bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Quantitative View of Charge Transfer in the Hydrogen Bond: The Water Dimer Case
Authors: Ronca Enrico , Belpassi Leonardo , Tarantelli Francesco 
Published: July 2014

AbstractThe hydrogen bond represents a fundamental intermolecular interaction that binds molecules in vapor and liquid water. A crucial and debated aspect of its electronic structure and chemistry is the charge transfer (CT) accompanying it. Much effort has been devoted, in particular, to the study of the smallest prototype system, the water dimer, but even here results and interpretations differ widely. In this paper, we reassess CT in the water dimer by using charge‐displacement analysis. Besides a reliable estimate of the amount of CT (14.6 me) that characterizes the system, our study provides an unambiguous context, and very useful bounds, within which CT effects may be evaluated, crucially including the associated energy stabilization.
Water‐Soluble Reduced Graphene Oxide–Carboxymethylcellulose Hybrid Nanomaterial for Electrochemical Biosensor Design
Authors: Araque Elena , Villalonga Reynaldo , Gamella María , Martínez‐Ruiz Paloma , Sánchez Alfredo , García‐Baonza Valentín , Pingarrón José M. 
Published: July 2014

AbstractA novel hybrid nanomaterial was synthesised by covalent attachment of O‐carboxymethylcellulose to reduced graphene oxide. Graphene oxide was first anchored with (3‐aminopropyl)triethoxysilane moieties to provide reactive primary amino groups at the basal plane. Periodate‐oxidised O‐carboxymethylcellulose was further covalently attached to this aminated nanomaterial through reductive alkylation with NaBH4. Stable aqueous dispersions were obtained with the resulting hybrid nanomaterial, which was used to coat glassy carbon electrodes. Furthermore, the enzyme tyrosinase was covalently immobilised and the nanostructured enzyme electrode was successfully employed for the amperometric detection of catechol in the 20 nM–56 μM range. The biosensor showed excellent analytical performance with a high sensitivity of 270 mA M−1 and a low detection limit of 0.2 nM.
Multifunctional Organized Mesoporous Tin Oxide Films Templated by Graft Copolymers for Dye‐Sensitized Solar Cells
Authors: Park Jung Tae , Ahn Sung Hoon , Roh Dong Kyu , Lee Chang Soo , Kim Jong Hak 
Published: July 2014

AbstractInvited for this month′s cover is the group of Jong Hak Kim at Yonsei University in South Korea. The image shows how organized mesoporous SnO2 film plays a role in controlling light harvesting, electron transport and interfacial/internal resistance of dye‐sensitized solar cells (DSSCs). The Full Paper itself is available at 10.1002/cssc.201301215
Green Acetylation of Solketal and Glycerol Formal by Heterogeneous Acid Catalysts to Form a Biodiesel Fuel Additive
Authors: Dodson Jennifer R. , Leite Thays d C. M. , S. Pontes Nathália , Peres Pinto Bianca , Mota Claudio J. A. 
Published: July 2014

AbstractA glut of glycerol has formed from the increased production of biodiesel, with the potential to integrate the supply chain by using glycerol additives to improve biodiesel properties. Acetylated acetals show interesting cold flow and viscosity effects. Herein, a solventless heterogeneously catalyzed process for the acetylation of both solketal and glycerol formal to new products is demonstrated. The process is optimized by studying the effect of acetylating reagent (acetic acid and acetic anhydride), reagent molar ratios, and a variety of commercial solid acid catalysts (Amberlyst‐15, zeolite Beta, K‐10 Montmorillonite, and niobium phosphate) on the conversion and selectivities. High conversions (72–95 %) and selectivities (86–99 %) to the desired products results from using acetic anhydride as the acetylation reagent and a 1:1 molar ratio with all catalysts. Overall, there is a complex interplay between the solid catalyst, reagent ratio, and acetylating agent on the conversion, selectivities, and byproducts formed. The variations are discussed and explained in terms of reactivity, thermodynamics, and reaction mechanisms. An alternative and efficient approach to the formation of 100 % triacetin involves the ring‐opening, acid‐catalyzed acetylation from solketal or glycerol formal with excesses of acetic anhydride.
Paving the Way for Using Li2S Batteries
Authors: Xu Rui , Zhang Xiaofeng , Yu Cun , Ren Yang , Li James C. M. , Belharouak Ilias 
Published: July 2014

AbstractIn this work, a novel lithium–sulfur battery was developed comprising Li2S as the cathode, lithium metal as the anode and polysulfide‐based solution as the electrolyte. The electrochemical performances of these Li2S‐based cells strongly depended upon the nature of the electrolytes. In the presence of the conventional electrolyte that consisted of lithium bis(trifluoromethanesulfonyl)‐imide (LiTFSI) salt dissolved in a solvent combination of dimethoxyethane (DME)/1,3‐dioxolane (DOL), the Li/Li2S cells showed sluggish kinetics, which translated into poor cycling and capacity retention. However, when using small amounts of polysulfides in the electrolyte along with a shuttle inhibitor the Li2S cathode was efficiently activated in the cell with the generation of over 1000 mAh g−1 capacity and good cycle life.
Application of In Operando UV/Vis Spectroscopy in Lithium–Sulfur Batteries
Authors: Patel Manu U. M. , Dominko Robert 
Published: July 2014

AbstractApplication of UV/Vis spectroscopy for the qualitative and quantitative determination of differences in the mechanism of lithium–sulfur battery behavior is presented. With the help of catholytes prepared from chemically synthesized stoichiometric mixtures of lithium and sulfur, calibration curves for two different types of electrolyte can be constructed. First‐order derivatives of UV/Vis spectra show five typical derivative peak positions in both electrolytes. In operando measurements show a smooth change in the UV/Vis spectra in the wavelength region between λ=650 and 400 nm. Derivatives are in agreement with derivative peak positions observed with catholytes. Recalculation of normalized reflections of UV/Vis spectra obtained in operando mode enable the formation of polysulfides and their concentrations to be followed. In such a way, it is possible to distinguish differences in the mechanism of polysulfide shuttling between two electrolytes and to correlate differences in capacity fading.
Hybrid Organic Light‐Emitting Diodes with Low Color‐Temperature and High Efficiency for Physiologically‐Friendly Night Illumination
Authors: Hu Yue , Zhang Tingke , Chen Jiangshan , Ma Dongge , Cheng Chien‐Hong 
Published: July 2014

AbstractLow color‐temperature (CT) light sources are preferred for physiologically‐friendly illumination at night due to their low suppression of melatonin secretion. We fabricated low‐CT hybrid organic light‐emitting diodes (OLEDs) by constructing a double emissive‐layer (EML) structure, with a blue‐red fluorescent‐phosphorescent hybrid EML and a green phosphorescent EML, separated by a bipolar interlayer. By doping a red phosphor in a blue fluorescent mixed‐host with a decent concentration, blue and red emissions from the host and dopant, respectively, were obtained. The CT of the optimized device was tuned to less than 2500 K, with the brightness ranging from 100 to 10,000 cd m−2. In addition, the low‐CT OLED exhibited much higher efficacy than other low‐CT light sources, such as incandescent bulbs and candles. The maximum power efficiency and external quantum efficiency of the hybrid OLED reached 54.6 lm W−1 and 24.3 %, respectively, which only rolled off to 44.2 lm W−1 and 23.6 % at 1000 cd m−2, with a CT of 1910 K. Low‐CT OLEDs with high efficacy provide a promising alternative for night lighting that will safeguard human health.
Micromorphology analysis and bond strength of two adhesives to Er,Cr:YSGG laser‐prepared vs. Bur‐prepared fluorosed enamel
Authors: Shafiei Fereshteh , JOWKAR Zahra , Fekrazad Reza , Khalafi‐nezhad Abolfazl 
Published: July 2014

ABSTRACTPreservation of enamel during composite veneer restorations of fluorosed teeth could be achieved by conservative preparation with Erbium lasers. This study evaluated the effect of fluorosed enamel preparation with Er,Cr:YSGG vs. conventional diamond bur on the micromorphology and bond strength of a self‐etch and an etch‐and‐rinse adhesives. Er,Cr:YSGG laser or diamond bur preparation was performed on the flattened midbuccal surfaces of 70 extracted human premolars with moderate fluorosis (according to Thylstrup and Fejerskov index, TFI = 4–6). Adper Single Bond (SB) with acid etching for 20 or 40 s and Clearfil SE Bond (SEB) alone or with additional etching was applied in four laser groups. The same adhesive procedures were used in three bur groups except for 40 s of etching along with SB. After restoration, microshear bond strength was measured (MPa). Data were analyzed using ANOVA and Tamhane tests (α = 0.05). Six additional specimens were differently prepared and conditioned for scanning electron microscopy evaluation. The highest and lowest bond strengths were obtained for bur‐prepared/SB (39.5) and laser‐prepared/SEB (16.9), respectively, with a significant difference (P = 0.001). The different adhesive procedures used associated to two adhesives exhibited insignificantly lower bonding in laser‐prepared groups compared to bur‐prepared ones (P > 0.05), with the exception of additional etching/SEB, which bonded significantly higher to bur‐prepared (36.4) than to laser‐prepared enamel (18.7, P = 0.04). Morphological analyses revealed a delicate etch pattern with exposed enamel prisms on laser‐prepared fluorosed enamel after acid etching and less microretentive pattern after self‐etching primer. The etch‐and‐rinse adhesive was preferred in the laser‐prepared fluorosed enamel in terms of bonding performance. Microsc. Res. Tech. 77:779–784, 2014. © 2014 Wiley Periodicals, Inc.
The methyltransferase EZH2 is not required for mammary cancer development, although high EZH2 and low H3K27me3 correlate with poor prognosis of ER‐positive breast cancers
Authors: Bae Woo Kyun , Yoo Kyung Hyun , Lee Ji Shin , Kim Young , Chung Ik‐Joo , Park Min Ho , Yoon Jung Han , Furth Priscilla A. , Hennighausen Lothar 
Published: July 2014

ABSTRACTEnhancer of zeste homolog 2 (EZH2) catalyzes trimethylation of histone H3 lysine 27 (H3K27me3) and its demethylation is catalyzed by UTX. EZH2 levels are frequently elevated in breast cancer and have been proposed to control gene expression through regulating repressive H3K27me3 marks. However, it is not fully established whether breast cancers with different levels of H3K27me3, EZH2 and UTX exhibit different biological behaviors. Levels of H3K27me3, EZH2 and UTX and their prognostic significance were evaluated in 146 cases of breast cancer. H3K27me3 levels were higher in HER2‐negative samples. EZH2 expression was higher in cancers that were LN+, size > 20mm, and with higher tumor grade and stage. Using a Cox regression model, H3K27me3 levels and EZH2 expression were identified as independent prognostic factors for overall survival for all the breast cancers studied as well as the ER‐positive subgroup. The combination of low H3K27me3 and high EZH2 expression levels were significantly associated with shorter survival. UTX expression was not significantly associated with prognosis and there were no correlations between H3K27me3 levels and EZH2/UTX expression. To determine if EZH2 is required to establish H3K27me3 marks in mammary cancer, Brca1 and Ezh2 were deleted in mammary stem cells in mice. Brca1‐deficient mammary cancers with unaltered H3K27me3 levels developed in the absence of EZH2, demonstrating that EZH2 is not a mandatory H3K27 methyltransferase in mammary neoplasia and providing genetic evidence for biological independence between H3K27me3 and EZH2 in this tissue. © 2014 Wiley Periodicals, Inc.
Sphincter electromyography in diabetes mellitus and multiple system atrophy
Authors: Jian Fan , Pan Hua , Zhang Zaiqiang , Lin Jinxi , Chen Na , Zhang Lei , Wu Qing , Wang Han , Wang Yongjun , Cui Liying , Tang Xiaofu 
Published: July 2014

AbstractAimsAbnormalities of external anal sphincter electromyography (EAS‐EMG) characterize multiple system atrophy (MSA) and focal cauda equina or conus medullaris lesions. This study is designed to determine whether and how diabetic polyneuropathy (DPN) affects EAS as compared to the abnormalities seen in MSA.MethodsWe conducted multi‐motor unit potential (MUP) analysis of EAS in 22 healthy controls, 32 diabetes mellitus (DM) patients without neuropathy, 38 DPN patients, and 68 MSA patients.ResultsDPN patients had a significant (P < 0.01) increase in MUP mean duration, mean amplitude, percentage of long duration MUPs, and satellite rate, but to a lesser extent than MSA. Mean duration and satellite rate showed the least overlap among different groups in individual value distributions.ConclusionsCompared with MSA, DPN affects EAS to a lesser degree as judged by neurogenic MUP abnormalities in EMG. Mean duration and satellite rate may serve as the most discriminating aspects in MUP analysis of EAS. Neurourol. Urodynam. 34:???–???, 2015. © 2014 Wiley Periodicals, Inc.
Avoiding Marine Vehicles with Passive Acoustics
Authors: D'Este Claire , Seton Brett , McCulloch John , Smith Daniel , Sharman Chris 
Published: July 2014

Passive acoustics represent a low‐cost approach to detecting and avoiding other marine vehicles using limited computing and power resources. We present a robust safety behavior for long‐term environmental sensing of rivers and estuaries demonstrated on a smartphone‐driven, diving robot. The detection method is based on energy detection from the hydrophone output. Field testing demonstrates detection and avoidance of motorized vessels of various sizes with 94.1% accuracy and a 12.1% false positive rate. Dives are triggered with a median approach distance of approximately 700 m, and they are completed within 500 m of the detected vehicle.
Novel viral translation strategies
Authors: Au Hilda HT , Jan Eric 
Published: July 2014

Viral genomes are compact and encode a limited number of proteins. Because they do not encode components of the translational machinery, viruses exhibit an absolute dependence on the host ribosome and factors for viral messenger RNA (mRNA) translation. In order to recruit the host ribosome, viruses have evolved unique strategies to either outcompete cellular transcripts that are efficiently translated by the canonical translation pathway or to reroute translation factors and ribosomes to the viral genome. Furthermore, viruses must evade host antiviral responses and escape immune surveillance. This review focuses on some recent major findings that have revealed unconventional strategies that viruses utilize, which include usurping the host translational machinery, modulating canonical translation initiation factors to specifically enhance or repress overall translation for the purpose of viral production, and increasing viral coding capacity. The discovery of these diverse viral strategies has provided insights into additional translational control mechanisms and into the viral host interactions that ensure viral protein synthesis and replication. WIREs RNA 2014, 5:779–801. doi: 10.1002/wrna.1246This article is categorized under:

Translation > Translation Mechanisms
Translation > Translation Regulation
Novel roles of the CCR4–NOT complex
Authors: Chapat Clément , Corbo Laura 
Published: July 2014

The CCR4–NOT complex is a multi‐subunit protein complex evolutionarily conserved across eukaryotes which regulates several aspects of gene expression. A fascinating model is emerging in which this complex acts as a regulation platform, controlling gene products ‘from birth to death’ through the coordination of different cellular machineries involved in diverse cellular functions. Recently the CCR4–NOT functions have been extended to the control of the innate immune response through the regulation of interferon signaling. Thus, a more comprehensive picture of how CCR4–NOT allows the rapid adaptation of cells to external stress, from transcription to mRNA and protein decay, is presented and discussed here. Overall, CCR4–NOT permits the efficient and rapid adaptation of cellular gene expression in response to changes in environmental conditions and stimuli. WIREs RNA 2014, 5:883–901. doi: 10.1002/wrna.1254This article is categorized under:

RNA Processing > 3' End Processing
RNA Turnover and Surveillance > Turnover/Surveillance Mechanisms
Management of acute colorectal diseases in febrile neutropenic patients
Authors: Perazzoli Camila , Feitosa Marley Ribeiro , Figueiredo-Pontes Lorena Lobo de , da Rocha José Joaquim Ribeiro , Simões Belinda Pinto , Féres Omar 
Published: July 2014

AbstractPatients with hematologic malignancies are susceptible to serious complications due to immunosuppression. Neutropenic-related infection is one of the major causes of morbidity and mortality in this group of diseases. Febrile neutropenia is a common complication of the hematologic neoplasm itself or chemotherapy, and has worse prognosis if prolonged (lasting more than 7 days) or severe (neutrophil count below 500 cells per μL). Among the usual sites of infection, we highlight the neutropenic enterocolitis and perianal infection as gastrointestinal complications of greater interest to the colorectal surgeon. Although most cases respond to conservative treatment, a portion of patients will need surgery for complete recovery.
One Health – Risikomanagement im Öffentlichen Raum
Authors: Wildner Manfred , Wirtz Angela 
Published: July 2014

Einleitung
„Das One Health-Konzept erkennt an, dass die menschliche Gesundheit mit der Gesundheit von Tieren und der Umwelt verbunden ist“ (CDC, Atlanta). Diese Aussage wurde erst spät als eine Leitidee in Public Health weithin akzeptiert. Zum Verständnis wird an die jeweils zeitgebundenen Leitgedanken von Public Health erinnert. Erst der systemische Ansatz einer New Public Health im 20. Jahrhundert und 21. Jahrhundert bot einen geeigneten Rahmen für eine Rezeption des One Health-Ansatzes.
Whole-organ culture of rat trigeminal ganglion: Preliminary results on TRPV1 expression and function
Authors: Larsen D.B. , Jørgensen D. , Panchalingam V. , Gazerani P. 
Published: July 2014

Abstract

Aims
The present study investigated expression and overall function of transient receptor potential vanilloid-1 (TRPV1) on trigeminal ganglion (TG) neurons and satellite glial cells (SGCs) in a whole-organ culture model to provide further information on association of TG with craniofacial nociception.

Methods
For TRPV1 receptor expression on neurons and SGCs, immunohistochemistry was performed on 24 cultured trigeminal ganglia isolated from male adult Sprague–Dawley rats. For the functional assay, the cultured trigeminal ganglia were treated with graded concentrations of capsaicin (0.1 μM, 1 μM, or 10 μM) or vehicle (0.1% ethanol in DMEM) and glutamate release was measured by a competitive enzyme-linked immunosorbent assay (ELISA). Samples were taken at 5, 15, and 30 min. Data from the functional assay were analyzed by two-way repeated measures ANOVA and Tukey post hoc test.

Results
The preliminary results confirmed the expression of TRPV1 mainly on small (46.6%) and medium (44.2%) sized neurons. In addition, expression of TRPV1 on SGCs was shown. Functionality test of the whole-organ demonstrated a significant increase in glutamate concentration, 30 min after application of 10 μM capsaicin (31.69 ± 6.73 μM) in comparison with vehicle (9.83 ± 2.53 μM) and 0.1 μM capsaicin (11.59 ± 7.04 μM) (p < 0.01).

Conclusions
This preliminary study demonstrated the expression of TRPV1 on trigeminal neurons and SGCs in the whole-organ model. Furthermore, capsaicin-evoked glutamate release from the whole-organ culture was detectable under controlled conditions and provided a potential platform for further investigation on TRPV1 stimulation and pharmacological modulation in relation to craniofacial nociception.
Dendroidal sets as models for connective spectra
Authors: Bašić Matija , Nikolaus Thomas 
Published: July 2014

AbstractDendroidal sets have been introduced as a combinatorial model for homotopy coherent operads. We introduce the notion of fully Kan dendroidal sets and show that there is a model structure on the category of dendroidal sets with fibrant objects given by fully Kan dendroidal sets. Moreover we show that the resulting homotopy theory is equivalent to the homotopy theory of connective spectra.
Production of goat milk protein hydrolysate enriched in ACE-inhibitory peptides by ultrafiltration
Authors: Espejo-Carpio Francisco Javier , Pérez-Gálvez Raúl , Almécija María del Carmen , Guadix Antonio , Guadix Emilia M. 
Published: July 2014

A global process for the production of goat milk hydrolysates enriched in angiotensin converting enzyme (ACE) inhibitory peptides was proposed. Firstly, the protein fractions (caseins and whey proteins) were separated by ultrafiltration through a 0·14 μm ceramic membrane. The casein fraction obtained in the retentate stream of the above filtration step was subsequently hydrolysed with a combination of subtilisin and trypsin. After 3 h of reaction, the hydrolysate produced presented an IC50 of 218·50 μg/ml, which represent a relatively high ACE inhibitory activity. Finally, this hydrolysate was filtered through a 50 kDa ceramic membrane until reaching a volume reduction factor of 3. The permeate produced presented an improvement of more than 30% in the ACE inhibitory activity. In contrast, the retentate was concentrated in larger and inactive peptides which led to a decrease of more than 80% in its inhibitory activity. The process suggested in this work was suitable to obtain a potent ACE inhibitory activity product able to be incorporated into food formulas intended to control or lower blood pressure. Moreover, the liquid product could be easily stabilised by spray dried if it would be necessary.
Social stress and the oxytocin receptor gene interact to predict antisocial behavior in an at-risk cohort
Authors: Smearman Erica L. , Winiarski D. Anne , Brennan Patricia A. , Najman Jake , Johnson Katrina C. 
Published: July 2014

AbstractPolymorphisms in the oxytocin receptor gene are commonly associated with prosocial behaviors in the extant literature, yet their role in antisocial behaviors has rarely been explored, particularly during the transition from adolescence to early adulthood. We examined a prospective cohort (N = 404), collecting youth, mother, and clinician reports of conduct-disordered and antisocial behavior at ages 15 and 20. The oxytocin receptor gene rs53576 polymorphism was hypothesized to interact with social stress to predict antisocial outcomes. Structural equation modeling results revealed a significant main effect at age 15 (p = .025); those with the G allele exhibited higher levels of conduct problems. Structural equation modeling revealed a significant Gene × Environment interaction at age 20 (p = .029); those with the G allele who experienced high social stress exhibited higher levels of antisocial behavior. Heterozygous (AG) grouping models were compared, and parameter estimations supported G dominant groupings. These novel findings suggest that rs53576 polymorphisms may influence social salience and contribute to risk for antisocial outcomes, particularly under conditions of high social stress.