bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hybrid Molecular Systems Containing Tetrathiafulvalene and Iron‐Alkynyl Electrophores: Five‐Component Functional Molecules Obtained from CH Bond Activation
Authors: Justaud Frédéric , Gendron Frédéric , Ogyu Yoshiyuki , Kumamoto Yuki , Miyazaki Akira , Ouahab Lahcène , Costuas Karine , Halet Jean‐François , Lapinte Claude 
Published: February 2013

AbstractTreatment of [Cp*(dppe)FeCC‐TTFMe3] (1) with Ag[PF6] (3 equiv) in DMF provides the binuclear complex [Cp*(dppe)FeCCTTFMe2CHCHTTFMe2CC=Fe(dppe)Cp*][PF6]2 (2[PF6]2) isolated as a deep‐blue powder in 69 % yield. EPR monitoring of the reaction and comparison of the experimental and calculated EPR spectra allowed the identification of the radical salt [Cp*(dppe)FeCCTTFMe2CH][PF6]2 ([1‐CH][PF6]) an intermediate of the reaction, which results from the activation of the methyl group attached in vicinal position with respect to the alkynyl–iron on the TTF ligand by the triple oxidation of 1 leading to its deprotonation by the solvent. The dimerization of [1‐CH][PF6] through carbon–carbon bond formation provides 2[PF6]2. The cyclic voltammetry (CV) experiments show that 2[PF6]2 is subject to two sequential well‐reversible one‐electron reductions yielding the complexes 2[PF6] and 2. The CV also shows that further oxidation of 2[PF6]2 generates 2[PF6]n (n=3–6) at the electrode. Treatment of 2[PF6]2 with KOtBu provides 2[PF6] and 2 as stable powders. The salts 2[PF6] and 2[PF6]2 were characterized by XRD. The electronic structures of 2n+ (n=0–2) were computed. The new complexes were also characterized by NMR, IR, Mössbauer, EPR, UV/Vis and NIR spectroscopies. The data show that the three complexes 2[PF6]n are iron(II) derivatives in the ground state. In the solid state, the dication 22+ is diamagnetic and has a bis(allenylidene‐iron) structure with one positive charge on each iron building block. In solution, as a result of the thermal motion of the metal–carbon backbone, the triplet excited state becomes thermally accessible and equilibrium takes place between singlet and triplet states. In 2[PF6], the charge and the spin are both symmetrically distributed on the carbon bridge and only moderately on the iron and TTFMe2 electroactive centers.
Cu‐Catalyzed Asymmetric Allylic Alkylation of Phosphonates and Phosphine Oxides with Grignard Reagents
Authors: Hornillos Valentín , Pérez Manuel , Fañanás‐Mastral Martín , Feringa Ben L. 
Published: February 2013

AbstractAn efficient and highly enantioselective copper‐catalyzed allylic alkylation of phosphonates and phosphine oxides with Grignard reagents and Taniaphos or phosphoramidites as chiral ligands is reported. Transformation of these products leads to a variety of new phosphorus‐containing chiral intermediates.
Quantitative prediction of 13C NMR chemical shifts in solvent using PCM‐ONIOM method and optimally selected wave function
Authors: Shaghaghi Hoora , Fathi Fariba , Ebrahimi Hossein Pasha , Tafazzoli Mohsen 
Published: February 2013

AbstractThe wave functions for calculating 13C nuclear magnetic chemical shifts of 22 groups of organic compounds (64 molecules) in chloroform solution have been optimally selected using factorial design as a multivariate technique. Our own N‐layered integrated molecular orbital and molecular mechanics approach was applied for molecules with different types of carbons. The results have obtained in very good agreement with the experimental values. An additional series (58 molecules) have been used as test sets and their results confirm the validity and reliability of the approaches. The total root mean square deviation and correlation coefficient of predictions (433 carbons) are 1.88 and .9994, respectively. Applicability of recommended levels of theory to calculate 13C chemical shifts in different solvents is guaranteed by calculating 13C chemical shifts for 25 carbons in benzene, chloroform, Dimethyl sulfoxide (DMSO), and water. © 2013 Wiley Periodicals, Inc. Concepts Magn Reson Part A 42A: 1–13, 2013.
Synthesis, Spectroscopy, and Computational Analysis of Photoluminescent Bis(aminophenyl)‐Substituted Thiophene Derivatives
Authors: Lumpi Daniel , Horkel Ernst , Plasser Felix , Lischka Hans , Fröhlich Johannes 
Published: February 2013

AbstractSubstituted oligothiophenes have a long history in the field of organic electronics, as they often combine outstanding electro‐optical properties with the ease of synthesis. To assist the rational selection of the most promising structures to be synthesized, there is the demand for tools that allow prediction of the properties of the materials. In this study, we present strategies for synthesis and computational characterization, with respect to the fluorescence behavior of oligothiophene‐based materials for organoelectronic applications. In a combined approach, sophisticated computational methodologies are directly compared to experimental results. The M06‐2X functional in combination with the polarizable continuum model in a state‐specific formulation for excited‐state solvation proved to be particularly reliable. In addition, a semiclassical approach for describing the vibrational broadening of the spectra is employed. As a result, a robust procedure for the prediction of the fluorescence spectra of oligothiophene derivatives is presented.
Synthesis and single crystal growth of SnS by the Bridgman‐Stockbarger technique
Authors: Sorgenfrei T. , Hofherr F. , Jauß T. , Cröll A. 
Published: February 2013

AbstractSnS is a promising candidate as PV absorber material according to the material properties and the Loferski diagram, but despite the numerous publications on this material, the intrinsic material properties are widely unknown and the theoretical possible values for efficiency are still far away from those achieved in reality. Due to the fact that this material is mostly grown as thin film material, bulk research is rare. The material synthesis and the melt growth of tin monosulfide (SnS) by using Bridgman‐Stockbarger technique have been investigated in this study. After first growth experiments produced polycrystalline SnS, a significant reduction of the growth velocity lead to samples with a high amount of single crystalline material. These samples were investigated in detail regarding the structural and optical properties by using XRD/HRXRD, chemical etching and photoluminescence.
RNA interference by feeding in vitro–synthesized double‐stranded RNA to planarians: Methodology and dynamics
Authors: Rouhana Labib , Weiss Jennifer A. , Forsthoefel David J. , Lee Hayoung , King Ryan S. , Inoue Takeshi , Shibata Norito , Agata Kiyokazu , Newmark Phillip A. 
Published: February 2013

BackgroundThe ability to assess gene function is essential for understanding biological processes. Currently, RNA interference (RNAi) is the only technique available to assess gene function in planarians, in which it has been induced by means of injection of double‐stranded RNA (dsRNA), soaking, or ingestion of bacteria expressing dsRNA.ResultsWe describe a simple and robust RNAi protocol, involving in vitro synthesis of dsRNA that is fed to the planarians. Advantages of this protocol include the ability to produce dsRNA from any vector without subcloning, resolution of ambiguities in quantity and quality of input dsRNA, as well as time and ease of application. We have evaluated the logistics of inducing RNAi in planarians using this methodology in careful detail, from the ingestion and processing of dsRNA in the intestine, to timing and efficacy of knockdown in neoblasts, germline, and soma. We also present systematic comparisons of effects of amount, frequency, and mode of dsRNA delivery.ConclusionsThis method gives robust and reproducible results and is amenable to high‐throughput studies. Overall, this RNAi methodology provides a significant advance by combining the strengths of current protocols available for dsRNA delivery in planarians and has the potential to benefit RNAi methods in other systems. Developmental Dynamics 242:718–730, 2013. © 2013 Wiley Periodicals, Inc.
“Indirect Modification” of Glassy Carbon with Gold Nanoparticles Using Nonconducting Support Materials
Authors: Nakashima Daisuke , Marken Frank , Oyama Munetaka 
Published: February 2013

AbstractElectrochemical measurements using nonconducting support materials, such as paper and cotton gauze, for modifying glassy carbon (GC) with gold nanoparticles (AuNPs) are described. After a seed‐mediated growth modification of AuNPs on Kimwipes, a AuNP‐Kimwipes‐modified GC electrode that was fabricated by simply fixing a piece of AuNP‐modified Kimwipes on a GC electrode surface showed almost reversible cyclic voltammetric responses for the oxidation of Fe(CN)64− in 0.1 M phosphate buffer solution (pH 7.0) even when the GC surface was not polished before fixing. The electrochemical impedance results also indicated the significant effect of the AuNP‐modified Kimwipes on reducing the charge transfer resistance. Similar effects were observed for AuNP‐modified cotton gauze, whose characteristics were the partial coverage of a GC surface, and, for the electrode in that a piece of untreated Kimwipes was bound between AuNP‐modified Kimwipes and a GC electrode surface. On the basis of such partial or remote effects of AuNPs together with other electrochemical results, plausible mechanisms to promote the electron transfer reaction of Fe(CN)64− by AuNPs are discussed. In addition, as a specific phenomenon in the present modified electrodes, the adsorption of Fe(CN)64− with the presence of AuNPs is described.
Unmixing of stable isotope signals using single specimen δ18O analyses
Authors: Wit J.C. , Reichart G.J. , Ganssen G.M. 
Published: February 2013

AbstractThe resolution at which foraminiferal stable isotopes are applied in paleo‐environmental studies is ever increasing, resulting in continuous sampling of sediment cores. The resolution of such continuously sampled records depends on the rate of sedimentation of foraminiferal shells in its relation to the intensity of bioturbation. Bioturbation essentially mixes sediment layers of different age, altering the primary climate signal, thereby impacting the accuracy of both the timing and magnitude of reconstructed climate changes. A new approach to assess and correct the impact of bioturbation is investigated here, based on the δ18O of individual specimens of planktonic foraminifera Globorotalia inflata from a series of boxcore samples in the Eastern North Atlantic. Average δ18O values decrease southward from 1.62 to 1.07‰ with the exception of site T86‐11 (1.35‰). The δ18O distribution of each station can be fitted with a uni‐ to polymodal distribution. A nonunimodal distribution strongly suggests admixing of bioturbated individuals. Quantification of these distributions allows deconvolving the original and bioturbated signals and subsequently provides a correction for bioturbation.
The application of decision tree to intensity change classification of tropical cyclones in western North Pacific
Authors: Zhang Wei , Gao Si , Chen Bin , Cao Kai 
Published: February 2013

AbstractThis study applies the C4.5 algorithm to classify tropical cyclone (TC) intensity change in the western North Pacific. The 24 h change in TC intensity (i.e., intensifying and weakening) is regarded as a binary classification problem. A decision tree, with three variables and five leaf nodes, is built by the C4.5 algorithm. The variables include intensification potential (maximum potential intensity minus current intensity), previous 12 h intensity change, and zonal wind shear. All five rules, discovered from the tree by forming a path from the root node to each leaf node, can be interpreted by theories on TC intensification. Data mining results identify a predictor set (i.e., the mined rules) with high classification accuracy. The present study suggests that this data mining approach can shed some light on investigating TC intensity change processes and therefore has the potential to improve the forecasting of TC intensity.
Resolving centimeter‐scale flows in aquifers and their hydrostratigraphic controls
Authors: Liu G. , Knobbe S. , Butler J.J. 
Published: February 2013

AbstractThe rate of groundwater flow has long been recognized as a critical control on solute transport in the subsurface. However, information about groundwater flux and its variability in space is rarely available, especially at the resolution required for investigations at sites of groundwater contamination. Recently, high‐resolution information about vertical variations in groundwater flux was obtained using fiber‐optic distributed temperature sensing technology to monitor the temperature response to active heating in a well. A series of vertical thermal profiles were acquired at a 1.4 cm resolution in a sand and gravel aquifer. These high‐resolution profiles, which display many of the same general features as hydraulic conductivity (K) profiles obtained using multiple techniques at the same well, provide new insights into site hydrostratigraphy. In particular, the near‐continuous profiles reveal the existence of thin zones of relatively high or low velocity that would be difficult to detect using other methods. These profiles also demonstrate that vertical variations in K may not be an accurate indicator of vertical variability in groundwater flux in highly heterogeneous aquifers.
WHAT MAKES WORKERS WITH DISABILITIES HAPPY? THE IMPORTANCE OF NON‐PECUNIARY CHARACTERISTICS
Authors: Pagán Ricardo 
Published: February 2013

SUMMARYThe paper examines the determinants of the levels of job satisfaction reported by non‐disabled and disabled workers, with special attention to the contribution of non‐pecuniary job aspects. Using longitudinal data from the German Socio‐Economic Panel, we estimate job satisfaction equations for non‐disabled and disabled workers. The existence of unhealthy environments, hard manual work, capacity to learn and good relationships with colleagues and supervisors all have a greater influence on job satisfaction for disabled workers than for their non‐disabled counterparts. Copyright © 2013 John Wiley & Sons, Ltd.
Therapeutic recovery of hepatitis B virus (HBV)-induced hepatocyte-intrinsic immune defect reverses systemic adaptive immune tolerance
Authors: Lan Peixiang , Zhang Cai , Han Qiuju , Zhang Jian , Tian Zhigang 
Published: February 2013

Abstract

Hepatitis B virus (HBV) persistence aggravates hepatic immunotolerance, leading to the failure of cell-intrinsic type I interferon and antiviral response, but whether and how HBV-induced hepatocyte-intrinsic tolerance influences systemic adaptive immunity has never been reported, which is becoming the major obstacle for chronic HBV therapy. In this study, an HBV-persistent mouse, established by hydrodynamic injection of an HBV-genome-containing plasmid, exhibited not only hepatocyte-intrinsic but also systemic immunotolerance to HBV rechallenge. HBV-specific CD8+ T-cell and anti-HBs antibody generation were systemically impaired by HBV persistence in hepatocytes. Interestingly, HBV-induced hepatocyte-intrinsic immune tolerance was reversed when a dually functional vector containing both an immunostimulating single-stranded RNA (ssRNA) and an HBx-silencing short hairpin RNA (shRNA) was administered, and the systemic anti-HBV adaptive immune responses, including CD8+ T-cell and anti-HBs antibody responses, were efficiently recovered. During this process, CD8+ T cells and interferon-gamma (IFN-γ) secreted play a critical role in clearance of HBV. However, when IFN-α/β receptor was blocked or the Toll-like receptor (TLR)7 signaling pathway was inhibited, the activation of CD8+ T cells and clearance of HBV was significantly impaired. Conclusion: These results suggest that recovery of HBV-impaired hepatocyte-intrinsic innate immunity by the dually functional vector might overcome systemic adaptive immunotolerance in an IFN-α- and TLR7-dependent manner. The strategy holds promise for therapeutic intervention of chronic persistent virus infection and associated cancers. (Hepatology 2013;)
The suppressive role of p38 MAPK in cellular vacuole formation
Authors: Chen Run , Duan Chun‐Yan , Chen Shao‐Kun , Zhang Chun‐Yan , He Tao , Li Hong , Liu You‐Ping , Dai Rong‐Yang 
Published: February 2013

AbstractVacuolization of the cytoplasm is one of the dramatic and frequently observed phenomena in various cell types. Cellular vacuoles occur spontaneously or via a wide range of inductive stimuli, but the molecular mechanism involved in this process remains largely unknown. In this study, we investigated the role of the p38 and JNK pathways in the formation of cytoplasmic vacuoles. We found that p38 and JNK agonist anisomycin abolishes spontaneous cytoplasmic vacuolization of HepG2 cells through p38 activation, but not through JNK activation. Importantly, blocking the activity of p38 or suppression the expression of p38 elicits cytoplasmic vacuoles formation in various cancer cells. Furthermore, cytoplasmic vacuoles induced by p38 blocking are derived from the perinuclear region. These observations provide direct evidence for a role of p38 signaling in regulating the formation of cytoplasmic vacuoles. J. Cell. Biochem. 114: 1789–1799, 2013. © 2013 Wiley Periodicals, Inc.
Gastrokine 1 regulates NF‐κB signaling pathway and cytokine expression in gastric cancers
Authors: Yoon Jung Hwan , La Cho Mi , Choi Yoo Jin , Back Ji Yeon , Park Mi Kyung , Lee Suk Woo , Choi Byung Joon , Ashktorab Hassan , Smoot Duane T. , Nam Suk Woo , Lee Jung Young , Park Won Sang 
Published: February 2013

AbstractGastrokine 1 (GKN1) plays an important role in the gastric mucosal defense mechanism and also acts as a functional gastric tumor suppressor. In this study, we examined the effect of GKN1 on the expression of inflammatory mediators, including NF‐κB, COX‐2, and cytokines in GKN1‐transfected AGS cells and shGKN1‐transfected HFE‐145 cells. Lymphocyte migration and cell viability were also analyzed after treatment with GKN1 and inflammatory cytokines in AGS cells by transwell chemotaxis and an MTT assay, respectively. In GKN1‐transfected AGS cells, we observed inactivation and reduced expression of NF‐κB and COX‐2, whereas shGKN1‐transfected HFE‐145 cells showed activation and increased expression of NF‐κB and COX‐2. GKN1 expression induced production of inflammatory cytokines including IL‐8 and ‐17A, but decreased expression of IL‐6 and ‐10. We also found IL‐17A expression in 9 (13.6%) out of 166 gastric cancer tissues and its expression was closely associated with GKN1 expression. GKN1 also acted as a chemoattractant for the migration of Jurkat T cells and peripheral B lymphocytes in the transwell assay. In addition, GKN1 significantly reduced cell viability in both AGS and HFE‐145 cells. These data suggest that the GKN1 gene may inhibit progression of gastric epithelial cells to cancer cells by regulating NF‐κB signaling pathway and cytokine expression. J. Cell. Biochem. 114: 1800–1809, 2013. © 2013 Wiley Periodicals, Inc.
Statistical analysis on morphology development of some semialicyclic polyimides using atomic force microscopy
Authors: Stoica Iuliana , Barzic Andreea Irina , Hulubei Camelia , Timpu Daniel 
Published: February 2013

ABSTRACTThe morphological features and surface texture parameters of some polyimide films prepared from a flexible and alicyclic dianhydride, in combination with five aromatic diamines, were evaluated by atomic force microscopy (AFM) in order to determine their applicability in electronics. By means of the surface roughness, shape of the surface height distribution, and angular and radial texture, a precise description of the actual surface topographies at the interface with other materials was made. The polyimide structures led to the development of different surface morphologies (from granular to porous and from bumpy to spiky). The relief diversity was described by the entropy of morphology, which had a similar trend with the root mean square roughness, which presents low values, i.e. 0.5–1.8 nm. Three‐dimensional AFM images and the corresponding angular spectra, together with texture aspect ratio and texture direction index (close to 1), indicate that no predominant orientation exists on the investigated surfaces. The redundancy in the morphology was associated with the concept of fractals, the maximum redundancy being achieved for the polyimide with the most complex polymer chain conformation. These results provide useful insights in selecting the polyimide structure, which has the optimal morphology, roughness, orientation, bearing properties, or self‐similarity for microelectronic applications such as: substrate for display backplanes, planar technology, microelectronic packaging, etc. Microsc. Res. Tech. 76:503–513, 2013. © 2013 Wiley Periodicals, Inc.
GEOGRAPHICAL DISTANCE AND MORAL HAZARD IN MICROCREDIT: EVIDENCE FROM COLOMBIA
Authors: Presbitero Andrea F. , Rabellotti Roberta 
Published: February 2013

AbstractRecent years have seen an intense and critical debate about the impact of microcredit on entrepreneurial activities and poor households' welfare. This paper suggests that information asymmetries in the ex post loan arrangement between the microfinance institution and local borrowers could partially explain the limited impact of microcredit. The physical distance separating borrowers from the microfinance institution could be considered as a proxy of agency costs, increasing the costs of monitoring and easing moral hazard. The estimation of the effect of distance on the borrower's self‐assessed outcome of a microcredit project in Colombia confirms the presence of moral hazard in the microcredit market, with agency costs increasing with geographical distance. Copyright © 2013 John Wiley & Sons, Ltd.
Viable herpes simplex virus type 1 and varicella‐zoster virus in the trigeminal ganglia of human cadavers
Authors: Saitoh Hisako , Momma Yuko , Inoue Hiroyuki , Yajima Daisuke , Iwase Hirotaro 
Published: February 2013

AbstractHuman herpes simplex virus type 1 (HSV‐1) and varicella‐zoster virus (VZV) were isolated in the bilateral trigeminal ganglia of 12 human cadavers with no history of herpes‐related symptoms within 1–5 days of death. Sixteen trigeminal ganglia were subjected to explant culture by using Vero cells, but no cytopathogenic effects (CPE) were observed. However, when another eight trigeminal ganglia were placed in a cell strainer and kept from direct contact with Vero cells during culture, CPE were clearly apparent in all cultures. The amount of DNA in the culture supernatants of 16 trigeminal ganglia decreased over time; 12 and 9 of these samples were PCR‐positive for HSV‐1 and VZV, respectively. In new Vero cells inoculated with supernatants collected 2 days after culture initiation, immunofluorescence staining revealed HSV‐1 and VZV in 6 and 5 of 8 trigeminal ganglia, respectively. HSV‐1 and VZV DNA was detected in supernatants collected 3 and 7 days after culture initiation and in Vero cells collected after culture completion, but real‐time PCR revealed the DNA amounts decreased over time. There was less VZV DNA than HSV‐1 DNA. These results demonstrate that infective HSV‐1 and VZV can be isolated in culture, and confirm that viable HSV‐1 and VZV persist in human trigeminal ganglia for some time after death. J. Med. Virol. 85:833–838, 2013. © 2013 Wiley Periodicals, Inc.