bluuebunny/crossref_metadata_2025 huggingface dataset:
Intra‐population variation and geographic correlation in Canthon humectus hidalgoensis using FTIR‐ATR spectroscopy
Authors: Verdú José R. , Gallego Belén , Lobo Jorge M. , Ortiz Antonio J. , Cortez Vieyle , Halffter Gonzalo
Published: September 2014

In some cases external morphology is not sufficient to discern between populations of a species, as occurs in the dung beetle Canthon humectus hidalgoensis Bates; and much less to determine phenotypic distances between them. FTIR‐ATR spectroscopy show several advantages over other identification techniques (e.g. morphological, genetic, and cuticular hydrocarbons analysis) due to the non‐invasive manner of the sample preparation, the relative speed of sample analysis and the low‐cost of this technology. The infrared spectrum obtained is recognized to give a unique ‘fingerprint’ because vibrational spectra are specific and unique to the molecular nature of the sample. In our study, results showed that proteins, amino acids and aromatic ethers of insect exocuticle have promising discriminative power to discern between different populations of C. h. hidalgoensis. Furthermore, the correlation between geographic distances between populations and the chemical distances obtained by proteins + amino acids + aromatic ethers was statistically significant, showing that the spectral and spatial information available of the taxa together with appropriated chemometric methods may help to a better understanding of the identity, structure, dynamics and diversity of insect populations.
Synthesis and Micellization of Organosilicon Gemini Quaternary Ammonium Surfactants
Authors: Li Junying , Yang Pengfei , Sha Zuoliang , Li Tianduo , Liu Yaming
Published: September 2014

A novel class of organosilicon gemini quaternary ammonium surfactant alkyl‐α, ω‐bis(diethyl‐methyl‐dimethoxy‐silopropyl ammonium bromide) (α, ω = 1,4; 1,6; 1,8) was synthesized and characterized by 1H‐nuclear magnetic resonance (NMR) and elemental analysis. It is found that the quaternization reaction has two steps: first single quaternization and then double quaternization. The effect of solvent on convert ratio has the following sequence: polar aprotic solvents > polar protic solvents > aromatic solvents. The electrical conductivity of aqueous solution was measured at 20, 25, 30 and 35 °C, and the thermodynamic properties of , and were calculated according to the mass action model and Gibbs equation. It is shown that the enthalpy driven and entropy driven are almost equal in the micellization of [SiC3‐4‐SiC3]Br2 and [SiC3‐6‐SiC3]Br2, but in the micellization of [SiC3‐8‐SiC3]Br2, the enthalpic contribution becomes significant and the effect of thermal is greater than the degree of order in the micellization.
Resisting Temptation: Gender Differences in Customer Loyalty in the Presence of a More Attractive Alternative
Authors: Melnyk Valentyna
Published: September 2014

Assessing customer's vulnerability to competitive offers and separating loyalty owned by employees versus company-owned loyalty are strategically important for a firm's survival. This paper investigates gender differences in the willingness to forego a more attractive alternative to stay loyal to a particular organisation or employee. Across three experimental studies the results suggest that female and male consumers are willing to forego a more attractive alternative, yet for different objects of loyalty. Whereas females tend to be loyal to individual employees; males concentrate their loyalty at the level of organisations. The paper concludes with several strategic implications for marketing managers with respect to strategic recourse allocation and relationship marketing.
The activation mechanism of the aryl hydrocarbon receptor (AhR) by molecular chaperone HSP90
Authors: Tsuji Noriko , Fukuda Kana , Nagata Yuhtaroh , Okada Hirotaka , Haga Asami , Hatakeyama Shiori , Yoshida Shiho , Okamoto Tomoya , Hosaka Miki , Sekine Kazuhiro , Ohtaka Kei , Yamamoto Soh , Otaka Michiro , Grave Ewa , Itoh Hideaki
Published: September 2014

We used an in situ proximity ligation assay to confirm whether AhR was translocated to the nucleus alone or together with HSP90. HSP90 was co‐localized with AhR after the nuclear translocation. It has been suggested that the ligand‐bound AhR was translocated to the nucleus with HSP90. Activated AhR acts as a transcription factor, as shown by the transcription induction of the gene CYP1A1 8 h after treatment with β‐NF.
The state of routine and emergency obstetric and neonatal care in Southern Province, Zambia
Authors: Owens Lauren , Semrau Katherine , Mbewe Reuben , Musokotwane Kebby , Grogan Caroline , Maine Deborah , Hamer Davidson H.
Published: September 2014

Objective

To evaluate the capacity of health facilities in Southern Province, Zambia, to perform routine obstetric care and emergency obstetric and neonatal care (EmONC).

Methods

Surveys were completed at 90 health centers and 10 hospitals between September 1, 2011, and February 28, 2012. An expanded set of signal functions for routine care and EmONC was used to assess the facilities’ capacity to provide obstetric and neonatal care.

Results

Interviews were completed with 172 health workers. Comprehensive EmONC was available in only six of 10 hospitals; the remaining four hospitals did not perform all basic EmONC signal functions. None of the 90 health centers performed the basic set of EmONC signal functions. Performance of routine obstetric care functions, health worker EmONC training, and facility infrastructure and staffing varied.

Conclusion

Assessment of the indicators for routine care revealed that several low‐cost interventions are currently underused in Southern Province. There is substantial room for improvement in emergency and routine obstetric and neonatal care at the surveyed facilities. Efforts should focus on improving infrastructure and supplies, EmONC training, and adherence to the UN guidelines for routine and emergency obstetric care.
On certain subshifts and their associated monoids
Authors: HAMACHI TOSHIHIRO , KRIEGER WOLFGANG
Published: September 2014

Within a subclass of monoids (with zero) a structural characterization is given of those that are associated to topologically transitive subshifts with Property (A).
K-theory, reality, and duality
Authors: Heard Drew , Stojanoska Vesna
Published: September 2014

We present a new proof of Anderson's result that the realK-theory spectrum is Anderson self-dual up to a fourfold suspension shift; more strongly, we show that the Anderson dual of the complexK-theory spectrumKUisC2-equivariantly equivalent to Σ4KU, whereC2acts by complex conjugation. We give an algebro-geometric interpretation of this result in spectrally derived algebraic geometry and apply the result to calculate 2-primary Gross-Hopkins duality at height 1. From the latter we obtain a new computation of the group of exotic elements of theK(1)-local Picard group.
Frustration in biomolecules
Authors: Ferreiro Diego U. , Komives Elizabeth A. , Wolynes Peter G.
Published: September 2014

Biomolecules are the prime information processing elements of living matter. Most of these inanimate systems are polymers that compute their own structures and dynamics using as input seemingly random character strings of their sequence, following which they coalesce and perform integrated cellular functions. In large computational systems with finite interaction-codes, the appearance of conflicting goals is inevitable. Simple conflicting forces can lead to quite complex structures and behaviors, leading to the concept offrustrationin condensed matter. We present here some basic ideas about frustration in biomolecules and how the frustration concept leads to a better appreciation of many aspects of the architecture of biomolecules, and especially how biomolecular structure connects to function by means of localized frustration. These ideas are simultaneously both seductively simple and perilously subtle to grasp completely. The energy landscape theory of protein folding provides a framework for quantifying frustration in large systems and has been implemented at many levels of description. We first review the notion of frustration from the areas of abstract logic and its uses in simple condensed matter systems. We discuss then how the frustration concept applies specifically to heteropolymers, testing folding landscape theory in computer simulations of protein models and in experimentally accessible systems. Studying the aspects of frustration averaged over many proteins provides ways to infer energy functions useful for reliable structure prediction. We discuss how frustration affects folding mechanisms. We review here how the biological functions of proteins are related to subtle local physical frustration effects and how frustration influences the appearance of metastable states, the nature of binding processes, catalysis and allosteric transitions. In this review, we also emphasize that frustration, far from being always a bad thing, is an essential feature of biomolecules that allows dynamics to be harnessed for function. In this way, we hope to illustrate howFrustrationis a fundamental concept in molecular biology.
Thermal time model ofSolanum sarrachoidesgermination
Authors: del Monte J.P. , Aguado P.L. , Tarquis A.M.
Published: September 2014

A population-based modelling approach was used to predict the occurrence of germination inSolanum sarrachoides(SOLSA) for different treatments. Seeds collected in Toledo (Spain) were exposed to constant temperatures, to temperatures alternating between 10 and 30°C and to gibberellins (GAs; 0, 50, 100, 150 and 1000 ppm) during a 24-h imbibition period. The following parameters were measured: base temperature (Tb), mean thermal time (θT(50)) and the standard deviation of thermal time (σθT). The SOLSA seeds only germinated at constant temperatures when the highest GA concentration was applied. The thermal model suggests that the induction and loss of physiological dormancy following seed dispersal is achieved when temperatures vary and when a mean thermal time of 66 growing degree-days (d°C) and aTbvalue of 16°C are achieved when no GA treatment was added. The concentration of GA applied under conditions of alternating temperatures has an additive effect, reducing θT(50) up to threefold, from basal level (66 d°C) to 19.40 d°C, when the 1000 ppm GA treatment was applied. In this last case, the germination was accelerated by reducingTbto 14°C. A 5–10°C change in temperature and a range of average temperatures of 20–27.5°C promoted the germination of SOLSA seeds to the greatest extent in the absence of GA. However, these conditions are not frequently encountered in the irrigated areas of the studied region; this finding could explain the limited ability of SOLSA to expand its range within this area.
Pulmonary vasodilator therapy and early postoperative outcome after modified Fontan operation
Authors: Mendoza Alberto , Albert Leticia , Belda Sylvia , Casanueva Lidia , Herrera Dolores , Granados Miguel A. , Velasco José M. , García Enrique , Aguilar Juan M. , Comas Juan V.
Published: September 2014

Although mortality is low after the modified Fontan procedure, there is a significant percentage of patients with prolonged postoperative recovery. The objective of this study is to evaluate the usefulness of postoperative administration of oral sildenafil and inhaled nitric oxide on early postoperative outcome.

A prospective interventional and comparison study with a historical cohort was conducted. Between January, 2010 and March, 2013, 16 patients received oral sildenafil during immediate modified Fontan postoperative period. Inhaled nitric oxide was also administered if the patient was kept intubated 12 hours after surgery. Early postoperative outcome was compared with a historical cohort of 32 patients on whom the modified Fontan procedure was performed between March, 2000 and December, 2009.

Postoperative administration of sildenafil and nitric oxide had no influence on early postoperative outcome after the modified Fontan procedure in terms of duration of pleural effusions, mechanical ventilation time, length of stay in the ICU, and length of hospital stay.
Natural disasters, migration and education: an empirical analysis in developing countries
Authors: Drabo Alassane , Mbaye Linguère Mously
Published: September 2014

This paper aims to assess the effect of natural disasters closely related to climate change on migration rates in developing countries, observing how this effect varies according to the level of education. We investigate this relationship by using panel data that measure international migration from developing countries to the main OECD destination countries. Estimations are made with a pair-country fixed effects estimator. The results show that natural disasters are positively associated with emigration rates. Furthermore, we show that natural disasters may exacerbate the brain drain in developing countries when they are at their most vulnerable and need greater support from skilled workers. We also find that the effect of natural disasters on migration varies depending on the geographical location of countries, as well as according to the type of disaster.
A Brief Description of the Collection of Rawlinson Papers at the Royal Asiatic Society
Authors: PARSONS ROGER
Published: September 2014

The contents of the Rawlinson papers have now been sorted into a meaningful order and the contents listed, this note contains a brief description of its contents, in order to make clear what it does and does not contain. Henry Creswicke Rawlinson (1810–1895) is mainly remembered as a pioneer in the decipherment of cuneiform scripts but it will be seen from the documents in the collection that his interests covered a rather wider range of topics.
Discretion on the Frontline: The Street Level Bureaucrat in English Statutory Homelessness Services
Authors: Alden Sarah
Published: September 2014

This article employs Michael Lipsky's street level bureaucrat conceptual framework to explore the exercise of discretion in frontline homelessness service delivery. It is the first to apply Lipsky's model to English homelessness services at the outset, and builds on earlier investigations which have uncovered how the use of illegitimate discretion can potentially lead to detrimental outcomes for service users affected by homelessness. This topic is particularly salient in light of the current politically austere climate, whereby statutory homelessness services have experienced an increase in service users, yet resources, if anything, are declining. Interview findings from twelve local authorities found evidence of unlawful discretion, which was attributed to a complex mesh of individual, intersubjective, organisational and central-led factors. However, the use of negative discretion was chiefly underpinned by higher level pressures around resource scarcity and strict targets.
Presize: an approach for precise estimation of core collection size using the Similarity Elimination (SimEli) method
Authors: Krishnan R. Ramesh , Bindroo B. B. , Naik V. Girish
Published: September 2014

Core collections are the integral part of biotechnology-aided modern-day crop improvement programmes and utilized for a variety of applications including conventional plant breeding, association mapping, resequencing, among others. Since their advent, determination of core collection size has been based on the size of the whole collection. In this study, we precisely estimated the size of the core collection based on the diversity of the whole collection using the Similarity Elimination method. For each of the elimination cycle, allele retention and pairwise and mean genetic distances were calculated and used as the criteria for the precise estimation of the core collection size. We sampled a coconut core collection with 266 entries by retaining the diversity of the whole collection. During the elimination process, accessions with very rare alleles were eliminated first when compared with those having rare and common alleles. Therefore, our results support the hypothesis that the less frequent alleles seldom contribute to the genetic distance when compared with common alleles. In conclusion, presize can be efficiently utilized in any crop for the precise estimation of core collection size.
STALNAKER’S THESIS IN CONTEXT
Authors: BACON ANDREW
Published: September 2014

In this paper I present a precise version of Stalnaker’s thesis and show that it is both consistent and predicts our intuitive judgments about the probabilities of conditionals. The thesis states that someone whose total evidence is E should have the same credence in the proposition expressed by ‘if A then B’ in a context where E is salient as they have conditional credence in the proposition B expresses given the proposition A expresses in that context. The thesis is formalised rigorously and two models are provided that demonstrate that the new thesis is indeed tenable within a standard possible world semantics based on selection functions. Unlike the Stalnaker–Lewis semantics the selection functions cannot be understood in terms of similarity. A probabilistic account of selection is defended in its place.

I end the paper by suggesting that this approach overcomes some of the objections often levelled at accounts of indicatives based on the notion of similarity.
Comparative genomics reveals surprising divergence of two closely related strains of uncultivated UCYN-A cyanobacteria
Authors: Bombar Deniz , Heller Philip , Sanchez-Baracaldo Patricia , Carter Brandon J , Zehr Jonathan P
Published: September 2014

Marine planktonic cyanobacteria capable of fixing molecular nitrogen (termed ‘diazotrophs’) are key in biogeochemical cycling, and the nitrogen fixed is one of the major external sources of nitrogen to the open ocean. Candidatus Atelocyanobacterium thalassa (UCYN-A) is a diazotrophic cyanobacterium known for its widespread geographic distribution in tropical and subtropical oligotrophic oceans, unusually reduced genome and symbiosis with a single-celled prymnesiophyte alga. Recently a novel strain of this organism was also detected in coastal waters sampled from the Scripps Institute of Oceanography pier. We analyzed the metagenome of this UCYN-A2 population by concentrating cells by flow cytometry. Phylogenomic analysis provided strong bootstrap support for the monophyly of UCYN-A (here called UCYN-A1) and UCYN-A2 within the marine Crocosphaera sp. and Cyanothece sp. clade. UCYN-A2 shares 1159 of the 1200 UCYN-A1 protein-coding genes (96.6%) with high synteny, yet the average amino-acid sequence identity between these orthologs is only 86%. UCYN-A2 lacks the same major pathways and proteins that are absent in UCYN-A1, suggesting that both strains can be grouped at the same functional and ecological level. Our results suggest that UCYN-A1 and UCYN-A2 had a common ancestor and diverged after genome reduction. These two variants may reflect adaptation of the host to different niches, which could be coastal and open ocean habitats.
Unexpected structure for the N-terminal domain of hepatitis C virus envelope glycoprotein E1
Authors: El Omari Kamel , Iourin Oleg , Kadlec Jan , Sutton Geoff , Harlos Karl , Grimes Jonathan M. , Stuart David I.
Published: September 2014

Hepatitis C virus (HCV) infection remains a major health problem worldwide. HCV entry into host cells and membrane fusion are achieved by two envelope glycoproteins, E1 and E2. We report here the 3.5-Å resolution crystal structure of the N-terminal domain of the HCV E1 ectodomain, which reveals a complex network of covalently linked intertwined homodimers that do not harbour the expected truncated class II fusion protein fold.
Cyclic precipitation variation on the western Loess Plateau of China during the past four centuries
Authors: Tan Liangcheng , An Zhisheng , Huh Chih-An , Cai Yanjun , Shen Chuan-Chou , Shiau Liang-Jian , Yan Libin , Cheng Hai , Edwards R. Lawrence
Published: September 2014

Precipitation variation on the Loess Plateau (LP) of China is not only important for rain-fed agriculture in this environmentally sensitive region, but also critical for the water and life securities over the whole Yellow River basin. Here we reconstruct high resolution precipitation variation on the western LP during the past 370 years by using two replicated, annually-laminated stalagmites. Spatial analysis suggests that the reconstruction can be also representative for the whole LP region. The precipitation variations show a significant quasi-50 year periodicity during the last 370 years and have an important role in determining the runoff of the middle Yellow River. The main factor controlling the decadal scale variations and long-term trend in precipitation over this region is southerly water vapour transport associated with the Asian summer monsoon. The Pacific Decadal Oscillation is also an important influence on precipitation variation in this region, as it can affect the East Asian summer monsoon and the West Pacific Subtropical High.
Real Time Ligand-Induced Motion Mappings of AChBP and nAChR Using X-ray Single Molecule Tracking
Authors: Sekiguchi Hiroshi , Suzuki Yasuhito , Nishino Yuri , Kobayashi Suzuko , Shimoyama Yoshiko , Cai Weiyan , Nagata Kenji , Okada Masato , Ichiyanagi Kouhei , Ohta Noboru , Yagi Naoto , Miyazawa Atsuo , Kubo Tai , Sasaki Yuji C.
Published: September 2014

We observed the dynamic three-dimensional (3D) single molecule behaviour of acetylcholine-binding protein (AChBP) and nicotinic acetylcholine receptor (nAChR) using a single molecule tracking technique, diffracted X-ray tracking (DXT) with atomic scale and 100 μs time resolution. We found that the combined tilting and twisting motions of the proteins were enhanced upon acetylcholine (ACh) binding. We present the internal motion maps of AChBP and nAChR in the presence of either ACh or α-bungarotoxin (αBtx), with views from two rotational axes. Our findings indicate that specific motion patterns represented as biaxial angular motion maps are associated with channel function in real time and on an atomic scale.
Mechanical strain can switch the sign of quantum capacitance from positive to negative
Authors: Hanlumyuang Yuranan , Li Xiaobao , Sharma Pradeep
Published: September 2014

Quantum capacitance is a fundamental quantity that can directly reveal many-body interactions among electrons and is expected to play a critical role in nanoelectronics.
Brönsted acidic ionic liquid-catalyzed conversion of hemicellulose into sugars
Authors: Matsagar Babasaheb M. , Dhepe Paresh L.
Published: September 2014

Brönsted acidic ionic liquids were synthesized, characterized and used in the conversion of assorted hemicelluloses to yield C5 sugars in 87% yield.
Wafer-scale fabrication of glass-FEP-glass microfluidic devices for lipid bilayer experiments
Authors: Bomer Johan G. , Prokofyev Alexander V. , van den Berg Albert , Le Gac Séverine
Published: September 2014

We report a wafer-scale fabrication process for the production of glass-FEP-glass microdevices using UV-curable adhesive (NOA81) as gluing material, which is applied on the glass substrates using an original “spin & roll” approach.
Recent advances in antireflective surfaces based on nanostructure arrays
Authors: Cai Jinguang , Qi Limin
Published: September 2014

This review summarizes recent advances in the fabrication, performance, and applications of antireflective surfaces based on nanostructure arrays (NSAs) of silicon and non-silicon materials. The remaining challenges in NSA-based antireflective surfaces are also discussed.
In situ carbonization of a soft-template to directly synthesize crystalline mesoporous metal oxides with high surface areas
Authors: Guo Limin , Ida Shintaro , Daio Takashi , Hagiwara Hidehisa , Ishihara Tatsumi
Published: September 2014

High-surface-area crystalline mesoporous tantalum oxide has been successfully synthesized using a pluronic tri-block polymer as the template.
Synthesis, gelation and topochemical polymerization of meta-linked oligophenylenebutadiynylene derivatives
Authors: Levesque Isabelle , Rondeau-Gagné Simon , Néabo Jules Roméo , Morin Jean-François
Published: September 2014

Rational design ofmeta-linked oligophenylbutadiynylene (OPBD) derivatives was conducted in order to gain insight into their gelation properties and reactivity toward topochemical polymerization to yield polydiacetylenes (PDAs).
Recent advances in thermoelectric materials and solar thermoelectric generators – a critical review
Authors: Sundarraj Pradeepkumar , Maity Dipak , Roy Susanta Sinha , Taylor Robert A.
Published: September 2014

Thermoelectric materials have been extensively used in space satellites, automobiles, and, more recently, in solar thermal application as power generators. Solar thermoelectric generators (STEGs) have enjoyed rapidly improving efficiency in recent years in both concentrated and non-concentrated systems. However, there is still a critical need for further research and development of their materials and systems design before this technology can deployed for large-scale power generation.
Immobilization of helicene onto carbon substrates through electropolymerization of [7]helicenyl-thiophene
Authors: Hrbac J. , Storch J. , Halouzka V. , Cirkva V. , Matejka P. , Vacek J.
Published: September 2014

In this work, monomeric 3-([7]helicen-9-yl)thiophene was synthesized and used for the preparation of a polymeric film by electrosynthesis.
Formation of well-ordered finger-like structures on pre-cast thin films
Authors: Sun Wei , Yang Fuqian
Published: September 2014

In this work, we developed a simple method to construct well-ordered finger-like structures on pre-cast polymer films for the first time.
Facile hydrothermal selective fabrication of Ni(OH)2 and Ni(HCO3)2 nanoparticulates and their electrochemical performances
Authors: Yan Yinan , Cheng Gang , Wang Ping , He Dannong , Chen Rong
Published: September 2014

Cone-like and flower-like nickel hydroxide and sphere-like nickel bicarbonate were synthesized via a simple hydrothermal route by varying the amount of urea without using any surfactants or additives.
The suitability of Ce3+-modified ZnO photocatalyst for the mineralization of monochlorophenol isomers in sunlight exposure
Authors: Aslam Mohammad , Ismail Iqbal M. I. , Chandrasekaran Sivaraman , Almeelbi Talal , Hameed Abdul
Published: September 2014

The photocatalytic activity of Ce3+-modified hexagonal ZnO for the degradation/mineralization of monochlorophenol isomers (2-chlorophenol, 3-chlorophenol and 4-chlorophenol), in natural sunlight exposure, is reported.
One-pot solvent-free reductive amination with a solid ammonium carbamate salt from CO2and amine
Authors: Kang Philjun , Lee Kyu Myung , Lee Won Koo , Lee Kyu Hyung , Lee Byeongno , Cho Jaeheung , Hur Nam Hwi
Published: September 2014

Many amines are liquid and their handling is inconvenient compared with the corresponding solids.
Chemiresistive metal-stabilized thiyl radical films as highly selective ethylene sensors
Authors: Chauhan Rajat , Moreno Monica , Banda Douglas M. , Zamborini Francis P. , Grapperhaus Craig A.
Published: September 2014

A highly selective chemiresistive ethylene sensor based on reversible and selective ligand-centered substrate binding to a metal-stabilized thiyl radical.
A green approach for the production of biodiesel from fatty acids of corn deodorizer distillate
Authors: Naz Saba , Kara Huseyin , Sherazi Syed Tufail Hussain , Aljabour Abdalaziz , Talpur Farah Naz
Published: September 2014

A novel alginic acid derived tin catalyst, tin alginate (Sn–Alg), was successfully synthesized, characterized and applied for methyl esterification.
Investigation of hydrogen bonding patterns in a series of multi-component molecular solids formed by tetrabromoterephthalic acid with selected N-heterocycles
Authors: Wang Lei , Hu Yanjing , Xu Wenyan , Pang Yanyan , Liu Faqian , Yang Yu
Published: September 2014

Hydrogen bonding patterns in a series of multi-component molecules constructed by tetrabromoterephthalic acid with N-heterocycles are discussed in this study.
Monodisperse amorphous CuB23 alloy short nanotubes: novel efficient catalysts for Heck coupling of inactivated alkyl halides and alkenes
Authors: Yang Fan , Fu Shi Yan , Chu Wei , Li Chun , Tong Dong Ge
Published: September 2014

CuB23 short nanotubes are efficient catalysts to replace Pd and Ni for Heck-type coupling of inactivated alkyl halides and alkenes.
Highly effective in-depth dewatering of excess sludge using methanol
Authors: Yang Xue , Wang Li , Zhang Chen , Zou Weiguo , Tan Xuejun , Liu Xiang , Wan Chunli , Wang XingZu
Published: September 2014

In-depth dewatering of excess sludge facilitates cost reduction of wastewater treatment plants, and makes final disposal of sludge more economically feasible.
Electrochemical study of a nonheme Fe(ii) complex in the presence of dioxygen. Insights into the reductive activation of O2at Fe(ii) centers
Authors: Ségaud Nathalie , Anxolabéhère-Mallart Elodie , Sénéchal-David Katell , Acosta-Rueda Laura , Robert Marc , Banse Frédéric
Published: September 2014

An original mechanistic study of the reaction of [(L)FeII]2+(L = TPEN) with dioxygen has been carried out by cyclic voltammetry. Electrochemical data of intermediates [(L)FeIV(O)]2+, [(L)FeIII(OOH)]2+and [(L)FeIII(OO)]+are reported. Reaction mechanism between this FeIIcomplex and O2under reductive conditions is determined.
Azidophenyl as a click-transformable redox label of DNA suitable for electrochemical detection of DNA–protein interactions
Authors: Balintová Jana , Špaček Jan , Pohl Radek , Brázdová Marie , Havran Luděk , Fojta Miroslav , Hocek Michal
Published: September 2014

A new azido-based DNA redox label which can be transformed into nitrophenyltriazole by a CuAAC click reaction was developed. It was used for the mapping of DNA–protein interactions with electrochemical detection.
Hierarchically porous organic polymers: highly enhanced gas uptake and transport through templated synthesis
Authors: Chakraborty Sanjiban , Colón Yamil J. , Snurr Randall Q. , Nguyen SonBinh T.
Published: September 2014

Hierarchically porous POPs with highly enhanced gas uptake and transport properties were obtained through polymerization within a monolithic mesoporous template.
Tunable electrical conductivity in oriented thin films of tetrathiafulvalene-based covalent organic framework
Authors: Cai Song-Liang , Zhang Yue-Biao , Pun Andrew B. , He Bo , Yang Jinhui , Toma Francesca M. , Sharp Ian D. , Yaghi Omar M. , Fan Jun , Zheng Sheng-Run , Zhang Wei-Guang , Liu Yi
Published: September 2014

Preorganization in a covalent organic framework leads to the generation of a more conductive mixed-valence state upon doping.
Macromolecular prodrugs of ribavirin: towards a treatment for co-infection with HIV and HCV
Authors: Smith Anton A. A. , Zuwala Kaja , Kryger Mille B. L. , Wohl Benjamin M. , Guerrero-Sanchez Carlos , Tolstrup Martin , Postma Almar , Zelikin Alexander N.
Published: September 2014

Macromolecular prodrugs of ribavirin were developed as blood safe formulations with capacity to fight inflammation and human immunodeficiency virus in vitro.
How does growth hormone releasing hexapeptide self-assemble in nanotubes?
Authors: Santana Héctor , Avila Cesar L. , Cabrera Ingrid , Páez Rolando , Falcón Viviana , Pessoa Adalberto , Ventosa Nora , Veciana Jaume , Itri Rosangela , Souza Barbosa Leandro Ramos
Published: September 2014

Growth hormone releasing peptide-6 self-assembles into long hollow-cylinders, as evidenced by electron microscopy, small-angle X-ray scattering and molecular dynamics simulations.
Hydrothermal synthesis, structure refinement, and electrochemical characterization of Li2CoGeO4 as an oxygen evolution catalyst
Authors: McDonald Kenneth J. , Zhang Ruigang , Ling Chen , Zhou Li Qin , Zhang Ruibo , Whittingham M. Stanley , Jia Hongfei
Published: September 2014

We report hydrothermal synthesis and structural refinement of Li2CoGeO4, as well as its use as a catalyst for oxygen evolution reaction.
Theoretical design of MoO3-based high-rate lithium ion battery electrodes: the effect of dimensionality reduction
Authors: Li Fengyu , Cabrera Carlos R. , Chen Zhongfang
Published: September 2014

By means of density functional theory computations, we systematically investigated the behavior of lithium (Li) adsorption and diffusion on MoO3with different dimensions: including three-dimensional (3D) bulk, two-dimensional (2D) double-layer, 2D monolayer and one-dimensional (1D) nanoribbons.
Theory - Still King but Needing a Revolution!
Authors: Gregor Shirley
Published: September 2014

This commentary responds to Avison and Malaurent's (A&M) interesting perspective on the role of theory in qualitative articles published in information systems journals. A&M raise valid concerns with journal norms in respect to acceptance of novelty, tolerance for triviality, possibly unethical behaviour, and, implicitly, accepted epistemological practices for theorizing and theory development. Although I share many of their concerns about journal practice, I have serious concerns that readers will view their paper as attacking theory-in-itself despite the authors’ protestations they are not doing so. The guidelines they advance could promote the idea that theory-free articles are acceptable, which I see as a dangerous path for our field. I believe we should be focusing more on the theorizing process and underlying epistemological issues. In this way, we can view and justify new and surprising ideas and interesting empirical findings in single articles against a backdrop of ongoing theory development in the field as a whole.
Photonuclear reaction based high-energy x-ray spectrometer to cover from 2 MeV to 20 MeV
Authors: Sakata S. , Arikawa Y. , Kojima S. , Ikenouchi T. , Nagai T. , Abe Y. , Inoue H. , Morace A. , Utsugi M. , Kato R. , Nishimura H. , Nakai M. , Shiraga H. , Fujioka S. , Azechi H.
Published: September 2014

A photonuclear-reaction-based hard x-ray spectrometer is developed to measure the number and energy spectrum of fast electrons generated by interactions between plasma and intense laser light. In this spectrometer, x-rays are converted to neutrons through photonuclear reactions, and the neutrons are counted with a bubble detector that is insensitive to x-rays. The spectrometer consists of a bundle of hard x-ray detectors that respond to different photon-energy ranges. Proof-of-principle experiment was performed on a linear accelerator facility. A quasi-monoenergetic electron bunch (Ne = 1.0 × 10−6 C, Ee = 16 ± 0.32 MeV) was injected into a 5-mm-thick lead plate. Bremsstrahlung x-rays, which emanate from the lead plate, were measured with the spectrometer. The measured spectral shape and intensity agree fairly well with those computed with a Monte Carlo simulation code. The result shows that high-energy x-rays can be measured absolutely with a photon-counting accuracy of 50%–70% in the energy range from 2 MeV to 20 MeV with a spectral resolution (Δhν/hν) of about 15%. Quantum efficiency of this spectrometer was designed to be 10−7, 10−4, 10−5, respectively, for 2–10, 11–15, and 15–25 MeV of photon energy ranges.
Evaluation of the toroidal torque driven by external non-resonant non-axisymmetric magnetic field perturbations in a tokamak
Authors: Kasilov Sergei V. , Kernbichler Winfried , Martitsch Andreas F. , Maassberg Henning , Heyn Martin F.
Published: September 2014

The toroidal torque driven by external non-resonant magnetic perturbations (neoclassical toroidal viscosity) is an important momentum source affecting the toroidal plasma rotation in tokamaks. The well-known force-flux relation directly links this torque to the non-ambipolar neoclassical particle fluxes arising due to the violation of the toroidal symmetry of the magnetic field. Here, a quasilinear approach for the numerical computation of these fluxes is described, which reduces the dimension of a standard neoclassical transport problem by one without model simplifications of the linearized drift kinetic equation. The only limiting condition is that the non-axisymmetric perturbation field is small enough such that the effect of the perturbation field on particle motion within the flux surface is negligible. Therefore, in addition to most of the transport regimes described by the banana (bounce averaged) kinetic equation also such regimes as, e.g., ripple-plateau and resonant diffusion regimes are naturally included in this approach. Based on this approach, a quasilinear version of the code NEO-2 [W. Kernbichler et al., Plasma Fusion Res. 3, S1061 (2008).] has been developed and benchmarked against a few analytical and numerical models. Results from NEO-2 stay in good agreement with results from these models in their pertinent range of validity.
The S curve of energy storage by melting
Authors: Bejan A. , Ziaei S. , Lorente S.
Published: September 2014

This is a treatment of the phenomenon of energy storage by melting in an enclosure where the heating is provided by an invading line of higher temperature. We show that the melting process consists of two phases: “invasion” thermal diffusion along the invading line, which is followed by “consolidation” as heat diffuses perpendicularly to the invading line. We report the duration of both phases and the evolution of the melt layer around the invading line during the two-dimensional and three-dimensional invasion. The amount of melted material increases in time according to a curve shaped as an S. Diffusion sweeps the territory faster as the complexity of the tree design increases meaning the S-curve of the history of the process becomes steeper.
On some classes of nonstationary axially symmetric solutions to the Navier-Stokes equations
Authors: Rabinowitch Alexander S.
Published: September 2014

In the paper, the Navier-Stokes equations are studied in axially symmetric cases of nonstationary motion with rotation of incompressible viscous fluids. The problem is reduced to a nonlinear system of three partial differential equations for three unknown functions of the cylindrical coordinates r and z and time t. The three functions are sought in the form of power series in r with coefficients depending on t and z. For the unknown coefficients recurrence relations are obtained which contain three arbitrary functions. The relations are examined in three particular cases in which they give analytical solutions to the Navier-Stokes equations for any values of the coordinates t, z, and r.
Pullback transformation in gyrokinetic electromagnetic simulations
Authors: Mishchenko Alexey , Könies Axel , Kleiber Ralf , Cole Michael
Published: September 2014

It is shown that a considerable mitigation of the cancellation problem can be achieved by a slight modification of the simulation scheme. The new scheme is verified, simulating a Toroidal Alfvén Eigenmode in tokamak geometry at low perpendicular mode numbers, the so-called “MHD limit.” Also, an electromagnetic drift mode has been successfully simulated in a stellarator.
In silico studies of the properties of water hydrating a small protein
Authors: Sinha Sudipta Kumar , Jana Madhurima , Chakraborty Kausik , Bandyopadhyay Sanjoy
Published: September 2014

Atomistic molecular dynamics simulation of an aqueous solution of the small protein HP-36 has been carried out with explicit solvent at room temperature. Efforts have been made to explore the influence of the protein on the relative packing and ordering of water molecules around its secondary structures, namely, three α-helices. The calculations reveal that the inhomogeneous water ordering and density distributions around the helices are correlated with their relative hydrophobicity. Importantly, we have identified the existence of a narrow relatively dehydrated region containing randomly organized “quasi-free” water molecules beyond the first layer of “bound” waters at the protein surface. These water molecules with relatively weaker binding energies form the transition state separating the “bound” and “free” water molecules at the interface. Further, increased contribution of solid-like caging motions of water molecules around the protein is found to be responsible for reduced fluidity of the hydration layer. Interestingly, we notice that the hydration layer of helix-3 is more fluidic with relatively higher entropy as compared to the hydration layers of the other two helical segments. Such characteristics of helix-3 hydration layer correlate well with the activity of HP-36, as helix-3 contains the active site of the protein.
Jeans stability in collisional quantum dusty magnetoplasmas
Authors: Jamil M. , Mir Zahid , Asif M. , Salimullah M.
Published: September 2014

Jeans instability is examined in detail in uniform dusty magnetoplasmas taking care of collisional and non-zero finite thermal effects in addition to the quantum characteristics arising through the Bohm potential and the Fermi degenerate pressure using the quantum hydrodynamic model of plasmas. It is found that the presence of the dust-lower-hybrid wave, collisional effects of plasma species, thermal effects of electrons, and the quantum mechanical effects of electrons have significance over the Jeans instability. Here, we have pointed out a new class of dissipative instability in quantum plasma regime.
Momentum transfer driven textural changes of CeO2 thin films
Authors: Van Steenberge S. , Leroy W. P. , Hubin A. , Depla D.
Published: September 2014

The influence of the target erosion depth on the film texture was investigated during DC reactive magnetron sputter deposition of CeO2 thin films. Three fluxes towards the substrate surface (the relative negative oxygen ion flux, the material flux, and the energy flux) were measured and related to the ongoing erosion of a cerium target. As the deposition rate increased for more eroded targets, both the energy flux and the negative ion flux decreased. Cerium oxide thin films that were deposited at different target erosion states, exhibited a change in preferential crystalline orientation from [200] to [111]. This textural change cannot be explained in terms of the energy per arriving atom concept. Instead, it is shown that the momentum of the high energetic negative ions is an essential condition to clarify the witnessed trends.
Origins of optical absorption and emission lines in AlN
Authors: Yan Qimin , Janotti Anderson , Scheffler Matthias , Van de Walle Chris G.
Published: September 2014

To aid the development of AlN-based optoelectronics, it is essential to identify the defects that cause unwanted light absorption and to minimize their impact. Using hybrid functional calculations, we investigate the role of native defects and their complexes with oxygen, a common impurity in AlN. We find that Al vacancies are the source of the absorption peak at 3.4 eV observed in irradiated samples and of the luminescence signals at 2.78 eV. The absorption peak at ∼4.0 eV and higher, and luminescence signals around 3.2 and 3.6 eV observed in AlN samples with high oxygen concentrations are attributed to complexes of Al vacancies and oxygen impurities. We also propose a transition involving Al and N vacancies and oxygen impurities that may be a cause of the absorption band peaked at 2.9 eV.
Biogeographic variation in evergreen conifer needle longevity and impacts on boreal forest carbon cycle projections
Authors: Reich Peter B. , Rich Roy L. , Lu Xingjie , Wang Ying-Ping , Oleksyn Jacek
Published: September 2014

Significance

How evergreen tree needle longevity varies from south to north in the boreal biome is poorly quantified and therefore ignored in vegetation and earth system models. This is problematic, because needle longevity translates directly into needle turnover rate and profoundly affects carbon cycling in both nature and computer models. Herein we present data for five widespread boreal conifers, including pines and spruces, from >125 sites along a 2,000-km gradient. For each species, individuals in colder, more northern environments had longer needle life span, highlighting its importance to evergreen ecological success. Incorporating biogeography of needle longevity into a global model improved predictions of forest productivity and carbon cycling and identified specific problems for models that ignore such variability.
Tectonic-driven climate change and the diversification of angiosperms
Authors: Chaboureau Anne-Claire , Sepulchre Pierre , Donnadieu Yannick , Franc Alain
Published: September 2014

Significance

Angiosperm range expansion and diversification have been major biotic upheavals in the Earth history. Mechanisms involved in their successful diversification have mainly called upon intrinsic processes at the plant level, leaving the influence of the global tectonics poorly explored. We investigate evolution of paleogeography and climate and correlate it with the diversification of angiosperms by using a general circulation model. We show that Pangea breakup induced an important expansion of temperate zones during the late Cretaceous which was concomitant to the rise of angiosperms. We suggest that the breakup of Pangea led to the onset of new humid bioclimatic continents, which in turn may have provided new external conditions for ecological expansion of the angiosperms and their diversification.
Natural selection on thermal performance in a novel thermal environment
Authors: Logan Michael L. , Cox Robert M. , Calsbeek Ryan
Published: September 2014

Significance

Tropical ectotherms are considered especially vulnerable to climate change because they have narrow thermal tolerance ranges, such that even small increases in environmental temperature are likely to be detrimental. Although evolutionary adaptation may prevent extinction, it is unclear whether climate change generates selection on thermal physiology in nature or whether the strength of this selection is sufficient for rapid evolution to occur. When we transplanted lizards from their preferred habitat to a warmer and more thermally variable site, strong natural selection favored individuals that ran faster at warmer temperatures and across a broader range of temperatures. If thermal performance traits are heritable, some tropical species may be capable of rapid evolutionary adaptation to changing climates.
Neural and cognitive characteristics of extraordinary altruists
Authors: Marsh Abigail A. , Stoycos Sarah A. , Brethel-Haurwitz Kristin M. , Robinson Paul , VanMeter John W. , Cardinale Elise M.
Published: September 2014

Significance

Altruism, and particularly costly altruism toward strangers, such as altruistic kidney donation, represents a puzzling phenomenon for many fields of science, including evolutionary biology, psychology, and economics. How can such behavior be explained? The propensity to engage in costly altruism varies widely and may be genetically mediated, but little is known about the neural mechanisms that support it. We used structural and functional brain imaging to compare extraordinary altruists, specifically altruistic kidney donors, and controls. Altruists exhibited variations in neural anatomy and functioning that represent the inverse of patterns previously observed in psychopaths, who are unusually callous and antisocial. These findings suggest extraordinary altruism represents one end of a caring continuum and is supported by neural mechanisms that underlie social and emotional responsiveness.
Single-molecule investigation of G-quadruplex folds of the human telomere sequence in a protein nanocavity
Authors: An Na , Fleming Aaron M. , Middleton Eric G. , Burrows Cynthia J.
Published: September 2014

Significance

The bacterial protein α-hemolysin (α-HL) can form a mushroom-shaped ion channel by self-assembling across a lipid bilayer, allowing capture of a single DNA molecule inside its nanometer-scale vestibule in an electric field. Interactions between the protein nanocavity and DNA molecules generate characteristic current signals that reveal structural information. We harnessed such analytical power to investigate various G-quadruplex conformations adopted by the human telomeric sequence, namely hybrid, basket, and propeller folds that are formed under different physical conditions. Results presented here demonstrate the ability of α-HL to distinguish these G-quadruplexes based on their overall shapes and sizes and also to monitor their unraveling kinetics at different locations in the protein channel, expanding the applicability of the nanopore technology.