bluuebunny/crossref_metadata_2025_split huggingface dataset:
Theoretical prediction and assignment of vicinal 1H–1H coupling constants of diastereomeric 3‐alkoxy‐6,7‐epoxy‐2‐oxabicyclo[3.3.0]octanes
Authors: Aav Riina , Pehk Tõnis , Tamp Sven , Tamm Toomas , Kudrjašova Marina , Parve Omar , Lopp Margus 
Published: January 2011

AbstractSpin–spin coupling constants between nuclei in NMR spectroscopy reflect their spatial arrangement. A number of calculation methods, applying different levels of theory, have been developed to support the stereochemical assignment of novel compounds. Nevertheless, revisions of the assignment of structures in the literature are not rare. In the present work, the reliability of the calculation methods amenable for a theoretical prediction of spin–spin coupling constants of vicinal protons to support correct stereochemical assignment of substitution at five‐membered rings of 3‐alkoxy‐6,7‐epoxy‐2‐oxabicyclo[3.3.0]octanes was studied. Experimental 3J(H,H) coupling constants were compared with the coupling constants calculated for all possible diastereomers. The fully quantum chemical approach provided theoretical 3J(H,H) coupling constants with an absolute deviation of no more than 1.1 Hz for 91% of the experimentally studied coupled spins, whereas the methods without quantum chemical geometry optimization resulted in completely unreliable predictions. Consequently, for a reliable stereochemical assignment of small and medium size molecules, the protocol for calculating the coupling constants based on the results of the quantum chemical geometry optimization is recommended. Copyright © 2011 John Wiley & Sons, Ltd.
Demonstration of anipi‐diode photovoltaic
Authors: Cress Cory D. , Polly Stephen J. , Hubbard Seth M. , Raffaelle Ryne P. , Walters Robert J. 
Published: January 2011

AbstractThe simulation, growth, processing, and characterization of a three‐period GaAs n‐type/intrinsic/p‐type/intrinsic … (nipi) doping solar cell is demonstrated. A V‐groove etching process is characterized and used to expose the multiple n‐type and p‐type layers for electrical connection made by interdigitated grid‐finger electrodes. A five‐layer photolithographic process flow is developed and used to make 1 × 1 cm2devices with varying grid‐finger separation. Device simulations of the structure indicate that strong rectification can be achieved in the parallel‐connected three periodnipiGaAs solar cell structure provided the necessary semiconductor doping compensation is achieved in the region near the metal‐semiconductor interfaces. Experimentally, the improvements observed in the open circuit voltage, short circuit current, and ideality of the devices following thermal annealing suggests the formation of barriers near the contacts, which support the simulation results. A comparison of the short circuit current and series resistance under illumination indicate a tradeoff between shadowing and series resistance, which may be overcome with modification to the device structure. Ultimately, these results show promise towards the development of high efficiency solar cells or radioisotope batteries, and offer a novel device structure for the incorporation of nano‐structures such as quantum wells or quantum dots. Copyright © 2010 John Wiley & Sons, Ltd.
The home for histrionism
Authors: Gore Whitney L. , Tomiatti Michele , Widiger Thomas A. 
Published: January 2011

AbstractOne of the official proposals for the fifth edition of the American Psychiatric Association's diagnostic manual (DSM‐5) is to provide a dimensional model in which 37 traits are included within six broad domains. One of the more important traits within this model is ‘histrionism’ because another proposal for DSM‐5 is to delete the histrionic diagnostic category. The only way to recover histrionic traits in DSM‐5 will be through the dimensional model. Histrionism, though, is included within the domain of antagonism of this dimensional model, despite the fact that previous research has consistently placed histrionic personality disorder within extraversion. The current study tests empirically whether histrionic personality traits are optimally placed within the domain of extraversion or antagonism through tests involving seven alternative measures of histrionic personality disorder, five scales to assess the DSM‐5 components of histrionism, 10 measures of various histrionic personality traits and two alternative measures of extraversion. The results of the study provide support for placing histrionism within antagonism and clarify the inconsistency of the DSM‐5 placement with the existing research, but also indicate that a more complete and accurate understanding of histrionism would include extraversion. The implications of the findings for DSM‐5 and future research are discussed. Copyright © 2010 John Wiley & Sons, Ltd.
Investigation of solubilization and digestion methods for microsomal membrane proteome analysis using data‐independent LC‐MSE
Authors: Mbeunkui Flaubert , Goshe Michael B. 
Published: January 2011

AbstractTo evaluate the implementation of various denaturants and their efficacy in bottom‐up membrane proteomic methods using LC‐MS analysis, microsomes isolated from tomato roots were treated with MS‐compatible surfactants (RapiGest SF Surfactant from Waters and PPS Silent Surfactant from Protein Discovery), a chaotropic reagent (guanidine hydrochloride), and an organic solvent (methanol). Peptides were analyzed in triplicate sample and technical replicates by data‐independent LC‐MSE analysis. Overall, 2333 unique peptides matching to 662 unique proteins were detected with the order of denaturant method efficacy being RapiGest SF Surfactant, PPS Silent Surfactant, guanidine hydrochloride, and methanol. Using bioinformatic analysis, 103 proteins were determined to be integral membrane proteins. When normalizing the data as a percentage of the overall number of peptides and proteins identified for each method, the order for integral membrane protein identification efficacy was methanol, guanidine hydrochloride, RapiGest SF Surfactant, and PPS Silent Surfactant. Interestingly, only 8% of the proteins were identified in all four methods with the silent surfactants having the greatest overlap at 17%. GRAVY analysis at the protein and peptide level indicated that methanol and guanidine hydrochloride promoted detection of hydrophobic proteins and peptides, respectively; however, trypsin activity in the presence of each denaturant was determined as a major factor contributing to peptide identification by LC‐MSE. These results reveal the complementary nature of each denaturant method, which can be used in an integrated approach to provide a more effective bottom‐up analysis of membrane proteomes than can be achieved using only a single denaturant.
Proteome analysis of wheat leaf rust fungus, Puccinia triticina, infection structures enriched for haustoria
Authors: Song Xiao , Rampitsch Christof , Soltani Bahram , Mauthe Wayne , Linning Rob , Banks Travis , McCallum Brent , Bakkeren Guus 
Published: January 2011

AbstractPuccinia triticina (Pt) is a representative of several cereal‐infecting rust fungal pathogens of major economic importance world wide. Upon entry through leaf stomata, these fungi establish intracellular haustoria, crucial feeding structures. We report the first proteome of infection structures from parasitized wheat leaves, enriched for haustoria through filtration and sucrose density centrifugation. 2‐D PAGE MS/MS and gel‐based LC‐MS (GeLC‐MS) were used to separate proteins. Generated spectra were compared with a partial proteome predicted from a preliminary Pt genome and generated ESTs, to a comprehensive genome‐predicted protein complement from the related wheat stem rust fungus, Puccinia graminis f. sp. tritici (Pgt) and to various plant resources. We identified over 260 fungal proteins, 16 of which matched peptides from Pgt. Based on bioinformatic analyses and/or the presence of a signal peptide, at least 50 proteins were predicted to be secreted. Among those, six have effector protein signatures, some are related and the respective genes of several seem to belong to clusters. Many ribosomal structural proteins, proteins involved in energy, general metabolism and transport were detected. Measuring gene expression over several life cycle stages of ten representative candidates using quantitative RT‐PCR, all were shown to be strongly upregulated and four expressed solely upon infection.
A combined free‐flow electrophoresis and DIGE approach to identify proteins regulated by butyrate in HT29 cells
Authors: Fung Kim Y. C. , Cursaro Chris , Lewanowitsch Tanya , Brierley Gemma V. , McColl Shaun R. , Lockett Trevor , Head Richard , Hoffmann Peter , Cosgrove Leah 
Published: January 2011

AbstractMany biologically active agents exert a pleiotropic response in cells and tissues. This presents challenges in descriptive and comparative analysis of the proteome in response to these agents. Although free‐flow electrophoresis has been applied in a number of proteomic studies as a protein separation technique, the combination of free‐flow electrophoresis and DIGE has not yet been investigated for comparative proteomic analysis. In this study, we have compared the effects of butyrate on HT29 colorectal cancer cells with a particular focus on apoptosis and describe the utility of a novel approach combining free‐flow electrophoresis with DIGE to identify differentially expressed proteins. We verify the results obtained by the combined free‐flow electrophoresis and DIGE approach with Western blot analysis of selected proteins. We also report for the first time the regulation of a number of proteins by butyrate in HT29 colorectal cells including peptidyl‐prolyl cis‐trans isomerase A (cyclophilin A) and profilin‐1.
The suzuki–heck polymerization as a tool for the straightforward obtainment of poly(fluorenylene‐vinylene) sensitizers for dye‐sensitized solar cells
Authors: Grisorio Roberto , Mastrorilli Piero , Suranna Gian Paolo , Cosma Pinalysa , De Marco Luisa , Manca Michele , Gigli Giuseppe 
Published: January 2011

AbstractThis article describes the synthesis and properties of the first poly(arylene‐vinylene)‐based sensitizers for application in dye‐sensitized solar cells (DSSC). The polymers were prepared by the Suzuki–Heck copolymerization of potassium vinyltrifluoroborate (PVTB) with a mixture of dibromoaryl comonomers designed to obtain macromolecules able to bind onto the photoelectrode by means of carboxyphenylene units. The copolymerization reactions were carried out in the presence of an excess of PVTB to lower the molecular weights of the polymers, which were obtained as soluble materials. The polymers poly[(9,9‐didodecyl‐2,7‐fluorenylene)‐vinylene‐co‐(carboxy‐2,5‐phenylene)‐vinylene] (P1), poly[(9,9‐didodecyl‐2,7‐fluorenylene)‐vinylene‐co‐(carboxy‐2,5‐phenylene)‐vinylene‐co‐(4,7‐benzothiadiazolylene)‐vinylene] (P2), and poly[(9,9‐didodecyl‐2,7‐fluorenylene)‐vinylene‐co‐(carboxy‐2,5‐phenylene)‐vinylene‐co‐2,5‐thienylene‐vinylene] (P3) were used in DSSC devices, obtaining conversion efficiencies up to 0.88% (P3). © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011
Oxidation of sec‐alcohols with Ru(II)‐bearing microgel star polymer catalysts via hydrogen transfer reaction: Unique microgel‐core catalysis
Authors: Terashima Takaya , Ouchi Makoto , Ando Tsuyoshi , Sawamoto Mitsuo 
Published: January 2011

AbstractOxidation of sec‐alcohols was investigated with ruthenium‐bearing microgel core star polymer catalysts [Ru(II)‐Star]. The star polymer catalysts were directly prepared via RuCl2(PPh3)3‐catalyzed living radical polymerization of methyl methacrylate (MMA), followed by the arm‐linking reaction with ethylene glycol dimethacrylate (1) in the presence of diphenylphosphinostyrene (2). The Ru(II)‐Star efficiently and homogeneously catalyzed the oxidation of 1‐phenylethanol (S1) to give a corresponding ketone (acetophenone) in higher yield (92%) than the analogs of polymer‐supported ruthenium complexes. Importantly, the star catalyst afforded high recycling efficiency in the oxidation. They held catalytic activity against three times catalysis even though they were recovered under air‐exposure, whereas the conventional RuCl2(PPh3)3 lost the activity for same recycling procedure due to the deactivation by oxygen. The stability of the star catalysts during the recycle experiment was confirmed by detailed spectroscopic characterization. The star polymers also catalyzed oxidation for a wide range of sec‐alcohols with aromatic and aliphatic groups. The substrate affinity was different from that with RuCl2(PPh3)3, suggesting the unique selectivity caused by the specific structure. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011.
Synthesis of polyethylene‐grafted multiwalled carbon nanotubes via a peroxide‐initiating radical coupling reaction and by using well‐defined TEMPO and thiol end‐functionalized polyethylenes
Authors: Akbar Sohaib , Beyou Emmanuel , Chaumont Philippe , Mazzolini Jérôme , Espinosa Edgar , D'agosto Franck , Boisson Christophe 
Published: January 2011

AbstractPolyethylene (PE), alkoxyamine‐ and thiol‐terminated PEs (PE‐TEMPO and PE‐SH, respectively) can be converted to macroradicals using a peroxide, a thermal cleavage of the alkoxyamine and a hydrogen transfer reaction of the thiol, respectively. The addition of these macroradicals to multiwalled carbon nanotubes (MWCNTs) were compared by performing grafting reactions at 160 °C in 1,3‐dichlorobenzene as solvent. Raman spectroscopy was utilized to follow the introduction of PE on the MWCNTs' surface while thermogravimetric and elemental analysis indicated the extent of this grafting. The grafting ratio was found to be in the range of 19–36 wt %. PE‐functionalized MWCNTs were imaged by transmission electronic microscopy showing a PE layer with various thicknesses covering the surface of nanotubes. It was found that higher levels of grafting were obtained using PE‐2,2,6,6‐tetramethylpiperidinyl‐1‐oxy and PE‐SH rather than a radical grafting reaction in which dicumyl peroxide, PE, and MWCNTs were reacted. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011
Synthesis and properties of bio‐based polyurethanes bearing hydroxy groups derived from alditols
Authors: Hashimoto Kazuhiko , Hashimoto Naoya , Kamaya Takehiko , Yoshioka Junya , Okawa Haruki 
Published: January 2011

AbstractFour kinds of bio‐based polyurethanes bearing hydroxy groups in the pendants were synthesized by the polyaddition of D‐mannitol‐ and D,L‐erythritol‐derived diols (1,2:5,6‐di‐O‐isopropylidene‐D‐mannitol and 1,2‐O‐isopropylidene‐D,L‐erythritol) with hexamethylene diisocyanate and methyl (S)‐2,6‐diisocyanatohexanoate and the subsequent deprotection of the isopropylidene groups. They were hydrolyzed much more quickly than the corresponding protected polyurethanes at 50 °C and pH 7.0, although their hydrolytic degradation rate was lower than that of polyurethanes with saccharic and glucuronic lactone groups, which had been reported in our previous articles. The introduction of D‐mannitol units to the polyether‐polyurethanes containing poly(oxytetramethylene) glycol units also enhanced their hydrolyzibility. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011
Synthesis of a variety of star‐shaped polybenzamides via chain‐growth condensation polymerization with tetrafunctional porphyrin initiator
Authors: Yoshino Kazuo , Yokoyama Akihiro , Yokozawa Tsutomu 
Published: January 2011

AbstractA variety of well‐defined tetra‐armed star‐shaped poly(N‐substituted p‐benzamide)s, including block poly(p‐benzamide)s with different N‐substituents, and poly(N‐substituted m‐benzamide)s, were synthesized by using porphyrin‐cored tetra‐functional initiator 2 under optimized polymerization conditions. The initiator 2 allowed discrimination of the target star polymer from concomitantly formed linear polymer by‐products by means of GPC with UV detection, and the polymerization conditions were easily optimized for selective synthesis of the star polybenzamides. Star‐shaped poly(p‐benzamide) with tri(ethylene glycol) monomethyl ether (TEG) side chain was selectively obtained by polymerization of phenyl 4‐{2‐[2‐(2‐methoxyethoxy)ethoxy]ethylamino}benzoate (1b′) with 2 at −10 °C in the case of [1b′]0/[2]0 = 40 and at 0 °C in the case of [1b′]0/[2]0 = 80. Star‐shaped poly(p‐benzamide) with 4‐(octyloxy)benzyl (OOB) substituent was obtained only when methyl 4‐[4‐(octyloxy)benzylamino]benzoate (1c) was polymerized at 25 °C at [1c]0/[2]0 = 20. On the other hand, star‐shaped poly(m‐benzamide)s with N‐butyl, N‐octyl, and N‐TEG side chains were able to be synthesized by polymerization of the corresponding meta‐substituted aminobenzoic acid alkyl ester monomers 3 at 0 °C until the ratio of [3]0/[2]0 reached 80. However, star‐shaped poly(m‐benzamide)s with the OOB group were contaminated with linear polymer even when the feed ratio of the monomer 3d to 2 was 20. The UV–visible spectrum of an aqueous solution of star‐shaped poly(p‐benzamide) with TEG side chain indicated that the hydrophobic porphyrin core was aggregated. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011
Syntheses of random PET‐co‐PTTs and some related copolyesters by entropically‐driven ring‐opening polymerizations and by melt blending: Thermal properties and crystallinity
Authors: Conzatti Lucia , Alessi Matteo , Stagnaro Paola , Hodge Philip 
Published: January 2011

AbstractA library of random poly(ethylene terephthalate) (PET), poly(trimethylene terephthalate) (PTT), and seven PET–PTT copolymers has been prepared in a high throughput manner by entropically‐driven ring‐opening polymerizations of the corresponding macrocyclic oligomers. The products have been investigated by differential scanning calorimetry and wide angle X‐ray diffraction. They show that the 50:50 copolymer displays a crystalline phase. The same phase can be formed by in situ transesterification when a 50:50 mixture of PET and PTT is melt blended. Poly(butylene terephthalate) (PBT)–PET and PTT–PBT 50:50 copolymers also show crystal phases. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011
Low molecular weight aromatic compounds possessing a nonflammable characteristic in fluoroalkyl end‐capped acrylic acid oligomer/silica nanocomposite matrices after calcination at 800 °C under atmospheric conditions
Authors: Sawada Hideo , Kikuchi Mieko , Nishida Masakazu 
Published: January 2011

AbstractFluoroalkyl end‐capped acrylic acid oligomer [RF‐(ACA)n‐RF] reacted with tetraethoxysilane and silica nanoparticles in the presence of low molecular weight aromatic compounds [Ar‐H] such as cetylpyridinium chloride (CPC) and bisphenol AF under alkaline conditions to afford RF‐(ACA)n‐RF/SiO2 nanocomposites‐encapsulated Ar‐H in 47–94% isolated yields. These fluorinated silica nanocomposites‐encapsulated Ar‐H can exhibit no weight loss behavior corresponding to the contents of Ar‐H after calcination at 800 °C under atmospheric conditions, although fluoroalkyl end‐capped acrylic acid oligomer in the nanocomposites decomposed completely under similar conditions. UV‐vis spectra of well‐dispersed methanol solutions of RF‐(ACA)n‐RF/SiO2/CPC nanocomposites before calcination show that CPC can be encapsulated into fluorinated silica nanocomposites with encapsulated ratios: 23–43%. The fluorinated nanocomposites after calcination was found to exhibit a higher antibacterial activity related to the presence of CPC in the composites. Encapsulated bisphenol AF into RF‐(ACA)n‐RF/SiO2 nanocomposites before and after calcination at 800 °C can exhibit a good releasing ability toward methanol with released ratios: 48 and 26%, respectively. 1H MAS NMR, HPLC analysis, and LC‐MS spectra of RF‐(ACA)n‐RF/silica nanocomposites‐encapsulated bisphenol AF also showed the presence of bisphenol AF in the nanocomposites even after calcination at 800 °C under atmospheric conditions. These findings suggest that CPC and bisphenol AF can exhibit a nonflammable characteristic in the fluorinated silica nanocomposites. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011
Multi‐functional initiator and poly(carboxybetaine methacrylamides) for building biocompatible surfaces using “nitroxide mediated free radical polymerization” strategies
Authors: Abraham Sinoj , Unsworth Larry D. 
Published: January 2011

AbstractBiomaterials generally suffer from rapid nonspecific protein adsorption, which initiates many deleterious host responses, and complex chemistries that are employed to facilitate cellular interactions. A chemical approach that, based upon current literature, combines a nonfouling architecture with a biomemtic cell‐adhesive end‐group, is presented. Namely, surface‐initiated polymerization of zwitterionic [poly (carboxybetaine methacrylamide)] brushes, with controlled charge densities and phosphonate head groups. Nitroxide mediated free radical polymerization (NMFRP) was employed for various reasons: reduces presence of potentially cytotoxic organometallic catalysts common in atom transfer radical polymerization (ATRP); and it allows a phosphonate end‐group instead of the common brominated end‐group. Thermally oxidized silicon wafers were covalently functionalized with diethyl‐(1‐(N‐(1‐(3‐(trimethoxysilyl)propylcarbamoyl)ethoxy)‐N‐tert‐butylamino)ethyl)phosphonate. NMFRP was used to graft zwitterionic carboxybetaine methacrylamide monomers of varying inter‐charge separation. The resulting thin films were characterized using Attenuated Total Reflectance‐Fourier Transform Infrared (ATR‐FTIR) and X‐ray photoelectron (XPS) spectroscopy, ellipsometry, water contact angle analysis, and thermo gravimetric analysis (TGA). The effect of spacer group on the surface charge density was determined using zeta potential techniques. It is thought that this stratagem will facilitate the ability to tailor systematically both the interior and terminal polymer properties, providing a platform for further understanding how these conditions affect protein adsorption as well as cell‐surface interactions. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011
Preparation of poly(p‐oxybenzoyl) crystals using direct polymerization of p‐hydroxybenzoic acid in the presence of boronic anhydrides
Authors: Kihara Masahiro , Kohama Shin‐Ichiro , Umezono Shota , Wakabayashi Kanji , Yamazaki Shinichi , Kimura Kunio 
Published: January 2011

AbstractPoly(p‐oxybenzoyl) (POB) crystals were prepared by reaction‐induced crystallization during direct polymerization of p‐hydroxybenzoic acid in the presence of boronic anhydrides. Polymerizations were carried out at 300 °C in dibenzyltoluene at a concentration of 1% with three kinds of anhydrides of boronic acid such as 3,4,5‐trifluorophenylboronic acid (TFB), 4‐methoxyphenylboronic acid (MPB) and 4‐biphenylboronic acid (BPB). The POB crystals were formed as precipitates in the solution and the morphology was considerably influenced by both the structure of the boronic anhydride and its concentration (cB). Needle‐like crystals were firmed in the presence of TFB anhydride (TFBA) at cBs of 5 and 10 mol % by the spiral growth of lamellae. Spherical aggregates of slab‐like crystals were formed at cBs from 50 to 100 mol %. The polymerization with MPB anhydride and BPB anhydride (BPBA) also yielded the needle‐like crystals at cBs of 50 and 5 mol %, respectively. The polymerization with TFBA at lower cB was favorable to prepare the needle‐like crystal. Molecular weight was also influenced by the structure of the boronic anhydride and cB. Mn increased generally with cB and BPBA gave the highest Mn of 14.7 × 103 at cB of 100 mol %. The loose packing of the molecules in the crystal caused by the bulkiness of the end‐groups made the polymerization in the crystals more efficiently. Morphology and molecular weight of the POB crystals could be controlled by the chemical structure and the content of boronic anhydride. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011.