bluuebunny/crossref_metadata_2025 huggingface dataset:
Memoirs of the Life and Writings of Mrs Frances Sheridan
Authors: Lefanu Alicia
Published: October 2014

Frances Sheridan (1724–66) won acclaim in her day as both a playwright and novelist. Her most famous work, the sentimental novel Memoirs of Miss Sidney Bidulph (1761), found favour with Samuel Johnson, while her comedy The Discovery (1763) was staged by David Garrick at Drury Lane. Her fame was later eclipsed by that of her son, the playwright and politician Richard Brinsley Sheridan (1751–1816). Written by Alicia Lefanu (1791–c.1844), her granddaughter, this 1824 publication reaffirms the significance of Frances Sheridan's own work as a writer. Recounting her successes and incorporating her own recollections, the book reveals a woman admired both for her literary output and for her character. This work also includes reflections on the life of her son, whose early writing was influenced by that of his mother. Thomas Moore's two-volume biography of Richard Brinsley Sheridan has also been reissued in this series.
The Private Correspondence of David Garrick with the Most Celebrated Persons of his Time
Authors: Garrick David
Published: October 2014

David Garrick (1717–79) is synonymous with the golden age of English theatre. Widely acclaimed as an actor, he went on to become a shrewd theatre manager at Drury Lane. His years in charge of the Theatre Royal ensured its dramatic ascendancy and burnished his own considerable celebrity. These letters, first published in 1831, reveal Garrick's gregarious nature and shed light on his many friendships with leading ladies, fellow actors, contemporary playwrights, and members of high society. His love of Shakespeare's work is also evident, highlighting Garrick's pivotal role in ensuring the plays became established in the national consciousness. This two-volume collection was edited by James Boaden (1762–1839), who published several theatrical biographies (also reissued in this series). Containing correspondence for the period 1736–74, Volume 1 also includes a biographical account that traces the progress of Garrick's theatrical career.
A NEW CONGRUENCE MODULO 25 FOR 1-SHELL TOTALLY SYMMETRIC PLANE PARTITIONS
Authors: XIA ERNEST X. W.
Published: October 2014

For any positive integer $n$, let $f(n)$ denote the number of 1-shell totally symmetric plane partitions of $n$. Recently, Hirschhorn and Sellers [‘Arithmetic properties of 1-shell totally symmetric plane partitions’, Bull. Aust. Math. Soc.89 (2014), 473–478] and Yao [‘New infinite families of congruences modulo 4 and 8 for 1-shell totally symmetric plane partitions’, Bull. Aust. Math. Soc.90 (2014), 37–46] proved a number of congruences satisfied by $f(n)$. In particular, Hirschhorn and Sellers proved that $f(10n+5)\equiv 0\ (\text{mod}\ 5)$. In this paper, we establish the generating function of $f(30n+25)$ and prove that $f(250n+125)\equiv 0\ (\text{mod\ 25}).$
Reef fish assemblage and zoogeographic affinities of a scarcely known region of the western equatorial Atlantic
Authors: Freitas João Eduardo Pereira , Lotufo Tito Monteiro Cruz
Published: October 2014

Based on data from 151 underwater surveys (scuba) between 2002 and 2007, the present study assessed the reef fish fauna from a scarcely known region on the north-eastern Brazilian coast (Ceará State). A checklist of 179 taxa is provided and the zoogeographic patterns are analysed and discussed, including six other localities. Based only on assemblage composition, the reef fish fauna from Ceará showed a strong resemblance (73%) with the reefs of Risca do Zumbi (RN) and Paraiba (PB). The data from the visual censuses including abundance values corroborate the evaluation based only on composition and suggest ecological factors as the main drivers of the fish assemblages in the region.
Biopolitics, Occupational Health and State Power: The Marginalization of Sick Workers in China
Authors: Ho Wing-Chung
Published: October 2014

This article endeavours to address the experience of Chinese workers with occupational disease as an instantiation of Agamben's notion ofhomo sacer– the ultimate biopolitical subject whose life is located outside the “normal” political, economic and cultural practices and, hence, is rendered largely silent and unintelligible in the public realm. It argues that the victimization of the occupationally sick worker has become almost a blind spot at the centre of governmentality insofar as the specific set of social regulations and power relations has created a “double ambivalence” among the victims who are constantly and disturbingly caught in between the public and private, the productive and unproductive, and the culturally normative and the culturally deviant. Such experiences of marginality contribute to the understanding of the biopolitical nature of contemporary Chinese state power, which adopts extensive “stability maintenance” (weiwen) measures to reduce resisters to a state of “bare life” susceptible to the rule of exception.
Improving Information Provision for Neurosurgical Patients: A Qualitative Study
Authors: Bramall Alexa N. , Bernstein Mark
Published: October 2014

Background:

Patients confronted with the daunting prospect of a potentially life-altering procedure with uncertain outcome demonstrate high levels of anxiety and need for information. Regardless, many patients are left unsatisfied by the amount of information received from physicians. This study sought to examine the information-seeking patterns of patients and suggest ways to optimize the communication of medical information, specifically within the context of neurosurgery.

Methods:

Semi-structured interviews were conducted with 31 neurosurgical patients operated on for benign or malignant brain tumors. Interviews were transcribed and subjected to thematic analysis in NVivo10.

Results:

Three major themes relating to information-seeking by neurosurgical patients were identified: 1) almost all patients searched for information on the Internet; 2) in addition to characterizing the tumor as benign or malignant, patients sought additional information such as the location of the tumor in the brain; and 3) patients with malignant tumors were less likely to seek information online and more likely to consider alternative therapies. To improve the provision of information to neurosurgical patients, physicians can 1) offer to review imaging results with patients; 2) promote an environment open to questions; 3) provide information in a forthright manner, avoiding the use of medical jargon; and 4) consider guiding patients to reliable Internet sites and facilitating written records of consultations.

Conclusions:

There are many ways that physicians can improve the provision of information to patients, including providing written information and physician recommended online resources, and being mindful of patient perceived time constraints and barriers to effective communication.
The Tea Party Movement and the 2012 House Election
Authors: McNitt Andrew D.
Published: October 2014

This article examines Tea Party candidates for the US House of Representative in 2012. Tea Party and Tea Party–endorsed candidates are similar to other Republican candidates. Although they have served in the House for a shorter period, they have approximately the same financial resources, prior political experience, and reelection rate as other Republicans. Multivariate analysis finds that Tea Party membership and endorsement have no impact on electoral outcome when other political factors are controlled for (e.g., incumbency, running for an open seat, quality of opposing candidate, prior political experience, financial resources, and Obama’s vote). Consequently, the success of Tea Party candidates depends on acquiring the traditional political resources, having weak opponents, and running in favorably disposed constituencies rather than identification with this highly visible political movement.
What’s a Dog Story Worth?
Authors: Atkinson Matthew D. , Deam Maria , Uscinski Joseph E.
Published: October 2014

Journalists consider the importance of events and the audience’s interest in them when deciding on which events to report. Events most likely to be reported are those that are both important and can capture the audience’s interest. In turn, the public is most likely to become aware of important news when some aspect of the story piques their interest. We suggest an efficacious means of drawing public attention to important news stories: dogs. Examining the national news agenda of 10 regional newspapers relative to that of theNew York Times, we evaluated the effect of having a dog in a news event on the likelihood that the event is reported in regional newspapers. The “dog effect” is approximately equivalent to the effect of whether a story warrants front- or back-page national news coverage in theNew York Times. Thus, we conclude that dogs are an important factor in news decisions.
The Diffusion of Support for Same-Sex Marriage in the US Senate
Authors: Theriault Sean M. , Thomas Herschel F.
Published: October 2014

Advocates for same-sex marriage have had much to celebrate. The last few years have shown that state after state and senator after senator have declared their support for full marriage equality. Such momentum suggests that their goals will be realized sooner rather than later. In this article, we analyze when senators announce their support for same-sex marriage. Contrary to the popularly held belief that their decisions will quickly snowball into filibuster-proof numbers, we find that most of the easy successes have already been achieved. The difficulty of securing the last few votes may take much longer.
Das plastische Hirn
Authors: Jäncke Lutz
Published: October 2014

Einer der herausragenden Befunde der neurowissenschaftlichen Forschung in den letzten 25 bis 30 Jahren ist die Entdeckung der enormen Formbarkeit des menschlichen Gehirns. Diese Plastizität des Gehirns äußert sich in der strukturellen und funktionellen Plastizität des Gehirns. Unter der funktionellen Neuroplastizität versteht man erfahrungsbedingte neurophysiologische Aktivitätsveränderungen innerhalb von neuronalen Netzwerken, während die strukturelle Neuroplastizität die erfahrungsbedingte morphologische Veränderung des Gehirns beschreibt. Im Rahmen dieses Übersichtsartikels werden – nach einer historischen Einordnung der Plastizitätsforschung – die wesentlichen Befunde dieser Forschungsrichtung kurz dargestellt. Anschließend werden die Konsequenzen dieser neuen Forschungsrichtung für die Grundlagenforschung aber auch für die Reha-Forschung und die Suche nach Optimierungsmöglichkeiten des gesunden Gehirns diskutiert.
Implementation of Evidence-Based Psychological Interventions for Pediatric Needle Pain
Authors: Boerner Katelynn E. , Gillespie Joanne M. , McLaughlin Elizabeth N. , Kuttner Leora , Chambers Christine T.
Published: October 2014

Needle procedures are a painful and distressing experience for many children. There is a strong evidence base that demonstrates the efficacy of psychological interventions for reducing pain and distress during needle procedures. However, actual implementation of these strategies before, during, and after a needle procedure is affected by multiple factors that increase the complexity of delivery of these interventions in clinical settings. These challenges include application of evidence-based strategies to diverse populations that tend to be excluded from the research literature (e.g., children with developmental delays, children with needle anxiety or phobia), environmental barriers (e.g., providing pain management strategies for needle procedures in different settings), and practical or logistical issues (e.g., inadequate preparation time). We discuss these issues, provide practical suggestions for increasing access to evidence-based pain management strategies, and present three illustrative case examples. Pediatric psychologists may face challenges in implementing evidence-based strategies for needle pain and distress, but important opportunities for educating families and health professionals about the management of procedural pain from needles are available.
GLUT2-Mediated Glucose Uptake and Availability Are Required for Embryonic Brain Development in Zebrafish
Authors: Marín-Juez Rubén , Rovira Mireia , Crespo Diego , van der Vaart Michiel , Spaink Herman P , Planas Josep V
Published: October 2014

Glucose transporter 2 (GLUT2; gene name SLC2A2) has a key role in the regulation of glucose dynamics in organs central to metabolism. Although GLUT2 has been studied in the context of its participation in peripheral and central glucose sensing, its role in the brain is not well understood. To decipher the role of GLUT2 in brain development, we knocked down slc2a2 ( glut2), the functional ortholog of human GLUT2, in zebrafish. Abrogation of glut2 led to defective brain organogenesis, reduced glucose uptake and increased programmed cell death in the brain. Coinciding with the observed localization of glut2 expression in the zebrafish hindbrain, glut2 deficiency affected the development of neural progenitor cells expressing the proneural genes atoh1b and ptf1a but not those expressing neurod. Specificity of the morphant phenotype was demonstrated by the restoration of brain organogenesis, whole-embryo glucose uptake, brain apoptosis, and expression of proneural markers in rescue experiments. These results indicate that glut2 has an essential role during brain development by facilitating the uptake and availability of glucose and support the involvement of glut2 in brain glucose sensing.
Dax1 and Nanog act in parallel to stabilize mouse embryonic stem cells and induced pluripotency
Authors: Zhang Junlei , Liu Gaoke , Ruan Yan , Wang Jiali , Zhao Ke , Wan Ying , Liu Bing , Zheng Hongting , Peng Tao , Wu Wei , He Ping , Hu Fu-Quan , Jian Rui
Published: October 2014

Nanog expression is heterogeneous and dynamic in embryonic stem cells (ESCs). However, the mechanism for stabilizing pluripotency during the transitions between Nanoghighand Nanoglowstates is not well understood. Here we report that Dax1 acts in parallel with Nanog to regulate mouse ESC (mESCs) identity. Dax1 stable knockdown mESCs are predisposed towards differentiation but do not lose pluripotency, whereas Dax1 overexpression supports LIF-independent self-renewal. Although partially complementary, Dax1 and Nanog function independently and cannot replace one another. They are both required for full reprogramming to induce pluripotency. Importantly, Dax1 is indispensable for self-renewal of NanoglowmESCs. Moreover, we report that Dax1 prevents extra-embryonic endoderm (ExEn) commitment by directly repressingGata6transcription. Dax1 may also mediate inhibition of trophectoderm differentiation independent or as a downstream effector of Oct4. These findings establish a basal role of Dax1 in maintaining pluripotency during the state transition of mESCs and somatic cell reprogramming.
Neutral polymers as coatings for high resolution electrophoretic separation of Aβ peptides on glass microchips
Authors: Mesbah Kiarach , Verpillot Romain , Chiari Marcella , Pallandre Antoine , Taverna Myriam
Published: October 2014

EpDMA, an efficient coating for glass microchip to achieve high resolution separation of relevant Aβ peptides for Alzheimer's disease diagnosis.
Achromatic–chromatic colorimetric sensors for on–off type detection of analytes
Authors: Heo Jun Hyuk , Cho Hui Hun , Lee Jin Woong , Lee Jung Heon
Published: October 2014

We developed a method to convert a general colorimetric sensor to an achromatic colorimetric sensor by introducing a complementary colored dye to the sensor, helping users to detect the presence of analytes at much lower concentration and recognize the existence of analytes instinctively.
A fluorescent ratiometric Cu2+ probe based on FRET by naphthalimide-appended rhodamine derivatives
Authors: Yu Chunwei , Wen Yingying , Qin Xi , Zhang Jun
Published: October 2014

A Cu2+-selective naphthalimide–rhodamine based FRET fluorescent probe was synthesized and characterized.
Rapid discovery and global characterization of multiple constituents from Kai-Xin-San using an integrated MSEdata acquisition mode strategy based on ultra-performance liquid chromatography coupled to electrospray ionization/quadrupole-time-of-flight mass spectrometry
Authors: Sun Hui , Liu Chang , Zhang Ai-hua , Han Ying , Yan Guang-li , Wang Ping , Wang Xi-jun
Published: October 2014

A UPLC/QTOF MS system was used to analyze the chemical components of Kai-Xin-San, a traditional Chinese medicine.
Electrochemical controlling and monitoring of halogen bond formation in solution
Authors: Groni Sihem , Maby-Raud Tanguy , Fave Claire , Branca Mathieu , Schöllhorn Bernd
Published: October 2014

Cyclic voltammetry has been used for the first time to probe and to activate non-covalent halogen bonding via redox switching in solution.
Reactions of pyruvates: organocatalytic synthesis of functionalized dihydropyrans in one pot and further transformations to functionalized carbocycles and heterocycles
Authors: Chouthaiwale Pandurang V. , Tanaka Fujie
Published: October 2014

Concise cascade reactions of pyruvates with aldehydes that generate functionalized dihydropyran derivatives in one pot have been developed. The products, dihydropyrans, were further concisely transformed to various functionalized molecules.
Two carboxyethyltin functionalized polyoxometalates for assembly on carbon nanotubes as efficient counter electrode materials in dye-sensitized solar cells
Authors: Sang Xiao-Jing , Li Jian-Sheng , Zhang Lan-Cui , Zhu Zai-Ming , Chen Wei-Lin , Li Yang-Guang , Su Zhong-Min , Wang En-Bo
Published: October 2014

Two new POM-carboxyethyltin derivatives increased the electrocatalytic activity of single-walled carbon nanotubes toward triiodide reduction as counter electrodes in DSSCs.
The first route to highly stable crystalline microporous zirconium phosphonate metal–organic frameworks
Authors: Taddei Marco , Costantino Ferdinando , Marmottini Fabio , Comotti Angiolina , Sozzani Piero , Vivani Riccardo
Published: October 2014

The first crystalline microporous zirconium phosphonate metal–organic framework (UPG-1) was synthesized using the novel tritopic ligand 2,4,6-tris(4-(phosphonomethyl)phenyl)-1,3,5-triazine.
Reversible activation of pH-sensitive cell penetrating peptides attached to gold surfaces
Authors: Baio Joe E. , Schach Denise , Fuchs Adrian V. , Schmüser Lars , Billecke Nils , Bubeck Christoph , Landfester Katharina , Bonn Mischa , Bruns Michael , Weiss Clemens K. , Weidner Tobias
Published: October 2014

Here, we demonstrate that a fusion protein mimic, designed to achieve a reversible, pH-driven helix-coil transition mechanism, retain its functionality when covalently bound to a surface.
Two nanocage anionic metal–organic frameworks with rht topology and {[M(H2O)6]6}12+ charge aggregation for rapid and selective adsorption of cationic dyes
Authors: Zhu Zhifeng , Bai Yue-Ling , Zhang Liangliang , Sun Daofeng , Fang Jianhui , Zhu Shourong
Published: October 2014

Two new rht-type anionic MOFs revealed a rapid and selective adsorption of cationic dyes and desorption in saturated NaCl aqueous solution.
A second sphere coordination adduct containing one-dimensional water/methanol channels: X-ray structures, thermal stability and single crystal impedance spectroscopy analysis
Authors: Li Lei , Maddalena Francesco , Oliveros Malena , Caironi Mario , Guo Fang , Martí-Rujas Javier
Published: October 2014

The X-ray structures, thermal stability, guest behavior and impedance spectroscopy analysis of a second sphere adduct are reported.
Fe/Ga-CFA-6 – metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligand
Authors: Spirkl Sebastian , Grzywa Maciej , Zehe Christoph S. , Senker Jürgen , Demeshko Serhiy , Meyer Franc , Riegg Stefan , Volkmer Dirk
Published: October 2014

Two novel metal–organic frameworks Fe-/Ga-CFA-6 based on trivalent metal centers and 4,4′-bipyrazolate linkers are presented and characterized in this work.
The influence of 1-alkyl-3-methyl imidazolium ionic liquids on a series of cobalt-1,4-benzenedicarboxylate metal–organic frameworks
Authors: Xu Ling , Liu Bing , Liu Sheng-Xian , Jiao Huan , de Castro Baltazar , Cunha-Silva Luís
Published: October 2014

[RMI]+ can tune the structures of MOFs and exert influence on the properties through the alkyl chains.
Photodegradation of 2-mercaptobenzothiazole and 1,2,3-benzotriazole corrosion inhibitors in aqueous solutions and organic solvents
Authors: Serdechnova Maria , Ivanov Vladimir L. , Domingues M. Rosario M. , Evtuguin Dmitry V. , Ferreira Mario G. S. , Zheludkevich Mikhail L.
Published: October 2014

The mechanism of MBT and BTA photodegradation was examined in aqueous and organic solutions, and photodegradation products were determined.
The KCaSrTa5O15 photocatalyst with tungsten bronze structure for water splitting and CO2 reduction
Authors: Takayama Tomoaki , Tanabe Kentaro , Saito Kenji , Iwase Akihide , Kudo Akihiko
Published: October 2014

KCaSrTa5O15 with tungsten bronze structure and a band gap of 4.1 eV showed activities for water splitting and CO2 reduction with NiO and Ag cocatalysts, respectively.
Syntheses, crystal structures, MMCT and magnetic properties of four one-dimensional cyanide-bridged complexes comprised of MII–CN–FeIII(M = Fe, Ru, Os)
Authors: Wang Yong , Ma Xiao , Hu Shengmin , Wen Yuehong , Xue Zhenzhen , Zhu Xiaoquan , Zhang Xudong , Sheng Tianlu , Wu Xintao
Published: October 2014

Four 1D cyanide-bridged complexes [cis-MII(L)2(CN)2FeIII(salen)](PF6) (3–6) have been synthesized, of which3and4are Class II mixed-valence complexes.
Electronic effects of substituents on the stability of the iridanaphthalene compound [IrCp*{C(OMe)CHC(o-C6H4)(Ph)}(PMe3)]PF6
Authors: Talavera M. , Bravo J. , Castro J. , García-Fontán S. , Hermida-Ramón J. M. , Bolaño S.
Published: October 2014

How do the substituents on the naphthalene skeleton affect the stability of the iridanaphthalene complex [IrCp*{C(OMe)CHC(o-C6H4)(Ph)}(PMe3)]PF6?
[Cu(bpy)(P^P)]+ containing light-emitting electrochemical cells: improving performance through simple substitution
Authors: Keller Sarah , Constable Edwin C. , Housecroft Catherine E. , Neuburger Markus , Prescimone Alessandro , Longo Giulia , Pertegás Antonio , Sessolo Michele , Bolink Henk J.
Published: October 2014

Improved luminance and efficiency for copper(i)-containing LECs using [Cu(POP)(6,6′-Me2bpy)][PF6] and [Cu(POP)(6-Mebpy)][PF6].
Nickel oxide encapsulated nitrogen-rich carbon hollow spheres with multiporosity for high-performance pseudocapacitors having extremely robust cycle life
Authors: Kim Se Yun , Jeong Hyung Mo , Kwon Jun Ho , Ock Il Woo , Suh Won Hyuk , Stucky Galen D. , Kang Jeung Ku
Published: October 2014

Nickel oxide-encapsulated hollow carbon nitride spheres with multiporosity show an ∼250% enhancement in capacitance, in addition to their robust cycle life.
Modulation of T-cell receptor functional sensitivity via the opposing actions of protein tyrosine kinases and phosphatases: a mathematical model
Authors: Szomolay Barbara , van den Berg Hugo A.
Published: October 2014

We extend the kinetic proofreading model of TCR triggering to show how phosphatase activity can modulate the TCR's sensitivity and specificity.
Hg(ii) bacterial biouptake: the role of anthropogenic and biogenic ligands present in solution and spectroscopic evidence of ligand exchange reactions at the cell surface
Authors: Thomas Sara Anne , Tong Tiezheng , Gaillard Jean-François
Published: October 2014

XANES spectra reveal a ligand exchange reaction between an aqueous Hg(ii)–organic ligand complex and thiol moieties at theE. colimembrane.
A highly selective ratiometric chemosensor for Ni2+in a quinoxaline matrix
Authors: Goswami Shyamaprosad , Chakraborty Shampa , Adak Monoj Kumar , Halder Sandipan , Quah Ching Kheng , Fun Hoong-Kun , Pakhira Bholanath , Sarkar Sabyasachi
Published: October 2014

The monohydrazone of quinoxaline aldehyde (HOQA) is found to be a ratiometric and colorimetric probe for Ni2+.HOQAshows a remarkable color change from colorless to yellow upon specific and selective binding to nickel.
Brønsted acid-catalyzed synthesis of carbazoles from 2-substituted indoles
Authors: Li Qingjiang , Peng Xiao-Shui , Wong Henry N. C.
Published: October 2014

A simple and efficient approach for the synthesis of disubstituted carbazoles has been developed from o-haloanilines and terminal alkynes using a two-step strategy, namely, Sonogashira coupling and intramolecular cyclization.
Microstructure and mechanical properties of amphiphilic tetrablock copolymer elastomers via RAFT miniemulsion polymerization: influence of poly[styrene-alt-(maleic anhydride)] segments
Authors: Zhan Xiaoli , He Ren , Zhang Qinghua , Chen Fengqiu
Published: October 2014

Tetrablock copolymer elastomers having poly[styrene-alt-(maleic anhydride)] segment (SMA) were synthesized via RAFT miniemulsion polymerization. Different fractions of SMA led to various morphologies and Tgs, affecting the mechaincal properties.
Dextran-based thermo-responsive hemoglobin–polymer conjugates with oxygen-carrying capacity
Authors: Wang Shasha , Yuan Fang , Chen Gaojian , Tu Kehua , Wang Hongjun , Wang Li-Qun
Published: October 2014

Graft copolymer dextran-g-poly(NIPAAm) was synthesized via SET-LRP and covalently attached to bovine hemoglobin to form thermo-responsive protein–polymer conjugates as novel oxygen carriers.
Synthesis of polyaniline via DNAzyme-catalyzed polymerization of aniline
Authors: Shen Wei , Deng Huimin , Gao Zhiqiang
Published: October 2014

Under simple and mild conditions, G-quadruplex DNAzyme-catalyzed oxidation and polymerization of aniline by hydrogen peroxide is achieved in aqueous medium.
Improvement of CdSe quantum dot sensitized solar cells by surface modification of Cu2S nanocrystal counter electrodes
Authors: Park Jeong-Hyun , Kang Sung-Jin , Kim Soojin , Lee Hochun , Lee Jong-Soo
Published: October 2014

We report the improvement of a CdSe quantum-dot-sensitized solar cell (QDSSCs) based on surface modification of Cu2S nanoparticle counter-electrodes (CEs).
Synthesis of n-alkyl terminal halohydrin esters from acid halides and cyclic ethers or thioethers under solvent- and catalyst-free conditions
Authors: Venkatesham Kunuru , Chanti Babu Dokuburra , Bharadwaj Tatipamula Vinay , Bunce Richard A. , Rao Chitturi Bhujanga , Venkateswarlu Yenamandra
Published: October 2014

An efficient and eco-friendly protocol has been developed for the preparation of n-alkyl terminal halohydrin esters under solvent- and catalyst-free conditions in high yields and with a broad substrate scope.
Cross-metathesis approach to produce precursors of nylon 12 and nylon 13 from microalgae
Authors: Ameh Abel Godwin , Oliver Nguyen Kim , Viamajala Sridhar , Varanasi Sasidhar , Yamamoto Kana
Published: October 2014

A new route for the synthesis of nylon 12 and 13 precursors from methyl oleate, the main component of algal and vegetable lipids, is described. The method features use of cross-metathesis that enables synthesis of nylon precursors in fewer steps.
Direct numerical simulations of sedimenting spherical particles at non-zero Reynolds number
Authors: Hamid Adnan , Molina John J. , Yamamoto Ryoichi
Published: October 2014

We performed direct numerical simulations, using a smoothed profile method to investigate the inertial effects on the static and dynamic properties of a sedimenting suspension over a wide range of volume fractions from 0.01 to 0.4.
Microscopic basis for kinetic gating in cytochrome c oxidase: insights from QM/MM analysis
Authors: Goyal Puja , Yang Shuo , Cui Qiang
Published: October 2014

Understanding the mechanism of vectorial proton pumping in biomolecules requires establishing the microscopic basis for the regulation of both thermodynamic and kinetic features of the relevant proton transfer steps.
Nonlocal modeling of granular flows down inclines
Authors: Kamrin Ken , Henann David L.
Published: October 2014

The recently proposed nonlocal granular fluidity model provides a quantitative description of flows of granular media down a rough inclined plane.
Origin of the enhanced photovoltaic characteristics of PbS thin film solar cells processed at near room temperature
Authors: Yeon Deuk Ho , Lee Seung Min , Jo Yeon Hwa , Moon Jooho , Cho Yong Soo
Published: October 2014

An enhanced conversion efficiency of ∼3.1% was achieved for non-colloidal PbS/CdS thin film solar cells with suitable band alignments.
Hierarchically porous anatase TiO2microspheres composed of tiny octahedra with enhanced electrochemical properties in lithium-ion batteries
Authors: Liu Yubin , Lan Tongbin , Zhang Weifeng , Ding Xiaokun , Wei Mingdeng
Published: October 2014

Hierarchical porous anatase TiO2microspheres composed of ultrathin rod-like structures in the radial direction were fabricatedviaa growth model of oriented attachment. They exhibited high rate performance and excellent cycling stability.
Magnetic biopolymer nanogels via biological assembly for vectoring delivery of biopharmaceuticals
Authors: Fan Ming , Yan Jingxuan , Tan Huaping , Miao Yuting , Hu Xiaohong
Published: October 2014

Biopolymer-based nanogels have great potential in the field of tissue regenerative medicine.
Tunable ultrasonic phononic crystal controlled by infrared radiation
Authors: Walker Ezekiel , Reyes Delfino , Rojas Miguel Mayorga , Krokhin Arkadii , Wang Zhiming , Neogi Arup
Published: October 2014

A tunable phononic crystal based ultrasonic filter was designed by stimulating the phase of the polymeric material embedded in a periodic structure using infrared radiation. The acoustic filter can be tuned remotely using thermal stimulation induced by the infrared radiation. The filter is composed of steel cylinder scatterers arranged periodically in a background of bulk poly (N-isopropylacrylamide) polymer hydrogel. The lattice structure creates forbidden bands for certain sets of mechanical waves that cause it to behave as an ultrasonic filter. Since the bandstructure is determined by not only the arrangement of the scatterers but also the physical properties of the materials composing the scatterers and background, modulating either the arrangement or physical properties will alter the effect of the crystal on propagating mechanical waves. Here, the physical properties of the filter are varied by inducing changes in the polymer hydrogel using an electromagnetic thermal stimulus. With particular focus on the k00-wave, the transmission of ultrasonic wave changes by as much as 20 dBm, and band widths by 22% for select bands.
Monitoring equilibrium reaction dynamics of a nearly barrierless molecular rotor using ultrafast vibrational echoes
Authors: Nilsen Ian A. , Osborne Derek G. , White Aaron M. , Anna Jessica M. , Kubarych Kevin J.
Published: October 2014

Using rapidly acquired spectral diffusion, a recently developed variation of heterodyne detected infrared photon echo spectroscopy, we observe ∼3 ps solvent independent spectral diffusion of benzene chromium tricarbonyl (C6H6Cr(CO)3, BCT) in a series of nonpolar linear alkane solvents. The spectral dynamics is attributed to low-barrier internal torsional motion. This tripod complex has two stable minima corresponding to staggered and eclipsed conformations, which differ in energy by roughly half of kBT. The solvent independence is due to the relative size of the rotor compared with the solvent molecules, which create a solvent cage in which torsional motion occurs largely free from solvent damping. Since the one-dimensional transition state is computed to be only 0.03 kBT above the higher energy eclipsed conformation, this model system offers an unusual, nearly barrierless reaction, which nevertheless is characterized by torsional coordinate dependent vibrational frequencies. Hence, by studying the spectral diffusion of the tripod carbonyls, it is possible to gain insight into the fundamental dynamics of internal rotational motion, and we find some evidence for the importance of non-diffusive ballistic motion even in the room-temperature liquid environment. Using several different approaches to describe equilibrium kinetics, as well as the influence of reactive dynamics on spectroscopic observables, we provide evidence that the low-barrier torsional motion of BCT provides an excellent test case for detailed studies of the links between chemical exchange and linear and nonlinear vibrational spectroscopy.
Formation of unique trimer of nitric oxide on Cu(111)
Authors: Shiotari A. , Hatta S. , Okuyama H. , Aruga T.
Published: October 2014

We report that NO molecules unexpectedly prefer a trimeric configuration on Cu(111). We used scanning tunneling microscopy (STM) at 6 K, and confirmed that the NO molecule is bonded to the face-centered-cubic hollow site in an upright configuration. The individual NO molecule is imaged as a ring protrusion, which is characteristic of the doubly degenerate 2π* orbital. A triangular trimer is thermodynamically more favorable than the monomer and dimer, and its bonding structure was characterized by STM manipulation. This unique behavior of NO on Cu(111) is ascribed to the threefold symmetry of the surface, facilitating effective mixing of the 2π* orbitals in a triangular configuration.
Vibronic coupling in asymmetric bichromophores: Theory and application to diphenylmethane-d
5
Authors: Nebgen Benjamin , Slipchenko Lyudmila V.
Published: October 2014

A theoretical model based on Fulton and Gouterman dimer Hamiltonian [J. Chem. Phys. 35, 1059 (1961)] is used to understand the jet cooled spectra of partly deuterated diphenylmethane (DPM-d5), reported in adjoining paper by Zwier and co-workers [“Vibronic coupling in asymmetric bichromophores: Experimental investigation of diphenylmethane-d5,” J. Chem. Phys. 141, 064316 (2014)]. The model is extended to include multiple vibrational modes, vibrational asymmetries between the monomers, and inter-monomer modes. Time dependent density functional theory and equation of motion coupled cluster electronic structure calculations are used to obtain parameters for the model Hamiltonian. The monomer units for DPM-d5 are toluene and partially deuterated toluene-d5. The comparisons of modeled and experimental spectra show that the model captures the vibronic effects on a multitude of observables, including anomalously intense vibrational states, transition dipole moment directions, and localization/delocalization phenomena of both the vibronic and electronic wavefunctions. Following the success of the model, a qualitative picture of vibronic coupling in DPM-d5 is built using only three active vibrations. This illustrates the ability of the model to not just qualitatively predict but also phenomenologically explain the vibronic effects observed in spectra of complex bichromophores.
Tuned range-separated hybrid functionals in the symmetry-adapted perturbation theory
Authors: Hapka Michał , Rajchel Łukasz , Modrzejewski Marcin , Chałasiński Grzegorz , Szczęśniak Małgorzata M.
Published: October 2014

The aim of this study is to present a performance test of optimally tuned long-range corrected (LRC) functionals applied to the symmetry-adapted perturbation theory (SAPT). In the present variant, the second-order energy components are evaluated at the coupled level of theory. We demonstrate that the generalized Kohn-Sham (GKS) description of monomers with optimally tuned LRC functionals may be essential for the quality of SAPT interaction energy components. This is connected to the minimization of a many-electron self-interaction error and exemplified by two model systems: polyacetylenes of increasing length and stretching of ${\rm He}_3^+$ He 3+. Next we provide a comparison of SAPT approaches based on Kohn-Sham and GKS description of the monomers. We show that LRC leads to results better or comparable with the hitherto prevailing asymptotically corrected functionals. Finally, we discuss the advantages and possible limitations of SAPT based on LRC functionals.
Sensitivity of resistive and Hall measurements to local inhomogeneities: Finite-field, intensity, and area corrections
Authors: Koon Daniel W. , Wang Fei , Petersen Dirch Hjorth , Hansen Ole
Published: October 2014

We derive exact, analytic expressions for the sensitivity of sheet resistance and Hall sheet resistance measurements to local inhomogeneities for the cases of nonzero magnetic fields, strong perturbations, and perturbations over a finite area, extending our earlier results on weak perturbations. We express these sensitivities for conductance tensor components and for other charge transport quantities. Both resistive and Hall sensitivities, for a van der Pauw specimen in a finite magnetic field, are a superposition of the zero-field sensitivities to both sheet resistance and Hall sheet resistance. Strong perturbations produce a nonlinear correction term that depends on the strength of the inhomogeneity. Solution of the specific case of a finite-sized circular inhomogeneity coaxial with a circular specimen suggests a first-order correction for the general case. Our results are confirmed by computer simulations on both a linear four-point probe array on a large circular disc and a van der Pauw square geometry. Furthermore, the results also agree well with Náhlík et al. published experimental results for physical holes in a circular copper foil disc.
Functional localization of kinesin/microtubule-based motility system along metallic glass microwires
Authors: Kim K. , Sikora A. , Nakayama K. S. , Nakazawa H. , Umetsu M. , Hwang W. , Teizer W.
Published: October 2014

We report an approach using metallic glass microwires for functional organization of kinesin/microtubule-based molecular motility systems along a quasi-one-dimensional track. The molecular motility system assembled along a metallic glass microwire exhibits the typical kinesin-powered gliding motion of microtubules, while the variance of the gliding direction depends on the wire diameter. As a result of the geometrical boundary condition given by the wire tracks, the angle within which the orientations of gliding microtubules fall becomes narrower for smaller wire diameter. Such behavior supports the feasibility of using microwires as a simple and flexible means of spatial regulation of the molecule-based in-vitro motion. Furthermore, the metallic glass wires interact with microtubules, the negatively charged polyelectrolyte, by creating electric fields. We experimentally demonstrate how the electric field-induced forces act as an additional control parameter in the wire-based manipulation of the molecular motility system.
Electron-electron scattering-induced channel hot electron injection in nanoscale n-channel metal-oxide-semiconductor field-effect-transistors with high-k/metal gate stacks
Authors: Tsai Jyun-Yu , Chang Ting-Chang , Chen Ching-En , Ho Szu-Han , Liu Kuan-Ju , Lu Ying-Hsin , Liu Xi-Wen , Tseng Tseung-Yuen , Cheng Osbert , Huang Cheng-Tung , Lu Ching-Sen
Published: October 2014

This work investigates electron-electron scattering (EES)-induced channel hot electron (CHE) injection in nanoscale n-channel metal-oxide-semiconductor field-effect-transistors (n-MOSFETs) with high-k/metal gate stacks. Many groups have proposed new models (i.e., single-particle and multiple-particle process) to well explain the hot carrier degradation in nanoscale devices and all mechanisms focused on Si-H bond dissociation at the Si/SiO2 interface. However, for high-k dielectric devices, experiment results show that the channel hot carrier trapping in the pre-existing high-k bulk defects is the main degradation mechanism. Therefore, we propose a model of EES-induced CHE injection to illustrate the trapping-dominant mechanism in nanoscale n-MOSFETs with high-k/metal gate stacks.
Low-frequency elastic vibrations of the CsDy(MoO4)2 crystal
Authors: Poperezhai S. M. , Bondar N. S. , Kut′ko V. I. , Kovalev A. S.
Published: October 2014

Using a one-dimensional model of the crystal lattice, the CsDy(MoO4)2 single crystal low-frequency phonon vibrational spectrum, is calculated using previously measured far-infrared (10–10 cm−1) light transmission spectra, in polarized light, at low temperatures (6–40 K). The calculation is done for CsDy(MoO4)2 structures both above and below the temperature of the structural phase transition (TC = 38 K). It is determined that the result of this transition is a change in the phonon vibration and light transmission spectra.
On the origin of dust vortices in complex plasmas under microgravity conditions
Authors: Bockwoldt Tim , Arp Oliver , Menzel Kristoffer Ole , Piel Alexander
Published: October 2014

Under microgravity conditions, microparticles in a radio-frequency plasma form an extended dust cloud. In such clouds, self-excited large-scale vortices are observed. New experimental observations are reported, which exhibit a simple double vortex structure or a more complex quadrupole-like topology. Modeling the fields of the main acting forces, namely, the electric field force and the ion drag force, and calculating the curl of these forces reveal their non-conservative character and the possible driving mechanism of the vortices. It is shown that the curl of the ion drag force and of the electric field force has opposite sign and the combination could thus lead to the complex structures, also found in the observations.
Particle size effects in particle-particle triboelectric charging studied with an integrated fluidized bed and electrostatic separator system
Authors: Bilici Mihai A. , Toth Joseph R. , Sankaran R. Mohan , Lacks Daniel J.
Published: October 2014

Fundamental studies of triboelectric charging of granular materials via particle-particle contact are challenging to control and interpret because of foreign material surfaces that are difficult to avoid during contacting and measurement. The measurement of particle charge itself can also induce charging, altering results. Here, we introduce a completely integrated fluidized bed and electrostatic separator system that charges particles solely by interparticle interactions and characterizes their charge on line. Particles are contacted in a free-surface fluidized bed (no reactor walls) with a well-controlled fountain-like flow to regulate particle-particle contact. The charged particles in the fountain are transferred by a pulsed jet of air to the top of a vertically-oriented electrostatic separator consisting of two electrodes at oppositely biased high voltage. The free-falling particles migrate towards the electrodes of opposite charge and are collected by an array of cups where their charge and size can be determined. We carried out experiments on a bidisperse size mixture of soda lime glass particles with systematically varying ratios of concentration. Results show that larger particles fall close to the negative electrode and smaller particles fall close to the positive electrode, consistent with theory and prior experiments that larger particles charge positively and smaller particles charge negatively. The segregation of particles by charge for one of the size components is strongest when its collisions are mostly with particles of the other size component; thus, small particles segregate most strongly to the negative sample when their concentration in the mixture is small (and analogous results occur for the large particles). Furthermore, we find additional size segregation due to granular flow, whereby the fountain becomes enriched in larger particles as the smaller particles are preferentially expelled from the fountain.
Electric fields enhance miscibility of polystyrene/poly(vinyl methyl ether) blends
Authors: Kriisa Annika , Roth Connie B.
Published: October 2014

How the presence of electric fields alters the miscibility of mixtures has been studied since the 1960s with conflicting reports on both the magnitude and direction of the shift in the phase separation temperature Ts. Theoretical understanding of the phenomenon has been hampered by the lack of experimental data with unambiguously large shifts in Ts outside of experimental error. Here, we address these concerns by presenting data showing that uniform electric fields strongly enhance the miscibility of polystyrene (PS)/poly(vinyl methyl ether) (PVME) blends. Reliable shifts in Ts of up to 13.5 ± 1.4 K were measured for electric fields strengths of E = 1.7 × 107 V/m in a 50/50 PS/PVME mixture. By using a sensitive fluorescence method to measure Ts, the PS/PVME blend can be quenched back into the one phase region of the phase diagram when the domains are still small allowing the blend to be remixed such that Ts can be measured repeatedly on the same sample. In this manner, highly reproducible Ts values at non-zero and zero electric field can be ascertained on the same sample. Our results agree with the vast majority of existing experimental data on various mixtures finding that electric fields enhance miscibility, but are opposite to the one previous study on PS/PVME blends by Reich and Gordon [J. Polym. Sci.: Polym. Phys. Ed. 17, 371 (1979)] reporting that electric fields induce phase separation, a study which has been considered anomalous in the field.
Elastic properties, sp3 fraction, and Raman scattering in low and high pressure synthesized diamond-like boron rich carbides
Authors: Zinin Pavel V. , Liu Yongsheng , Burgess Katherine , Ciston Jim , Jia Ruth , Hong Shiming , Sharma Shiv , Ming Li-Chung
Published: October 2014

Dense BCx phases with high boron concentration are predicted to be metastable, superhard, and conductors or superconductors depending on boron concentration. However, up to this point, diamond-like boron rich carbides BCx (dl-BCx) phases have been thought obtainable only through high pressure and high temperature treatment, necessitating small specimen volume. Here, we use electron energy loss spectroscopy combined with transmission electron microscopy, Raman spectroscopy, surface Brillouin scattering, laser ultrasonics (LU) technique, and analysis of elastic properties to demonstrate that low pressure synthesis (chemical vapor deposition) of BCx phases may also lead to the creation of diamond-like boron rich carbides. The elastic properties of the dl-BCx phases depend on the carbon sp2 versus sp3 content, which decreases with increasing boron concentration, while the boron bonds determine the shape of the Raman spectra of the dl-BCx after high pressure-high temperature treatment. Using the estimation of the density value based on the sp3 fraction, the shear modulus μ of dl-BC4, containing 10% carbon atoms with sp3 bonds, and dl-B3C2, containing 38% carbon atoms with sp3 bonds, were found to be μ = 19.3 GPa and μ = 170 GPa, respectively. The presented experimental data also imply that boron atoms lead to a creation of sp3 bonds during the deposition processes.