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Core Stabilization

Thomas Sannicolo, Mélanie Lagrange, Anthony Cabos, Caroline Celle, Jean-Pierre Simonato, Daniel Bellet
Transparent electrodes attract intense attention in many technological fields, including optoelectronic devices, transparent film heaters and electromagnetic applications. New generation transparent electrodes are expected to have three main physical properties: high electrical conductivity, high transparency and mechanical flexibility. The most efficient and widely used transparent conducting material is currently indium tin oxide (ITO). However the scarcity of indium associated with ITO's lack of flexibility and the relatively high manufacturing costs have a prompted search into alternative materials...
October 18, 2016: Small
Yi-Hsuan Chen, Hua-Yi Hsu, Ming-Tyng Yeh, Chen-Cheng Chen, Chang-Yu Huang, Ying-Hsuan Chung, Zee-Fen Chang, Wei-Chen Kuo, Nei-Li Chan, Jui-Hsia Weng, Bon-Chu Chung, Yu-Ju Chen, Cheng-Bang Jian, Ching-Chieh Shen, Hwan-Ching Tai, Sheh-Yi Sheu, Jim-Min Fang
Targeting thymidylate kinase (TMPK) that catalyzes the phospho-transfer reaction for formation of dTDP from dTMP is a new strategy for anti-cancer treatment. This study is to understand the inhibitory mechanism of a previously identified human TMPK (hTMPK) inhibitor YMU1 (1a) by molecular docking, isothermal titration calorimetry, and photoaffinity labeling. The molecular dynamics simulation suggests that 1a prefers binding at the catalytic site of hTMPK, whereas the hTMPK inhibitors that bear pyridino[d]isothiazolone or benzo[d]isothiazolone core structure in lieu of the dimethylpyridine-fused isothiazolone moiety in 1a can have access to both the ATP-binding and catalytic sites...
October 17, 2016: Journal of Medicinal Chemistry
Martina I Gocke, Arnaud Huguet, Sylvie Derenne, Steffen Kolb, Michaela A Dippold, Guido L B Wiesenberg
Soils, paleosols and terrestrial sediments serve as archives for studying climate change, and represent important terrestrial carbon pools. Archive functioning relies on the chronological integrity of the respective units. Incorporation of younger organic matter (OM) e.g. by plant roots and associated microorganisms into deep subsoil and underlying soil parent material may reduce reliability of paleoenvironmental records and stability of buried OM. Long-term effects of sedimentary characteristics and deep rooting on deep subsoil microbial communities remain largely unknown...
October 13, 2016: Science of the Total Environment
Hien Van Nguyen, Van Hong Nguyen, Beom-Jin Lee
The objectives of the present study were to develop a controlled-release bilayered tablet of aceclofenac (AFN) 200mg with dual release and to gain a mechanistic understanding of the enhanced sustained release capability achieved by utilizing a binary mixture of the sustained release materials. Different formulations of the sustained-release layer were formulated by employing hydroxypropyl methylcellulose (HPMC) and hydroxypropyl cellulose (HPC) as the major retarding polymers. The in vitro dissolution studies of AFN bilayered tablets were carried out in intestinal fluid (pH 6...
October 12, 2016: International Journal of Pharmaceutics
Pil Seok Chae, Kyung Ho Cho, Orquidea Ribeiro, Yang Du, Elena Tikhonova, Jonas Mortensen, Kelsey Markham, Parameswaran Hariharan, Claus Løland, Lan Guan, Brian Kobilka, Bernadette Byrne
Detergents serve as useful tools for membrane protein structural and functional studies. Their amphipathic nature allows detergents to associate with the hydrophobic regions of membrane proteins whilst maintaining the proteins in aqueous solution. However, widely used conventional detergents have major limitations and thus there are major efforts to develop novel agents with improved properties. We prepared mesitylene-cored glucoside amphiphiles (MGAs) with three alkyl chains and compared these agents with previously developed xylene-linked maltoside agents (XMAs) with two alkyl chains and a conventional detergent (DDM)...
October 15, 2016: Chemistry: a European Journal
Holly Tiffany, Kanchan Sonkar, Matthew J Gage
The giant sarcomere protein titin is the third filament in muscle and is integral to maintaining sarcomere integrity as well as contributing to both active and passive tension. Titin is a multi-domain protein that contains regions of repeated structural elements. The N2A region sits at the boundary between the proximal Ig region of titin that is extended under low force and the PEVK region that is extended under high force. Multiple binding interactions have been associated with the N2A region and it has been proposed that this region acts as a mechanical stretch sensor...
October 11, 2016: Biochimica et Biophysica Acta
Jihyeon Kim, Ju Won Lim, Filipe Marques Mota, Ji-Eun Lee, Ramireddy Boppella, Keun Yong Lim, Kyungkon Kim, Won Kook Choi, Dong Ha Kim
Transparent conductive electrodes (TCEs) are widely used in a wide range of optical-electronic devices. Recently, metal nanowires (NWs), e.g. Ag and Cu, have drawn attention as promising flexible materials for TCEs. Although the study of core-shell metal NWs, and the encapsulation/overcoating of the surface of single-metal NWs have separately been an object of focus in the literature, herein for the first time we simultaneously applied both strategies in the fabrication of highly stable Ag-Cu NW-based TCEs by the utilization of Ag nanoparticles covered with reduced graphene oxide (rGO)...
October 14, 2016: Nanoscale
Chao Wang, François N Miros, Jiri Mareda, Naomi Sakai, Stefan Matile
Anion-π catalysis, that is the stabilization of anionic transition states on π-acidic aromatic surfaces, has so far been developed with naphthalenediimides (NDIs). This report introduces perylenediimides (PDIs) to anion-π catalysis. The quadrupole moment of PDIs (+23.2 B) is found to exceed that of NDIs and reach new records with acceptors in the core (+70.9 B), and their larger surface provides space to better accommodate chemical transformations. Unlike NDIs, the activity of PDI catalysts for enolate and enamine addition is determined by the twist of their π surface rather than their reducibility...
October 14, 2016: Angewandte Chemie
Laurent Piccolo, Z Y Li, Ilker Demiroglu, Florian Moyon, Zere Konuspayeva, Gilles Berhault, Pavel Afanasiev, Williams Lefebvre, Jun Yuan, Roy L Johnston
Heterogeneous catalysis, which is widely used in the chemical industry, makes a great use of supported late-transition-metal nanoparticles, and bimetallic catalysts often show superior catalytic performances as compared to their single metal counterparts. In order to optimize catalyst efficiency and discover new active combinations, an atomic-level understanding and control of the catalyst structure is desirable. In this work, the structure of catalytically active AuRh bimetallic nanoparticles prepared by colloidal methods and immobilized on rutile titania nanorods was investigated using aberration-corrected scanning transmission electron microscopy...
October 14, 2016: Scientific Reports
Pei T Mah, Dunja Novakovic, Jukka Saarinen, Stijn Van Landeghem, Leena Peltonen, Timo Laaksonen, Antti Isomäki, Clare J Strachan
PURPOSE: To investigate the effect of compression on the crystallization behavior in amorphous tablets using sum frequency generation (SFG) microscopy imaging and more established analytical methods. METHOD: Tablets containing neat amorphous griseofulvin with/without excipients (silica, hydroxypropyl methylcellulose acetate succinate (HPMCAS), microcrystalline cellulose (MCC) and polyethylene glycol (PEG)) were prepared. They were analyzed upon preparation and storage using attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy, scanning electron microscopy (SEM) and SFG microscopy...
October 13, 2016: Pharmaceutical Research
Gaixiu Yang, Dong Chen, Pengmei Lv, Xiaoying Kong, Yongming Sun, Zhongming Wang, Zhenhong Yuan, Hui Liu, Jun Yang
Bimetallic nanoparticles with core-shell structures usually display enhanced catalytic properties due to the lattice strain created between the core and shell regions. In this study, we demonstrate the application of bimetallic Au-Pd nanoparticles with an Au core and a thin Pd shell as cathode catalysts in microbial fuel cells, which represent a promising technology for wastewater treatment, while directly generating electrical energy. In specific, in comparison with the hollow structured Pt nanoparticles, a benchmark for the electrocatalysis, the bimetallic core-shell Au-Pd nanoparticles are found to have superior activity and stability for oxygen reduction reaction in a neutral condition due to the strong electronic interaction and lattice strain effect between the Au core and the Pd shell domains...
October 13, 2016: Scientific Reports
Jie Cao, Charl J Jafta, Jiang Gong, Qidi Ran, Xianzhong Lin, Roberto Félix, Regan G Wilks, Marcus Bär, Jiayin Yuan, Matthias Ballauff, Yan Lu
In this study, dispersible mesoporous nitrogen-doped hollow carbon nanoplates have been synthesized as a new anisotropic carbon nanostructure using gibbsite nanoplates as templates. The gibbsite-silica core-shell nanoplates were first prepared before the gibbsite core was etched away. Dopamine as carbon precursor was self-polymerized on the hollow silica nanoplates surface assisted by sonification, which not only favors a homogeneous polymer coating on the nanoplates but also prevents their aggregation during the polymerization...
October 13, 2016: ACS Applied Materials & Interfaces
Randy P Sabatini, Michael F Mark, Daniel J Mark, Mark W Kryman, Jacqueline E Hill, William W Brennessel, Michael R Detty, Richard Eisenberg, David W McCamant
Although rhodamine dyes have been extensively studied for a variety of applications, many details of their photophysics are not yet fully understood, including the possible presence of a charge separated electronic state lying near the optically active excited singlet state and the role of twisting substituent groups in excited-state quenching. To address this, a large library of rhodamine dyes was studied in which the chalcogen is varied from O, to S and Se and the aryl group is either absent (in the pyronin series) or is a phenyl or thienyl substituent...
October 13, 2016: Photochemical & Photobiological Sciences
Mohammad J Alhilaly, Megalamane S Bootharaju, Chakra P Joshi, Tabot M D Besong, Abdul-Hamid Emwas, Rosalba Juarez Mosqueda, Sami Kaappa, Sami Malola, Karim Adil, Aleksander Shkurenko, Hannu Häkkinen, Mohamed Eddaoudi, Osman M Bakr
Engineering the surface ligands of metal nanoparticles is critical in designing unique arrangements of metal atoms. Here, we report the synthesis and total structure determination of a large box-shaped Ag67 nanocluster (NC) protected by a mixed shell of thiolate (2,4-dimethylbenzenethiolate, SPhMe2) and phosphine (triphenylphosphine, PPh3) ligands. Single crystal X-ray diffraction (SCXRD) and electrospray ionization mass spectrometry (ESI-MS) revealed the cluster formula to be [Ag67(SPhMe2)32(PPh3)8]3+. The crystal structure shows an Ag23 metal core covered by a layer of Ag44S32P8 arranged in the shape of a box...
October 13, 2016: Journal of the American Chemical Society
Nitin Choudhary, Chao Li, Hee-Suk Chung, Julian Moore, Jayan Thomas, Yeonwoong Jung
Two-dimensional (2D) transition metal dichalcogenides (TMDs) have emerged as promising capacitive materials for supercapacitor devices owing to their intrinsically layered structure and large surface areas. Hierarchically integrating 2D TMDs with other functional nanomaterials have recently been pursued to improve electrochemical performances; however, it often suffers from limited cyclic stabilities and capacitance losses due to the poor structural integrity at the interfaces of randomly assembled materials...
October 12, 2016: ACS Nano
Ursula Schulze-Gahmen, Ignacia Echeverria, Goran Stjepanovic, Yun Bai, Huasong Lu, Dina Schneidman-Duhovny, Jennifer A Doudna, Qiang Zhou, Andrej Sali, James H Hurley
HIV-1 Tat hijacks the human superelongation complex (SEC) to promote proviral transcription. Here we report the 5.9 Å structure of HIV-1 TAR in complex with HIV-1 Tat and human AFF4, CDK9, and CycT1. The TAR central loop contacts the CycT1 Tat-TAR recognition motif (TRM) and the second Tat Zn(2+)-binding loop. Hydrogen-deuterium exchange (HDX) shows that AFF4 helix 2 is stabilized in the TAR complex despite not touching the RNA, explaining how it enhances TAR binding to the SEC 50-fold. RNA SHAPE and SAXS data were used to help model the extended (Tat Arginine-Rich Motif) ARM, which enters the TAR major groove between the bulge and the central loop...
October 12, 2016: ELife
Giuseppe Meola, Henrik Braband, Paul Schmutz, Michael Benz, Bernhard Spingler, Roger Alberto
The synthesis of mono- and difunctionalized [Re(η(6)-C6H5R)(η(6)-C6H6-nRn)](+) (n = 0, 1; R = COOH, Br) complexes starting from [Re(η(6)-benzene)2](+) is described. The lithiation of [Re(η(6)-benzene)2](+) with n-BuLi leads preferentially to the neutral, alkylated product [Re(η(6)-C6H6)(η(5)-C6H6-Bu)] but not to the expected deprotonation of the arene ring. Deprotonation/lithiation with LDA gave the mono- and the dilithiated products in situ. Their reactions with 1,1,2,2-tetra-bromoethane (TBE) or with CO2, respectively, gave [Re(η(6)-C6H5Br)(η(6)-C6H6)](+), [Re(η(6)-C6H5Br)2](+), or [Re(η(6)-C6H5COOH)(η(6)-C6H6)](+), [Re(η(6)-C6H5COOH)2](+)...
October 12, 2016: Inorganic Chemistry
Michael C Thompson, Jacob Ramsay, J Mathias Weber
In this work, we investigated how the reductive activation of CO2 with an atomic bismuth model catalyst changes under aprotic solvation. IR photodissociation spectroscopy of mass-selected [Bi(CO2 )n ](-) cluster ions was used to follow the structural evolution of the core ion with increasing cluster size. We interpreted the IR spectra by comparison with density-functional-theory calculations. The results show that CO2 binds to a bismuth atom in the presence of an excess electron to form a metalloformate ion, BiCOO(-) ...
October 12, 2016: Angewandte Chemie
Hong-Yan Zhuo, Hai-Feng Su, Zhao-Zhen Cao, Wei Liu, Shu-Ao Wang, Lei Feng, Gui-Lin Zhuang, Shui-Chao Lin, Mohamedally Kurmoo, Chen-Ho Tung, Di Sun, Lan-Sun Zheng
Cu(CF3 COO)2 reacts with tert-butylacetylene (tBuC≡CH) in methanol in the presence of metallic copper powder to give two air-stable clusters, [Cu(I)15 (tBuC≡C)10 (CF3 COO)5 ]⋅tBuC≡CH (1) and [Cu(I)16 (tBuC≡C)12 (CF3 COO)4 (CH3 OH)2 ] (2). The assembly process involves in situ comproportionation reaction between Cu(2+) and Cu(0) and the formation of two different clusters is controlled by reactants concentration. The clusters consist of Cu15 and Cu16 cores co-stabilized by strong by σ- and π-bonded tert-butylethynide and CF3 COO(-) (together with methanol molecule in 2)...
October 12, 2016: Chemistry: a European Journal
Thanh Van Nguyen, Daniel Wibberg, Kai Battenberg, Jochen Blom, Brian Vanden Heuvel, Alison M Berry, Jörn Kalinowski, Katharina Pawlowski
BACKGROUND: The ability to establish root nodule symbioses is restricted to four different plant orders. Soil actinobacteria of the genus Frankia can establish a symbiotic relationship with a diverse group of plants within eight different families from three different orders, the Cucurbitales, Fagales and Rosales. Phylogenetically, Frankia strains can be divided into four clusters, three of which (I, II, III) contain symbiotic strains. Members of Cluster II nodulate the broadest range of host plants with species from four families from two different orders, growing on six continents...
October 12, 2016: BMC Genomics
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