Morina Filis , Takahama Umeo , Yamauchi Ryo , Hirota Sachiko , Veljovic-Jovanovic Sonja
Published: October 2014

Catechins in foods can be transformed into dinitrosocatechins and the quinones by salivary nitrite in the stomach, and the transformation can be suppressed by flavonols including quercetin and its 7-O-glucoside.
Synthesis, structure–activity relationship, and mechanistic investigation of lithocholic acidamphiphiles for colon cancer therapy
Authors: Singh Manish , Bansal Sandhya , Kundu Somanath , Bhargava Priyanshu , Singh Ashima , Motiani Rajender K. , Shyam Radhey , Sreekanth Vedagopuram , Sengupta Sagar , Bajaj Avinash
Published: October 2014

We report the enhanced anticancer activities of lithocholic acid amphiphiles possessing different charged head group for colon cancer therapy.
Porous carbon nitride nanosheets for enhanced photocatalytic activities
Authors: Hong Jindui , Yin Shengming , Pan Yunxiang , Han Jianyu , Zhou Tianhua , Xu Rong
Published: October 2014

Porous carbon nitride nanosheets (PCNs) have been prepared for the first time by a simple liquid exfoliation method via probe sonication, which showing enhanced photocatalytic activities toward dye degradation and H2 evolution.
Strained olefin enables triflic anhydride mediated direct dehydrative glycosylation
Authors: Chen Guohua , Yin Qiang , Yin Jian , Gu Xiangying , Liu Xiao , You Qidong , Chen Yue-Lei , Xiong Bing , Shen Jingkang
Published: October 2014

Tf2O mediated dehydrative glycosylation was enabled by strained olefins, including beta-(−)-pinene, and inhibited by other typical bases.
Mixed non-covalent assemblies of ethynyl nile red and ethynyl pyrene along oligonucleotide templates
Authors: Ensslen Philipp , Fritz Yannic , Wagenknecht Hans-Achim
Published: October 2014

The mixture makes the difference: the assemblies of ethynyl pyrene and ethynyl nile red along oligonucleotide templates are highly ordered and yield dual fluorescence.
Supramolecular polymers synthesized by thiol–ene click polymerization from supramonomers
Authors: Song Qiao , Li Fei , Yang Liulin , Wang Zhiqiang , Zhang Xi
Published: October 2014

This communication describes supramolecular polymers fabricated by thiol–ene click polymerization from supramonomers.
Post-blast explosive residue – a review of formation and dispersion theories and experimental research
Authors: Abdul-Karim N. , Blackman C. S. , Gill P. P. , Wingstedt E. M. M. , Reif B. A. P.
Published: October 2014

Review of theoretical and experimental research relating to the formation and distribution of post-blast explosive residues.
α-MoO3 nanoparticles: solution combustion synthesis, photocatalytic and electrochemical properties
Authors: Nagabhushana G. P. , Samrat D. , Chandrappa G. T.
Published: October 2014

Nanoparticles of ultra-porous MoO3 were synthesized in a single step by a solution combustion reaction using molybdenum metal powder for the first time as a precursor.
Surfactant-induced chirality on reluctant aggregates of a chiral amphiphilic cationic (l)-proline–Zn(ii)porphyrin conjugate in water
Authors: Simoncini Edoardo , Caroleo Fabrizio , Ceccacci Francesca , Mancini Giovanna , Stefanelli Manuela , Paolesse Roberto , Lettieri Raffaella , Venanzi Mariano , Monti Donato
Published: October 2014

The aggregation of an amphiphilic chiral Zn(ii)porphyrin derivative occurs in aqueous solutions of chiral surfactants with highly specific molecular recognition.
Investigation of ultrafast excited state dynamics of 2,2′,4,4′,6,6′-hexanitrostilbene using femtosecond transient absorption spectroscopy
Authors: Chu Genbai , Shui Min , Xiong Ying , Yi Jing , Cheng Kemei , Xu Tao , Xin Jianting , Gu Yuqiu
Published: October 2014

A study on the dynamics and structures of the excited states of 2,2′,4,4′,6,6′-hexanitrostilbene shows equilibrium between vibrationally hot S1 (S*1) and S1 states with lifetimes of 0.8 and 6 ps, respectively.
Interstitial hydrogen in Laves phases – local electronic structure modifications from first-principles
Authors: Radaković Jana , Batalović Katarina , Mađarević Ivan , Belošević-Čavor Jelena
Published: October 2014

Understanding the microscopic aspect of the hydride formation process provides an insight into the experimentally observed properties of prospective hydrogen storage materials.
Highly luminescent lanthanide fluoride nanoparticles functionalized by aromatic carboxylate acids
Authors: Li Suwen , Li Xuejiao , Jiang Yi , Hou Zhiyao , Cheng Ziyong , Ma Pingan , Li Chunxia , Lin Jun
Published: October 2014

The photoluminescent spectra of LaF3:8% Tb3+, SA-LaF3:8% Tb3+ and SSA-LaF3:8% Tb3+ nanoparticles, and the photographs in water (SSA-LaF3:8% Tb3+) and as powder (SA-LaF3:8% Tb3+) under 254 nm excitation, respectively.
Electrochemical treatment of evaporated residue of reverse osmosis concentrate generated from the leather industry
Authors: Boopathy R. , Mandal A. B. , Sekaran G.
Published: October 2014

Proposed scheme for the separation of sodium chloride, calcium sulphate and removal of organic pollutants from ER.
Blue light emitting gold nanoparticles functionalized with non-thiolate thermosensitive polymer ligand: optical properties, assemblies and application
Authors: Liu Bingxin , Wang Yue , Deng Mingxiao , Lü Jianhua , Tong Cuiyan , Lü Changli
Published: October 2014

The thermosensitive copolymer ligand was employed as scaffold to construct the blue light emitting gold nanoparticles. These nanoparticles show interesting assemblies, aggregation-induced emission enhancement and selective sensing for Hg2+.
Complete degradation of dimethyl phthalate by biochemical cooperation of the Bacillus thuringiensis strain isolated from cotton field soil
Authors: Surhio Muhammad Ali , Talpur Farah N. , Nizamani Shafi M. , Amin Farah , Bong Chui Wei , Lee Choon Weng , Ashraf M. A. , Shah Muhammad Raza
Published: October 2014

We have reported a highly efficient dimethyl phthalate (DMP) degrading bacteria,Bacillus thuringiensis, which mineralize 99% of 400 mg L−1DMP. Various experimental variables and intermediates were investigated with proposed biodegradation pathway.
Tribological properties of castor oil tris(diphenyl phosphate) as a high-performance antiwear additive in lubricating greases for steel/steel contacts at elevated temperature
Authors: Wu Xinhu , Zhao Qin , Zhang Ming , Li Weimin , Zhao Gaiqing , Wang Xiaobo
Published: October 2014

Castor oil tris(diphenyl phosphate) (CODP) was synthesized using an environmentally friendly resource – castor oil (CO), and its tribological properties were evaluated in lubricating greases at 150 °C.
Ligand-stabilized CdSe nanoplatelet hybrid structures with tailored geometric and electronic properties. New insights from theory
Authors: Szemjonov A. , Pauporté T. , Ithurria S. , Lequeux N. , Dubertret B. , Ciofini I. , Labat F.
Published: October 2014

A theoretical protocol for the investigation of the properties of CdSe zinc blende nanoplatelets with different thicknesses in the (100) direction and stabilized by various ligands is proposed and validated with respect to experimental data.
Effect of selective oxidation of bacterial cellulose on degradability in phosphate buffer solution and their affinity for epidermal cell attachment
Authors: Shi Xiangning , Cui Qiuyan , Zheng Yudong , Peng Shuai , Wang Guojie , Xie Yajie
Published: October 2014

Oxidized bacterial cellulose showed the 3D nano-fibrils structure of BC. The mass loss and degradation rate of OBC were much higher than those of BC. When immersed in PBS, OBC degraded gradually. Cell-adhesion and proliferation studies revealed that OBC had excellent cellular affinity.
Development of regioselective deacylation of peracetylated β-d-monosaccharides using lipase from Pseudomonas stutzeri under sustainable conditions
Authors: Sandoval M. , Hoyos P. , Cortés A. , Bavaro T. , Terreni M. , Hernáiz M. J.
Published: October 2014

An efficient deacylation of peracetylated pyranosides has been developed in different biosolvents, catalyzed by Pseudomonas stutzeri lipase, which displayed regiospecific activity towards the anomeric position.
Effect of sulphidation temperature on the performance of NiO–MoO3/γ-Al2O3 catalysts for sulphur-resistant methanation
Authors: Wang Baowei , Hu Zongyuan , Liu Sihan , Jiang Minhong , Yao Yuqin , Li Zhenhua , Ma Xinbin
Published: October 2014

Sulphidation temperature has a pronounced influence on both textural and structural properties of NiO–MoO3/γ-Al2O3 catalysts for sulphur-resistant methanation.
Theoretical calculation based synthesis of a poly(p-phenylenediamine)–Fe3O4composite: a magnetically recyclable photocatalyst with high selectivity for acid dyes
Authors: Yang Siwei , Ye Caichao , Song Xun , He Lin , Liao Fang
Published: October 2014

A magnetically recyclable and highly photocatalytic poly(p-phenylenediamine)–Fe3O4(PpPD–Fe3O4) composite photocatalyst was synthesised by a one-step chemical oxidation polymerisation based on theoretical calculation results.
Nanostructured films by the self-assembly of bioactive copolymer
Authors: Sinitsyna O. V. , Davydova N. K. , Sergeev V. N. , Laukhina E. E.
Published: October 2014

We have developed a method via a simple dewetting process that permits the control over cavity formation on the surfaces of thin films based on a bioactive copolymer, which is able to trap DNA.
Dual application of Pd nanoparticles supported on mesoporous silica SBA-15 and MSU-2: supported catalysts for C–C coupling reactions and cytotoxic agents against human cancer cell lines
Authors: Balbín Adriana , Gaballo Francesco , Ceballos-Torres Jesús , Prashar Sanjiv , Fajardo Mariano , Kaluđerović Goran N. , Gómez-Ruiz Santiago
Published: October 2014

Pd nanoparticles have been supported onto SBA-15 and MSU-2 and present interesting catalytic and cytotoxic properties.
Dithieno[2,3-d;2′,3′-d′]benzo[1,2-b;4,5-b′]dithiophene based organic sensitizers for dye-sensitized solar cells
Authors: Guo Xin , Tsao Hoi Nok , Gao Peng , Xia Debin , An Cunbin , Nazeeruddin Mohammad Khaja , Baumgarten Martin , Grätzel Michael , Müllen Klaus
Published: October 2014

We report two novel D–π–A type organic dyes with a coplanar dithieno[2,3-d;2′,3′-d′]benzo[1,2-b;4,5-b′]dithiophene (DTBDT) as π-spacer for dye-sensitized solar cells.
Molecular interactions of ethylcellulose with sucrose particles
Authors: Stortz Terri A. , De Moura Dref C. , Laredo Thamara , Marangoni Alejandro G.
Published: October 2014

Heat resistance in chocolate upon ethylcellulose addition is due to the formation of a jammed sugar network.
Formation and characterization of a reactive chromium(v)–oxo complex: mechanistic insight into hydrogen-atom transfer reactions
Authors: Kotani Hiroaki , Kaida Suzue , Ishizuka Tomoya , Sakaguchi Miyuki , Ogura Takashi , Shiota Yoshihito , Yoshizawa Kazunari , Kojima Takahiko
Published: October 2014

Mechanistic insights were gained into hydrogen-atom transfer reactions from benzyl alcohol derivatives with different oxidation potentials to a highly reactive Cr(v)–oxo complex to reveal switching of reaction mechanisms.
Conducting polyfurans by electropolymerization of oligofurans
Authors: Sheberla Dennis , Patra Snehangshu , Wijsboom Yair H. , Sharma Sagar , Sheynin Yana , Haj-Yahia Abd-Elrazek , Barak Adva Hayoun , Gidron Ori , Bendikov Michael
Published: October 2014

Polyfuran films produced by electropolymerization of a series of oligofurans substituted with alkyl groups show improved properties, such as good conductivity and stability, well-defined spectroelectrochemistry and smooth morphology.
Copper zinc tin sulfide as a catalytic material for counter electrodes in dye-sensitized solar cells
Authors: Fan Miao-Syuan , Chen Jian-Hao , Li Chun-Ting , Cheng Kong-Wei , Ho Kuo-Chuan
Published: October 2014

A dye-sensitized solar cell (DSSC) with a synthesized Cu2ZnSnS4 catalytic counter electrode (CE) exhibits a cell efficiency of 7.94%, which shows comparable performance to that of a Pt CE (8.30%).
A fast route for synthesizing nano-sized ZSM-5 aggregates
Authors: Pan Feng , Lu Xuchen , Zhu Qingshan , Zhang Zhimin , Yan Yan , Wang Tizhuang , Chen Shiwei
Published: October 2014

Nano-sized ZSM-5 aggregates have been rapidly synthesized from leached metakaolin by solid-like state conversion. Compared with the conventional hydrothermal route, the nano-sized ZSM-5 aggregates obtained by this method showed more excellent catalytic performance, C2–C4 olefin selectivity and longer lifetime to endure coke deposition.
An alternative methodology for anchoring organic sensitizers onto TiO2 semiconductors for photoelectrochemical applications
Authors: Giannopoulos Panagiotis , Nikolakopoulou Archontoula , Andreopoulou Aikaterini K. , Sygellou Lamprini , Kallitsis Joannis K. , Lianos Panagiotis
Published: October 2014

Perfluorophenyl functionalized organic dyes were employed for the development of TiO2 organic hybrid NPs via stable non-hydrolysable Ti–O–C bonds. Respective photoanodes were tested in DSSCs and photoelectrochemical cells.
Translational models of lung disease
Authors: Mercer Paul F. , Abbott-Banner Katharine , Adcock Ian M. , Knowles Richard G.
Published: October 2014

The 2nd Cross Company Respiratory Symposium (CCRS), held in Horsham, U.K. in 2012, brought together representatives from across the pharmaceutical industry with expert academics, in the common interest of improving the design and translational predictiveness of in vivo models of respiratory disease. Organized by the respiratory representatives of the European Federation of Pharmaceutical Industries and Federations (EFPIA) group of companies involved in the EU-funded project (U-BIOPRED), the aim of the symposium was to identify state-of-the-art improvements in the utility and design of models of respiratory disease, with a view to improving their translational potential and reducing wasteful animal usage. The respiratory research and development community is responding to the challenge of improving translation in several ways: greater collaboration and open sharing of data, careful selection of the species, complexity and chronicity of the models, improved practices in preclinical research, continued refinement in models of respiratory diseases and their sub-types, greater understanding of the biology underlying human respiratory diseases and their sub-types, and finally greater use of human (and especially disease-relevant) cells, tissues and explants. The present review highlights these initiatives, combining lessons from the symposium and papers published in Clinical Science arising from the symposium, with critiques of the models currently used in the settings of asthma, idiopathic pulmonary fibrosis and COPD. The ultimate hope is that this will contribute to a more rational, efficient and sustainable development of a range of new treatments for respiratory diseases that continue to cause substantial morbidity and mortality across the world.
Peer Mentoring in Clinical Education
Authors: Ehrgott Ellen , Silberer Amanda
Published: October 2014

Clinical training methods have been discussed among disciplines with a variety of methods having been used with some success. However, there is limited empirical evidence to support particular methods over others. The purpose of this research was to initiate a pilot study that provided empirical evidence for clinical shadowing as a proposed clinical training method. The clinical shadowing included focused clinical observations and supported clinical experiences in a series of sessions led by graduate student clinicians. Empirical data was collected from undergraduate students to identify the perceived level of preparedness as a measure of effectiveness of a “shadowing experience” prior to entering their first semester of independent clinical experience in an effort to document increased effectiveness during clinical training.
Supervising Clinical Fellows: Preparation and Styles
Authors: Summers Connie , Resendiz Maria , Ruiz-Felter Roxanna
Published: October 2014

Purpose: The majority of supervision literature has focused on the supervision of graduate students. The purpose of this study was to examine the preparation of and explore the thinking styles of mentoring speech-language pathologists (SLPs) of Speech-Language Pathology graduates who are completing their clinical fellowship.

Method: A questionnaire was sent to 1626 SLPs by email who reported working in school settings and 102 participants responded. They were asked questions about demographics, caseloads, supervisory experiences, knowledge of the American Speech-Language-Hearing Association (ASHA, 2008) standards for supervision, and thinking styles. Forty of the participants reported on the number of years of experience they had with supervision and reported mentoring a clinical fellow in the past 3 years. These 40 participants were divided into two groups: mentoring SLPs with less experience (LEM; 1–5 years) and mentoring SLPs with more experience (MEM; 6 or more years).

Results: The LEM and MEM groups demonstrated different patterns in meeting and contacting their Clinical Fellows (CF) and in participating in training activities for mentoring SLPs. There were also differences in the thinking styles of the groups. The MEM group rated themselves as having preferences for tasks that allowed them to work on one thing at a time as well as tasks that had a more global focus more than those in the LEM group.

Conclusions: Differences in thinking styles may affect the style of supervision and mentoring. These relationships warrant further examination.
Efficient evaluation of specific absorption rate for MIMO terminals
Authors: Li H. , Lau B.K.
Published: October 2014

Multi‐antenna‐enabled terminal devices are required to comply with the standards for limiting human exposure to electric fields. However, when compared to the traditional single‐antenna terminals, a comprehensive evaluation of specific absorption rate (SAR) for multi‐antenna terminals is impractical. This is because both the power allocation and the phase of the electric fields from different antennas are arbitrary in practical multiple‐input–multiple‐output (MIMO) operation, hence requiring exhaustive evaluation over all possible cases. In this context, first, the time‐averaged simultaneous peak SAR (TASPS) is proposed as an efficient metric to evaluate the exposure when more than one antenna is transmitting simultaneously. Then, it is analytically derived that TASPS will be below a given exposure limit, as long as the stand‐alone peak SAR for each antenna is smaller than that limit. Thus, SAR evaluation is greatly simplified since only the stand‐alone SAR needs to be measured. Several examples of dual‐antenna mobile handsets are shown to illustrate and validate the analytical result.
Spectrum sensing based on goodness of fit test with unilateral alternative hypothesis
Authors: Jin Ming , Guo Qinghua , Xi Jiangtao , Yu Yanguang
Published: October 2014

Several classical goodness of fit (GoF) tests have been used in spectrum sensing. A new GoF test with a unilateral alternative hypothesis for spectrum sensing is proposed. The new test statistic is derived and extended to the case of finite samples. It is shown that the proposed spectrum‐sensing method provides improvement in performance and reduction in computational complexity.
Energy‐efficient resource allocation in heterogeneous networks with cell range expansion
Authors: Jiang Jiamo , Peng Mugen , Li Lei , Wang Wenbo
Published: October 2014

Cell range expansion (CRE) has emerged as a promising technique to improve spectral and energy efficiency (EE) in heterogeneous networks (HetNets). In this study, a resource allocation (RA) problem for maximising the EE is formulated with the considerations on CRE and cross‐tier interference coordination (CTIC). Owing to the forms of the objective function and the constraints, the optimisation problem is non‐convex and intractable. To solve this problem efficiently, we convert the original problem into an equivalent problem. Then, an efficient iterative algorithm is proposed, where the closed‐form expressions of power and resource block allocations are derived by Lagrange dual decomposition method in each iteration. It has been revealed that the proposed iterative algorithm converges to the energy‐efficient RA solutions. Compared with the algorithm without CTIC, the simulation results present that the proposed algorithm can achieve the EE gains by 70 percents when the number of the expanded‐range users is large and the quality of service requirement is high.
Method of mould alignment for double‐sided hot embossing of microfluidic devices using kinematic constraints
Authors: Conner Timothy , Song In‐Hyouk , Park Taehyun , You Byoung Hee
Published: October 2014

Demand has increased for the double‐sided moulding of microfluidic devices for a series of biochemical analyses. Accurate alignment of mould inserts is a critical aspect to transfer doubled‐sided patterns on the top and bottom surfaces of a moulded part. A method of mould alignment was studied for double‐sided hot embossing of polymer microfluidic devices. An alignment method was designed using kinematic constraints, and a set of three locating pins. To validate the alignment method, two brass mould inserts with fluidic reservoirs were used for the double‐sided moulding of prototype microfluidic devices. The kinematic constraints were used to align the mould inserts with each other on the hot embossing machine. The misalignment of double‐sided features on the moulded parts was measured using a measuring microscope. The X ‐ and Y ‐magnitudes of the mismatches ranged from −28 to 118 µm along the X ‐axis of the moulded parts. The X ‐ and Y ‐magnitudes of the mismatches along the Y ‐axis of the moulded parts varied from −38 to 141 µm. The results of the experiments showed that the mould alignment using kinematic constraints is applicable to the fabrication of double‐sided patterns for microfluidic devices.
Effects of passing energetic particles on geodesic acoustic mode
Authors: Ren Haijun , Dong Chao
Published: October 2014

Effects of passing energetic particles on geodesic acoustic modes (GAMs) are investigated using the hybrid kinetic-fluid model. The local dispersion relation of GAM is derived by adopting the equilibrium distribution function for slowing-down energetic ions with a single pitch angle. The dependence of the distribution function on the poloidal angle is first taken into account and shows to play a crucial role in determining the instability criterion as well as the frequency of GAM, although the poloidal asymmetry is of order O(ϵ). A high frequency branch of GAM resonantly excited is always stable, and a low frequency branch could be unstable. The case of zero pitch angle is specifically discussed. This case is always responsible for stable modes when disregarding the poloidal asymmetry, but can be unstable when the poloidal asymmetry is considered.
Photo-thermal quartz tuning fork excitation for dynamic mode atomic force microscope
Authors: Bontempi Alexia , Teyssieux Damien , Friedt Jean-Michel , Thiery Laurent , Hermelin Damien , Vairac Pascal
Published: October 2014

A photo-thermal excitation of a Quartz Tuning Fork (QTF) for topographic studies is introduced. The non-invasive photo-thermal excitation presents practical advantages compared to QTF mechanical and electrical excitations, including the absence of the anti-resonance and its associated phase rotation. Comparison between our theoretical model and experiments validate that the optical transduction mechanism is a photo-thermal rather than photo-thermoacoustic phenomenon. Topographic maps in the context of near-field microscopy distance control have been achieved to demonstrate the performance of the system.
How water layers on graphene affect folding and adsorption of TrpZip2
Authors: Peter Emanuel K. , Agarwal Mrigya , Kim BongKeun , Pivkin Igor V. , Shea Joan-Emma
Published: October 2014

We present a computational study of the folding of the Trp-rich β-hairpin TrpZip2 near graphene, a surface of interest as a platform for biosensors. The protein adsorbs to the surface, populating a new bound, folded state, coexisting with extended, adsorbed conformations. Adsorption and folding are modulated by direct interactions between the indole rings of TrpZip2 and the rings on the graphene surface, as well as by indirect water-mediated interactions. In particular, we observe strong layering of water near graphene, ice-like water configurations, and the formation of short lived hydrogen-bonds between water and protein. In order to study the effect of this layering in more detail, we modified the interactions between graphene and water to obtain two extreme cases: (1) enhanced layering of water that prevents the peptide from penetrating the water layer thereby enabling it to fold to a bulk-like structure, and (2) disruption of the water layer leading to adsorption and unfolding of the protein on the surface. These studies illuminate the roles of direct and solvent mediated interactions in modulating adsorption and folding of proteins on surfaces.
Nonequilibrium molecular dynamics simulation of diffusion at the liquid-liquid interface
Authors: Braga Carlos , Galindo Amparo , Müller Erich A.
Published: October 2014

Molecular Dynamics simulations are performed to study the dynamical properties of molecules in the presence of a liquid-liquid (L/L) interface. In the vicinity of the interface the movement of the particles, coupled with the thermal fluctuations of the interface, can make the evaluation of properties such as the self-diffusion coefficient, particularly difficult. We explore the use of the Evans-Searles Fluctuation Theorem [D. Evans and D. Searles, Phys. Rev. E 50, 1645 (1994)] to obtain dynamical information of molecules in distinct regions of a model L/L system. We demonstrate that it is possible to analyse the effect of the interface on the mobility of molecules using a nonequilibrium approach. This information may provide a valuable insight into the understanding of dynamics of interphase mass transfer.
Location of laccase in ordered mesoporous materials
Authors: Mayoral Álvaro , Gascón Victoria , Blanco Rosa M. , Márquez-Álvarez Carlos , Díaz Isabel
Published: October 2014

The functionalization with amine groups was developed on the SBA-15, and its effect in the laccase immobilization was compared with that of a Periodic Mesoporous Aminosilica. A method to encapsulate the laccase in situ has now been developed. In this work, spherical aberration (Cs) corrected scanning transmission electron microscopy combined with high angle annular dark field detector and electron energy loss spectroscopy were applied to identify the exact location of the enzyme in the matrix formed by the ordered mesoporous solids.
High resolution NMR study of T1 magnetic relaxation dispersion. IV. Proton relaxation in amino acids and Met-enkephalin pentapeptide
Authors: Pravdivtsev Andrey N. , Yurkovskaya Alexandra V. , Vieth Hans-Martin , Ivanov Konstantin L.
Published: October 2014

Nuclear Magnetic Relaxation Dispersion (NMRD) of protons was studied in the pentapeptide Met-enkephalin and the amino acids, which constitute it. Experiments were run by using high-resolution Nuclear Magnetic Resonance (NMR) in combination with fast field-cycling, thus enabling measuring NMRD curves for all individual protons. As in earlier works, Papers I–III, pronounced effects of intramolecular scalar spin-spin interactions, J-couplings, on spin relaxation were found. Notably, at low fields J-couplings tend to equalize the apparent relaxation rates within networks of coupled protons. In Met-enkephalin, in contrast to the free amino acids, there is a sharp increase in the proton T1-relaxation times at high fields due to the changes in the regime of molecular motion. The experimental data are in good agreement with theory. From modelling the relaxation experiments we were able to determine motional correlation times of different residues in Met-enkephalin with atomic resolution. This allows us to draw conclusions about preferential conformation of the pentapeptide in solution, which is also in agreement with data from two-dimensional NMR experiments (rotating frame Overhauser effect spectroscopy). Altogether, our study demonstrates that high-resolution NMR studies of magnetic field-dependent relaxation allow one to probe molecular mobility in biomolecules with atomic resolution.
Predicting polymeric crystal structures by evolutionary algorithms
Authors: Zhu Qiang , Sharma Vinit , Oganov Artem R. , Ramprasad Ramamurthy
Published: October 2014

The recently developed evolutionary algorithm USPEX proved to be a tool that enables accurate and reliable prediction of structures. Here we extend this method to predict the crystal structure of polymers by constrained evolutionary search, where each monomeric unit is treated as a building block with fixed connectivity. This greatly reduces the search space and allows the initial structure generation with different sequences and packings of these blocks. The new constrained evolutionary algorithm is successfully tested and validated on a diverse range of experimentally known polymers, namely, polyethylene, polyacetylene, poly(glycolic acid), poly(vinyl chloride), poly(oxymethylene), poly(phenylene oxide), and poly (p-phenylene sulfide). By fixing the orientation of polymeric chains, this method can be further extended to predict the structures of complex linear polymers, such as all polymorphs of poly(vinylidene fluoride), nylon-6 and cellulose. The excellent agreement between predicted crystal structures and experimentally known structures assures a major role of this approach in the efficient design of the future polymeric materials.
Surfactant-directed synthesis of mesoporous films made single-step by a tandem photosol-gel/photocalcination route
Authors: De Paz-Simon Héloïse , Chemtob Abraham , Croutxé-Barghorn Céline , Rigolet Séverinne , Michelin Laure , Vidal Loïc , Lebeau Bénédicte
Published: October 2014

In view of their technological impact in materials chemistry, a simplified and more efficient synthetic route to mesoporous films is highly sought. We report, herein, a smart UV-mediated approach coupling in a one-stage process sol-gel photopolymerization and photoinduced template decomposition/ablation to making mesoporous silica films. Performed at room temperature with a solvent-free solution of silicate precursor and amphiphilic poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) block copolymer, the synthesis relies on photoacid generation to induce the fast formation (≈10 min) of mesostructured silica/surfactant domains. Continuation of UV exposure for three additional hours enables subsequent and complete photodegradation of the polyether copolymer, resulting in ordered or disordered mesoporous silica film. One of the most attractive features is that the one-step procedure relies on a continuous illumination provided by the same conventional medium-pressure Hg-Xe arc lamp equipped with a 254 nm reflector to enhance the emission of energetic photons <300 nm. In addition to X-ray diffraction and transmission electron microscopy, time-resolved Fourier transform infrared spectroscopy has proved to be a powerful in situ technique to probe the different chemical transformations accompanying irradiation. Photocalcination strengthens the inorganic network, while allowing to preserve a higher fraction of residual silanol groups compared with thermal calcination. A polyether chain degradation mechanism based on oxygen reactive species-mediated photo-oxidation is proposed.
Optical simulation and optimization of weak-microcavity tandem white organic light-emitting diodes
Authors: Yue Shouzhen , Guo Runda , Wu YuKun , Yan Pingrui , Zhang Shiming , Zhang Zhensong , Qu Dalong , Zhao Yi
Published: October 2014

We systematically studied the influence of weak microcavity effects on the optical properties of tandem white organic light-emitting diodes (WOLEDs) using optical simulation. Based on the simulation results, an image processing method is developed and verified for rational design of high-performance tandem WOLEDs. The results indicate that low operating voltage, good color rendering index, and angular emission properties can be simultaneously obtained in tandem WOLEDs by engineering the device structure. This study provides promising direction for the development of high-performance tandem WOLEDs.
On the drift magnetosonic waves in anisotropic low beta plasmas
Authors: Naim Hafsa , Bashir M. F. , Murtaza G.
Published: October 2014

A generalized dispersion relation of obliquely propagating drift magnetosonic waves is derived by using the gyrokinetic theory for anisotropic low beta plasmas. The stability analysis applicable to a wide range of plasma parameters is performed to understand the stabilization mechanism of the drift magnetosonic instability and the estimation of the growth rate is also presented. It is noted that the growth rate of the drift instability enhances for small anisotropy (Ae,i = T⊥e,i/T∥e,i < 1) whereas it is suppressed for large anisotropy (Ae,i > 1).
Versatile apparatus for thermoelectric characterization of oxides at high temperatures
Authors: Schrade Matthias , Fjeld Harald , Norby Truls , Finstad Terje G.
Published: October 2014

An apparatus for measuring the Seebeck coefficient and electrical conductivity is presented and characterized. The device can be used in a wide temperature range from room temperature to 1050 °C and in all common atmospheres, including oxidizing, reducing, humid, and inert. The apparatus is suitable for samples with different geometries (disk-, bar-shaped), allowing a complete thermoelectric characterization (including thermal conductivity) on a single sample. The Seebeck coefficient α can be measured in both sample directions (in-plane and cross-plane) simultaneously. Electrical conductivity is measured via the van der Pauw method. Perovskite-type CaMnO3 and the misfit cobalt oxide (Ca2CoO3)q(CoO2) are studied to demonstrate the temperature range and to investigate the variation of the electrical properties as a function of the measurement atmosphere.
Determination of the position and orientation of a flat piezoelectric micro-stage by moving the optical axis
Authors: Zhuang Guo-Yuan , Lee Hau-Wei , Liu Chien-Hung
Published: October 2014

A moving optical axis measurement system with six degrees-of-freedom (DOF) is proposed in this study. The system is very simple and can be placed inside a flat piezoelectric micro-stage. The system comprises three two-DOF optical measurement modules, each having a quadrant photo diode (QPD), a lens, and a laser diode. These three modules and the geometric configuration of their installation allow displacement measurements with up to six-DOF to be made. A mathematical model of this system is also presented. By analyzing the sensitivity and relationship between the displacement of the stage and each of the QPD light spots, movement can be observed. Signal feedback enables multi-axis nano-scale positioning control. We also present a new six-DOF nano stage, which uses piezoelectric actuators for displacement. This stage was used to verify the proposed six-DOF measurement system. Linear and angular resolution of the system can be down to 10 nm and 0.1 arcsec. Linear and angular displacement measurement errors of this six-DOF measurement system are in the range of ±70 nm and ±0.65 arcsec.
Extension and optimization of a three-layer method for the estimation of thermal conductivity of super-insulating materials
Authors: Bahrani Seyed Amir , Jannot Yves , Degiovanni Alain
Published: October 2014

The three-layer method is a characterization method dedicated to the measurement of the thermal conductivity of small samples made out of insulating or super-insulating materials. It is based on the transient recording of the mean temperatures of two brass plates placed, respectively, above and under the sample, one of them being heated. In case of a super insulating material, the rate of heat flow from the heated to the unheated plate through the surrounding air is not negligible with respect to the rate of heat flow through the sample. It is shown that introduction of a simple parallel thermal resistance allows taking this flow of heat into account. An analytical model, based on a new quadrupolar approach, was developed to estimate this resistance considered further as a known parameter in the estimation process. An experimental study was carried out to characterize samples whose thermal conductivities have been measured previously with another method. The deviation of the estimated thermal conductivities from these reference values with respect to the three-layer method results reaches 29% without considering parallel heat flow but is lower than 2% using the new model.
A comparison of two types of explicitly correlated Gaussian functions for non-Born-Oppenheimer molecular calculations using a model potential
Authors: Formanek Martin , Sharkey Keeper L. , Kirnosov Nikita , Adamowicz Ludwik
Published: October 2014

A new functional form of the explicitly correlated Gaussian-type functions (later called Gaussians or ECGs) for performing non-Born-Oppenheimer (BO) calculations of molecular systems with an arbitrary number of nuclei is presented. In these functions, the exponential part explicitly depends on all interparticle distances and the preexponential part depends only on the distances between the nuclei. The new Gaussians are called sin/cos-Gaussians and their preexponential part is a product of sin and/or cos factors. The effectiveness of the new Gaussians in describing non-BO pure vibrational states is investigated by comparing them with rm-Gaussians containing preexponential multipliers in the form of non-negative powers of internuclear distances (the internuclear distance in the diatomic case). The testing is performed for a diatomic system with the nuclei interacting through a Morse potential. It shows that the new sin/cos-Gaussian basis set is capable of providing equally accurate results as obtained with the rm-Gaussians. However, especially for lower vibrational states, more sin/cos-Gaussians are needed to reach a similar accuracy level as obtained with the rm-Gaussians. Implementation of the sin/cos-Gaussians in non-BO calculations of diatomic and, in particular, of triatomic systems, which will follow, will provide further assessment of the efficiency of the new functions.
Ion aggregation in high salt solutions. II. Spectral graph analysis of water hydrogen-bonding network and ion aggregate structures
Authors: Choi Jun-Ho , Cho Minhaeng
Published: October 2014

Graph theory in mathematics and computer science is the study of graphs that are structures with pairwise connections between any objects. Here, the spectral graph theory and molecular dynamics simulation method are used to describe both morphological variation of ion aggregates in high salt solutions and ion effects on water hydrogen-bonding network structure. From the characteristic value analysis of the adjacency matrices that are graph theoretical representations of ion clusters, ion networks, and water H-bond structures, we obtained the ensemble average eigenvalue spectra revealing intricate connectivity and topology of ion aggregate structure that can be classified as either ion cluster or ion network. We further show that there is an isospectral relationship between the eigenvalue spectra of ion networks in high KSCN solutions and those of water H-bonding networks. This reveals the isomorphic relationship between water H-bond structure and ion-ion network structure in KSCN solution. On the other hand, the ion clusters formed in high NaCl solutions are shown to be graph-theoretically and morphologically different from the ion network structures in KSCN solutions. These observations support the bifurcation hypothesis on large ion aggregate growth mechanism via either ion cluster or ion network formation. We thus anticipate that the present spectral graph analyses of ion aggregate structures and their effects on water H-bonding network structures in high salt solutions can provide important information on the specific ion effects on water structures and possibly protein stability resulting from protein-water interactions.
Absorption spectroscopy of isolated magnetic antivortices
Authors: Pues Matthias , Martens Michael , Meier Guido
Published: October 2014

We present an analysis of the dynamics of isolated magnetic antivortices preformed by high frequency absorption measurements from the linear via the non-linear to the switching regime. Static magnetic bias fields are used to deflect the antivortex out of the equilibrium position and the shift of the resonance frequency of the gyrotropic eigenmode is observed. The results from the absorption measurements for highly anisotropic annihilation fields of the antivortex are compared with magneto-resistance measurements and micromagnetic simulations.