bluuebunny/crossref_metadata_2025_split huggingface dataset:
Selective and Potent Proteomimetic Inhibitors of Intracellular Protein–Protein Interactions
Authors: Barnard Anna , Long Kérya , Martin Heather L. , Miles Jennifer A. , Edwards Thomas A. , Tomlinson Darren C. , Macdonald Andrew , Wilson Andrew J. 
Published: February 2015

AbstractInhibition of protein–protein interactions (PPIs) represents a major challenge in chemical biology and drug discovery. α‐Helix mediated PPIs may be amenable to modulation using generic chemotypes, termed “proteomimetics”, which can be assembled in a modular manner to reproduce the vectoral presentation of key side chains found on a helical motif from one partner within the PPI. In this work, it is demonstrated that by using a library of N‐alkylated aromatic oligoamide helix mimetics, potent helix mimetics which reproduce their biophysical binding selectivity in a cellular context can be identified.
Condensed‐Phase, Halogen‐Bonded CF3I and C2F5I Adducts for Perfluoroalkylation Reactions
Authors: Sladojevich Filippo , McNeill Eric , Börgel Jonas , Zheng Shao‐Liang , Ritter Tobias 
Published: February 2015

AbstractA family of practical, liquid trifluoromethylation and pentafluoroethylation reagents is described. We show how halogen bonding can be used to obtain easily handled liquid reagents from gaseous CF3I and CF3CF2I. The synthetic utility of the new reagents is exemplified by a novel direct arene trifluoromethylation reaction as well as adaptations of other perfluoroalkylation reactions.
Formal anti‐Carbopalladation Reactions of Non‐Activated Alkynes: Requirements, Mechanistic Insights, and Applications
Authors: Pawliczek Martin , Schneider Tobias F. , Maaß Christian , Stalke Dietmar , Werz Daniel B. 
Published: February 2015

AbstractFormal anti‐carbopalladation reactions of CC triple bonds are uncommon, but highly useful transformations. Alkynes can be designed to give anti‐carbopalladation products. Prerequisite is the exclusion of other reaction pathways to provoke the cis–trans isomerization of the syn‐carbopalladation intermediate. Detailed mechanistic studies of this crucial step by experimental and computational means were performed. Application of an intramolecular version for the synthesis of oligocyclic compounds and substituted dibenzofurans is also described.
Development of new hybrid ultrafiltration membranes by entanglement of macromolecular PPSU‐SO3H chains: Preparation, morphologies, mechanical strength, and fouling resistant properties
Authors: Arumugham Thanigaivelan , Kaleekkal Noel Jacob , Doraiswamy Mohan 
Published: February 2015

ABSTRACTThe present work focuses on the preparation of Polyphenylsulfone (PPSU) membranes with enhanced antifouling surfaces through an incorporation of sulfonated Polyphenylsulfone (PPSU‐SO3H), which acts as both, surface modifying agent and macromolecular additive. Initially, Sulfonated polyphenylsulfone (PPSU‐SO3H) was synthesized by using chlosulfonic acid via bulk modification method. The degree of sulfonation (DS, %) of PPSU‐SO3H was calculated by using NMR (nuclear magnetic resonance).The phase inversion technique was used to prepare all asymmetric membranes by allowing the PPSU‐SO3H (different wt %) to entangle with the PPSU membrane matrix. All prepared membranes were characterized by using scanning electron microscope (SEM), X‐ray diffraction analysis (XRD), contact angle analysis (CA), mechanical strength analysis, molecular weight cut off (MWCO), porosity (%), mean pore size, and BSA adsorption studies. The performance efficiency of the membranes was evaluated by using BSA protein as a model foulant in terms of permeability, rejection (SR %), Rm (hydraulic resistance), Rc (cake layer resistance), Rp (pore plugging resistance), Rr (reversible fouling), Rir (irreversible fouling), and FRR (flux recovery ratio). © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41986.
Reduced percolation concentration in polypropylene/expanded graphite composites: Effect of viscosity and polypyrrole
Authors: Pionteck Jürgen , Melchor Valdez Elixana Maria , Piana Francesco , Omastová Mária , Luyt Adriaan Stephanus , Voit Brigitte 
Published: February 2015

ABSTRACTWith the goal to obtain material combining electrical and thermal conductivity at low filler loadings, composites based on polypropylenes (PP) and expanded graphite (EG) have been prepared. The effects of matrix viscosity and of coating the EG particles with polypyrrole (PPy, EG/PPy = 37.5/62.5 by weight) on the EG dispersibility and formation of percolation structures have been analyzed. When increasing the EG amount from 6 to 8 wt %, the electrical conductivity of PP/EG composites increased by 7–9 orders of magnitude, independent of matrix viscosity. When EG‐PPy is added, percolation was observed between 8 and 12 wt % EG‐PPy (3 and 4.5 wt % EG) in case of PP with higher viscosity and 6 wt % EG (2.25 wt % EG) in case of PP with lower viscosity, exhibiting a strong synergistic effect of EG and PPy in the latter case. In contrast, PPy does not contribute to reduction of thermal percolation concentration. Thermal percolation is observed at 8 wt % EG in PP/EG composites, but no percolation was found in PP/EG‐PPy composites with EG‐PPy contents of up to 20 wt %, corresponding to 7.5 wt % EG. Analyzing the melt rheology it becomes clear that the contribution of PPy to the formation of a filler network is strongly dependent on the matrix viscosity. The comparison of thermal, electrical and rheological percolation reveals that PPy participates in electron transport reducing the electrical percolation but not to heat transport. Overall, we found a good correlation between electrical, thermal, and melt rheological percolation concentrations. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41994.
Non‐catalyst synthesis and thermal behaviors of three‐arm star aliphatic polycarbonates
Authors: Zhou Yu , Zhou Wanlei , Ge Jun , Chen Hongxiang , Zhuang Bo 
Published: February 2015

ABSTRACTThree‐arm star aliphatic polycarbonates (TMP‐PDTCs) were successfully synthesized via the ring‐opening polymerization of 2,2‐dimethyl trimethylene carbonate (DTC) initiated by trimethylolpropane (TMP) in the absence of catalysts. The structure of TMP‐PDTCs was characterized by Fourier transform infrared (FTIR) spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, and gel permeation chromatography (GPC). The effects of reaction temperature, time, and the DTC/TMP molar feed ratio on the non‐catalyst polymerization were investigated. The thermal behaviors of TMP‐PDTCs were measured by differential scanning calorimetry (DSC). © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41998.
Anwendung von UHPC als direkt befahrener Aufbeton bei der Integralisierung eines bestehenden Brückenbauwerks in Österreich
Authors: Hadl Philipp , della Pietra Regina , Hoang Kim Huy , Tue Nguyen Viet , Pilch Erwin 
Published: February 2015

AbstractUltrahochleistungsbeton (UHPC) hat dank seiner hohen Festigkeiten und hervorragender Dauerhaftigkeit großes Potenzial für die Instandsetzung und Verstärkung von bestehenden Bauwerken. Die Umsetzung bei diesem Pilotprojekt erfolgt durch den Einsatz einer dünnen UHPC‐Schicht, die eine Tragfähigkeitserhöhung bewirken und gleichzeitig die Abdichtung sowie den bituminösen Belag ersetzen soll. Gewöhnliche Schwachstellen wie undichte Stellen oder Spurrillenbildung können so auf ein Minimum reduziert werden. Neben einer Druckfestigkeit von ca. 180 MPa lässt sich mit dem für das Pilotprojekt entwickelten Beton ein Gefälle von bis zu 4.5 % realisieren. Insgesamt wurden bei diesem Pilotprojekt über 40 m3 UHPC in einem gewöhnlichen Transportbetonwerk hergestellt und als Ortbeton auf der Baustelle eingebaut. Mit der Umsetzung dieses Pilotprojekts in Österreich konnte die Praxistauglichkeit der Verstärkungsmethode mit UHPC erprobt werden.Application of UHPC as road bridge topping within the adaptation of an existing conventional bridge to an integral abutment bridge in AustriaUltra‐high performance concrete (UHPC) has a high potential for the repair and retrofitting of existing reinforced concrete structures. A thin UHPC layer of a few centimeters can replace the waterproofing as well as the asphalt pavement and increase the load‐carrying capacity. Due to its excellent durability properties, a longer service life of bridge decks made of UHPC can be expected. This paper presents the application of UHPC in the renovation of an existing reinforced concrete motorway bridge in Austria. The development of a UHPC with a compressive strength of 180 MPa, which enables a superstructure with a cross slope up to 4.5 % was necessary for this pilot project. In total, more than 40 m3 UHPC were produced in a ready‐mix concrete plant and cast on site. Within this project a successful transfer of laboratory findings into practical productions under on‐site conditions was achieved.
Isolation of dextran‐hydrolyzing intestinal bacteria and characterization of their dextranolytic activities
Authors: Kim Jin Kyoung , Shin So‐Yeon , Moon Jin Seok , Li Ling , Cho Seung Kee , Kim Tae‐Jip , Han Nam Soo 
Published: February 2015

ABSTRACTThe aim of this study was to isolate dextran‐hydrolyzing bacteria from the human intestines and to identify their dextranolytic enzymes. For this, dextranase‐producing microorganisms were screened from fecal samples by using blue dextran‐containing media. Colonies producing a decolorized zone were isolated and they were grouped using RAPD‐PCR. 16S rRNA gene sequencing analysis revealed the isolates were Bacteroides (B.) thetaiotaomicron, B. ovatus, B. vulgatus, B. dorei, B. xylanisolvens, B. uniformis, and Veillonella (V.) rogosae. Thin layer chromatography analysis showed that the dextranases exhibit mainly endo‐type activity and produce various oligosaccharides including isomaltose and isomaltotriose. Zymogram analysis demonstrated that enzymes localized mainly in the cell membrane fraction and the molecular weight was 50–70 kDa. When cultured in a dextran‐containing medium, all strains isolated in this study produced short‐chain fatty acids, with butyric acid as the major compound. This is the first study to report that human intestinal B. xylanisolvens, B. dorei, and V. rogosae metabolize dextran utilizing dextranolytic enzymes. © 2015 Wiley Periodicals, Inc. Biopolymers 103: 321–327, 2015.
Stacking geometry for non‐canonical G:U wobble base pair containing dinucleotide sequences in RNA: dispersion‐corrected DFT‐D study
Authors: Mondal Manas , Mukherjee Sanchita , Halder Sukanya , Bhattacharyya Dhananjay 
Published: February 2015

ABSTRACTEmergence of thousands of crystal structures of noncoding RNA molecules indicates its structural and functional diversity. RNA function is based upon a large variety of structural elements which are specifically assembled in the folded molecules. Along with the canonical Watson‐Crick base pairs, different orientations of the bases to form hydrogen‐bonded non‐canonical base pairs have also been observed in the available RNA structures. Frequencies of occurrences of different non‐canonical base pairs in RNA indicate their important role to maintain overall structure and functions of RNA. There are several reports on geometry and energetic stabilities of these non‐canonical base pairs. However, their stacking geometry and stacking stability with the neighboring base pairs are not well studied. Among the different non‐canonical base pairs, the G:U wobble base pair (G:U W:WC) is most frequently observed in the RNA double helices. Using quantum chemical method and available experimental data set we have studied the stacking geometry of G:U W:WC base pair containing dinucleotide sequences in roll‐slide parameters hyperspace for different values of twist. This study indicates that the G:U W:WC base pair can stack well with the canonical base pairs giving rise to large interaction energy. The overall preferred stacking geometry in terms of roll, twist and slide for the eleven possible dinucleotide sequences is seen to be quite dependent on their sequences. © 2015 Wiley Periodicals, Inc. Biopolymers 103: 328–338, 2015.
d‐amino carboxamide‐based recruitment of dinitrophenol antibodies to bacterial surfaces via peptidoglycan remodeling
Authors: Fura Jonathan M. , Pires Marcos M. 
Published: February 2015

ABSTRACTDuring the past few decades there has been a rapid emergence of multidrug resistant bacteria afflicting human patients. At the same time, reduced output from pharmaceutical industry in this area precipitated a sharp decrease in the approval of new antibiotics. The combination of these factors potentially compromises the ability to effectively combat bacterial infections. While traditional drug discovery efforts continue in the pursuit of small molecule agents that disrupt bacterial growth, non‐traditional efforts could serve to complement antimicrobial strategies. We recently demonstrated our ability to remodel the surface of bacterial cells using unnatural d‐amino acids displaying the antigenic dinitrophenyl (DNP) handle. These immune stimulant d‐amino acids derivatives were metabolically incorporated onto the peptidoglycan of bacteria via a promiscuous surface‐anchored transpeptidase. The covalent modification of DNP moieties onto the peptidoglycan led to the anti‐DNP antibody opsonization of the bacterial cell surface. Herein, we show that the amidation of the C‐terminus to generate DNP‐displaying d‐amino carboxamide drastically improves antibody recruitment. Antibody opsonization using the d‐amino carboxamide agent is observed at lower concentrations than the d‐amino acid counterpart. In addition, the recruitment of endogenous antibodies in pooled human serum to the DNP‐modified bacterial cell surface is demonstrated for the first time. We envision that the C‐terminus amidation of DNP‐conjugated d‐amino acids could potentially facilitate translation of these results to in vivo animal disease models. © 2015 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 104: 351–359, 2015.
Noncoding RNA blockade of autophagy is therapeutic in medullary thyroid cancer
Authors: Gundara Justin S. , Zhao JingTing , Gill Anthony J. , Lee James C. , Delbridge Leigh , Robinson Bruce G. , McLean Catriona , Serpell Jonathan , Sidhu Stan B. 
Published: February 2015

AbstractMicro‐RNAs are dysregulated in medullary thyroid carcinoma (MTC) and preliminary studies have shown that miRNAs may enact a therapeutic effect through changes in autophagic flux. Our aim was to study the in vitro effect of miR‐9‐3p on MTC cell viability, autophagy and to investigate the mRNA autophagy gene profile of sporadic versus hereditary MTC. The therapeutic role of miR‐9‐3p was investigated in vitro using human MTC cell lines (TT and MZ‐CRC‐1 cells), cell viability assays, and functional mechanism studies with a focus on cell cycle, apoptosis, and autophagy. Post‐miR‐9‐3p transfection mRNA profiling of cell lines was performed using a customized, quantitative RT‐PCR gene array card. This card was also run on clinical tumor samples (sporadic: n = 6; hereditary: n = 6) and correlated with clinical data. Mir‐9‐3p transfection resulted in reduced in vitro cell viability; an effect mediated through autophagy inhibition. This was accompanied by evidence of G2 arrest in the TT cell line and increased apoptosis in both cell lines. Atg5 was validated as a predicted miR‐9‐3p mRNA target in TT cells. Post‐miR‐9‐3p transfection array studies showed a significant global decline in autophagy gene expression (most notably in PIK3C3, mTOR, and LAMP‐1). Autophagy gene mRNAs were generally overexpressed in sporadic (vs. hereditary MTC) and Beclin‐1 overexpression was shown to correlate with residual disease. Autophagy is a tumor cell survival mechanism in MTC that when disabled, is of therapeutic advantage. Beclin‐1 expression may be a useful prognostic biomarker of aggressive disease.
Children's consumption behavior in response to food product placements in movies
Authors: Matthes Jörg , Naderer Brigitte 
Published: February 2015

AbstractAlmost all research on the effects of product placements on children has focused on brand attitudes or behavioral intentions. Drawing on the important difference between attitudes or behavioral intentions on the one hand and actual behavior on the other, this paper tests the effects of brand placements on children's food consumption. Children from 6 to 14 years old were exposed to an excerpt of the popular movie Alvin and the Chipmunks, including placements for the product Cheese Balls. Three versions were created: one without placements, one with moderate placement frequency, and one with high placement frequency. Results showed that exposure to high‐frequency product placements exerted a significant effect on snack consumption, but no effect on brand or product attitudes. These effects were independent of children's ages. The findings are of great importance to consumer behavior scholars, nutrition experts, and policy regulators. Copyright © 2015 John Wiley & Sons, Ltd.
Raschig Super‐Ring Operating Characteristics in Unpulsed Liquid‐Liquid Extraction Columns
Authors: Hlawitschka Mark W. , Schmidt Stephan , Bart Hans‐Jörg , Schultes Michael 
Published: February 2015

AbstractRaschig Super‐Rings are well‐established in the field of rectification and absorption. Instead, the efficiency of these packings in liquid‐liquid extraction was not investigated till now. The application of Raschig Super‐Ring No. 0.3 and Raschig Super‐Ring No. 1 packings in unpulsed liquid‐liquid extraction columns of diameters DN 80 and DN 150 is investigated with respect to flooding point and efficiency. As a comparative study, 15‐mm and 25‐mm Pall‐Ring packings are used. The hydrodynamic studies indicate that the Raschig Super‐Ring offers a 9–10 % higher load capacity compared to the Pall‐Rings. In addition, the mass transport investigations performed using the test system toluene/acetone/water reveal that the height of transfer units (HTU) for the Raschig Super‐Ring No. 0.3 is higher than for the comparable 15‐mm Pall‐Ring. On average, the achieved difference of the HTU unit is 0.26 m.
Electrochemically and Chemically Induced Redox Processes in Molecular Machines
Authors: Le Poul Nicolas , Colasson Benoit 
Published: February 2015

AbstractThe controlled motion of ions, molecules, or supramolecular entities has inspired scientists for more than 25 years, and the concept remains of great interest for the development of moveable nanoscale objects for applications in electronics, medicine, and materials chemistry. Artificial molecular machines that involve electron exchange processes induced by electrical, chemical, or photochemical energy, have been widely developed. More specifically, machines that are stimulated by electrochemical means have been the focus of particular attention because such systems can allow the change of states to be followed and can enable access to mechanistic pathways through direct monitoring. Furthermore, these devices have the ability to connect the nanoscale machine to the macroscopic world, for instance by surface immobilization. In this review, we report recent examples of redox‐based molecular machines in both fluid solution and in organized or controllable environments such as modified electrodes, nanoparticles, polymers, gels, and liquid crystals. Basic concepts of molecular machinery and general applications are also discussed.
Multinuclear Diffusion NMR Spectroscopy and DFT Modeling: A Powerful Combination for Unraveling the Mechanism of Phosphoester Bond Hydrolysis Catalyzed by Metal‐Substituted Polyoxometalates
Authors: Luong Thi Kim Nga , Shestakova Pavletta , Mihaylov Tzvetan T. , Absillis Gregory , Pierloot Kristine , Parac‐Vogt Tatjana N. 
Published: February 2015

AbstractA detailed reaction mechanism is proposed for the hydrolysis of the phosphoester bonds in the DNA model substrate bis(4‐nitrophenyl) phosphate (BNPP) in the presence of the ZrIV‐substituted Keggin type polyoxometalate (Et2NH2)8[{α‐PW11O39Zr(μ‐OH) (H2O)}2]⋅7 H2O (ZrK 2:2) at pD 6.4. Low‐temperature 31P DOSY spectra at pD 6.4 gave the first experimental evidence for the presence of ZrK 1:1 in fast equilibrium with ZrK 2:2 in purely aqueous solution. Moreover, theoretical calculations identified the ZrK 1:1 form as the potentially active species in solution. The reaction intermediates involved in the hydrolysis were identified by means of 1H/31P NMR studies, including EXSY and DOSY NMR spectroscopy, which were supported by DFT calculations. This experimental/theoretical approach enabled the determination of the structures of four intermediate species in which the starting compound BNPP, nitrophenyl phosphate (NPP), or the end product phosphate (P) is coordinated to ZrK 1:1. In the proposed reaction mechanism, BNPP initially coordinates to ZrK 1:1 in a monodentate fashion, which results in hydrolysis of the first phosphoester bond in BNPP and formation of NPP. EXSY NMR studies showed that the bidentate complex between NPP and ZrK 1:1 is in equilibrium with monobound and free NPP. Subsequently, hydrolysis of NPP results in P, which is in equilibrium with its monobound form.
Radiofluorination of a Pre‐formed Gallium(III) Aza‐macrocyclic Complex: Towards Next‐Generation Positron Emission Tomography (PET) Imaging Agents
Authors: Bhalla Rajiv , Levason William , Luthra Sajinder K. , McRobbie Graeme , Sanderson George , Reid Gillian 
Published: February 2015

AbstractAs part of a study to investigate the factors influencing the development of new, more effective metal‐complex‐based positron emission tomography (PET) imaging agents, the distorted octahedral complex, [GaCl(L)]⋅2 H2O has been prepared by reaction of 1‐benzyl‐1,4,7‐triazacyclononane‐4,7‐dicarboxylic acid hydrochloride (H2L⋅HCl) with Ga(NO3)3⋅9 H2O, which is a convenient source of GaIII for reactions in water. Spectroscopic and crystallographic data for [GaCl(L)]⋅2 H2O are described, together with the crystal structure of [GaCl(L)]⋅MeCN. Fluorination of this complex by Cl−/F− exchange was achieved in high yield by treatment with KF in water at room temperature over 90 minutes, although the reaction was complete in approximately 30 minutes if heated to 80 °C, giving [GaF(L)]⋅2 H2O in good yield. The same complex was obtained by hydrothermal synthesis from GaF3⋅3 H2O and Li2L, and has been characterised by single‐crystal X‐ray analysis, IR, 1H and 19F{1H} NMR spectroscopy and ESI+ MS.Radiofluorination of the pre‐formed [GaCl(L)]⋅2 H2O has been demonstrated on a 210 nanomolar scale in aqueous NaOAc at pH 4 by using carrier‐free 18F−, leading to 60–70 % 18F‐incorporation after heating to 80 °C for 30 minutes. The resulting radioproduct was purified easily by using a solid‐phase extraction (SPE) cartridge, leading to 98–99 % radiochemical purity. The [Ga18F(L)] is stable for at least 90 minutes in 10 % EtOH/NaOAc solution at pH 6, but defluorinates over this time scale at pH of approximately 7.5 in phosphate buffered saline (PBS) or human serum albumin (HSA). The subtle role of the Group 13 metal ion and co‐ligand donor set in influencing the pH dependence of this system is discussed in the context of developing potential new imaging agents for PET.