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Nadzeya A Kukhta, Tomas Matulaitis, Dmytro Volyniuk, Khrystyna Ivaniuk, Pavlo Turyk, Pavlo Stakhira, Juozas Vidas Grazulevicius, Andrew P Monkman
Elaboration of the appropriate host materials proved to be not less important for the fabrication of a highly efficient OLED, than the design of emitters. In present work we show how by simple variation of molecular structure both blue emitters exhibiting delayed fluorescence and ambipolar high triplet energy hosts can be obtained. The compounds with para-junction revealed higher thermal stability (TID up to 480 oC), lower ionization potentials (5.51-5.60 eV), exclusively hole transport and higher photoluminescence quantum efficiencies (0...
December 11, 2017: Journal of Physical Chemistry Letters
Guo-Zhu Zhu, Yoshifumi Hashikawa, Yuan Liu, Qian-Fan Zhang, Ling-Fung Cheung, Yasujiro Murata, Lai-Sheng Wang
We report a photoelectron imaging study of cryogenically-cooled C59N- and (C59N)22- anions produced from electrospray ionization. High-resolution photoelectron spectra are obtained for C59N- for the first time, allowing seven vibrational frequencies of the C59N azafullerene to be measured. The electron affinity of C59N is determined accurately to be 3.0150 ± 0.0007 eV. The observed vibrational features are understood on the basis of calculated frequencies and compared with those of C60 and C59HN. The photoelectron image of (C59N)22-, which has the same mass/charge ratio as C59N-, is also observed, allowing the second electron affinity of the (C59N)2 azafullerene dimer to be measured as 1...
December 11, 2017: Journal of Physical Chemistry Letters
Takeshi Yoshida, Takamasa Ishidome, Rikinari Hanayama
Almost all types of cells secrete extracellular vesicles (EVs), including exosomes and microvesicles. EVs carry various proteins, lipids, mRNAs, and microRNAs, and may participate in many aspects of physiological and pathophysiological processes. Various studies are currently being conducted to develop therapeutic and diagnostic methods targeting or utilizing EVs. Therefore, developing ideal methods for isolating and quantifying EVs is an active area of research. EVs express phosphatidylserine on their outer lipid bilayer...
December 11, 2017: Current Protocols in Cell Biology
Tatiana Dib, Jonathan Martínez-Pinto, Miguel Reyes-Parada, Gonzalo E Torres, Ramón Sotomayor-Zárate
Research in programming is focused on the study of stimuli that alters sensitive periods in development, such as prenatal and neonatal stages, that can produce long-term deleterious effects. These effects can occur in various organs or tissues such as the brain, affecting brain circuits and related behaviors. Our laboratory has demonstrated that neonatal programming with sex hormones affects the mesocorticolimbic circuitry, increasing the synthesis and release of dopamine (DA) in striatum and nucleus accumbens (NAcc)...
December 5, 2017: Behavioural Brain Research
Charles J Titus, Michael L Baker, Sang Jun Lee, Hsiao-Mei Cho, William B Doriese, Joseph W Fowler, Kelly Gaffney, Johnathon D Gard, Gene C Hilton, Chris Kenney, Jason Knight, Dale Li, Ronald Marks, Michael P Minitti, Kelsey M Morgan, Galen C O'Neil, Carl D Reintsema, Daniel R Schmidt, Dimosthenis Sokaras, Daniel S Swetz, Joel N Ullom, Tsu-Chien Weng, Christopher Williams, Betty A Young, Kent D Irwin, Edward I Solomon, Dennis Nordlund
We present X-ray absorption spectroscopy and resonant inelastic X-ray scattering (RIXS) measurements on the iron L-edge of 0.5 mM aqueous ferricyanide. These measurements demonstrate the ability of high-throughput transition-edge-sensor (TES) spectrometers to access the rich soft X-ray (100-2000 eV) spectroscopy regime for dilute and radiation-sensitive samples. Our low-concentration data are in agreement with high-concentration measurements recorded by grating spectrometers. These results show that soft-X-ray RIXS spectroscopy acquired by high-throughput TES spectrometers can be used to study the local electronic structure of dilute metal-centered complexes relevant to biology, chemistry, and catalysis...
December 7, 2017: Journal of Chemical Physics
P B Armentrout, Maria Demireva, Kirk A Peterson
Previous work has shown that atomic samarium cations react with carbonyl sulfide to form SmS+ + CO in an exothermic and barrierless process. To characterize this reaction further, the bond energy of SmS+ is determined in the present study using guided ion beam tandem mass spectrometry. Reactions of SmS+ with Xe, CO, and O2 are examined. Results for collision-induced dissociation processes with all three molecules along with the endothermicity of the SmS+ + CO → Sm+ + COS exchange reaction are combined to yield D0(Sm+-S) = 3...
December 7, 2017: Journal of Chemical Physics
Wenwen Li, Yasunobu Ando, Emi Minamitani, Satoshi Watanabe
To clarify atomic diffusion in amorphous materials, which is important in novel information and energy devices, theoretical methods having both reliability and computational speed are eagerly anticipated. In the present study, we applied neural network (NN) potentials, a recently developed machine learning technique, to the study of atom diffusion in amorphous materials, using Li3PO4 as a benchmark material. The NN potential was used together with the nudged elastic band, kinetic Monte Carlo, and molecular dynamics methods to characterize Li vacancy diffusion behavior in the amorphous Li3PO4 model...
December 7, 2017: Journal of Chemical Physics
Jody Vykoukal, Nan Sun, Clemente Aguilar-Bonavides, Hiroyuki Katayama, Ichidai Tanaka, Johannes F Fahrmann, Michela Capello, Junya Fujimoto, Mitzi Aguilar, Ignacio I Wistuba, Ayumu Taguchi, Edwin J Ostrin, Samir M Hanash
Exosomes and other extracellular vesicles (EVs) have been implicated as mediators of intercellular communication. Their release into the circulation has the potential to inform about tumor status. In-depth proteomic characterization of plasma-derived EVs has been limited by challenges in isolating EVs from protein-abundant biological fluids. We implemented a novel single-step density gradient flotation workflow for efficient and rapid isolation of highly enriched circulating EVs from plasma. Mass-spectrometry analysis of plasma EVs from subjects with lung adenocarcinoma and matched controls resulted in the identification of 640 proteins...
November 10, 2017: Oncotarget
Benedikt Rösner, Florian Döring, Primož R Ribič, David Gauthier, Emiliano Principi, Claudio Masciovecchio, Marco Zangrando, Joan Vila-Comamala, Giovanni De Ninno, Christian David
High resolution metrology of beam profiles is presently a major challenge at X-ray free electron lasers. We demonstrate a characterization method based on beam imprints in poly (methyl methacrylate). By immersing the imprints formed at 47.8 eV into organic solvents, the regions exposed to the beam are removed similar to resist development in grayscale lithography. This allows for extending the sensitivity of the method by more than an order of magnitude compared to the established analysis of imprints created solely by ablation...
November 27, 2017: Optics Express
Marli Ferreira, Thamires S Moreira, Rodrigo Cristiano, Hugo Gallardo, Ahmed Bentaleb, Pierre Dechambenoit, Elizabeth A Hillard, Fabien Durola, Harald Reinhart Bock
Dibenzo[a,j]coronene-tetracarboxylic alkyl esters and imides with either a centrosymmetric bis-peri substitution pattern or a polar bis-ortho substitution pattern form hexagonal columnar mesophases, which in the case of the imides persist at room temperature. The bis-peri isomers are obtained via a two-fold oxidative photocyclization; the bis-ortho isomers are accessed via a glyoxylic Perkin reaction of triphenylene and naphthalene building blocks. Steric congestion between the substituents and the adjacent benzo protrusion in the bis-ortho esters and imides leads to bending of the aromatic plane, which thus avoids twisting...
December 8, 2017: Chemistry: a European Journal
Md Mainul Islam, Hussain Shareef, Azah Mohamed
The electric vehicle (EV) is considered a premium solution to global warming and various types of pollution. Nonetheless, a key concern is the recharging of EV batteries. Therefore, this study proposes a novel approach that considers the costs of transportation loss, buildup, and substation energy loss and that incorporates harmonic power loss into optimal rapid charging station (RCS) planning. A novel optimization technique, called binary lightning search algorithm (BLSA), is proposed to solve the optimization problem...
2017: PloS One
Andy Dang, Huong T H Nguyen, Heather Ruiz, Elettra Piacentino, Victor Ryzhov, Frantisek Turecek
Thymine cation-radicals were generated in the gas phase by collision-induced intramolecular electron-transfer in [Cu(2,2':6,2"-terpyridine)(thymine)]2+● complexes and characterized by ion-molecule reactions, UV-Vis photodissociation action spectroscopy, and ab initio and density functional theory calculations. The experimental results indicated the formation of a tautomer mixture consisting chiefly (77%) of non-canonical tautomers with a C-7-H2 group. The canonical 2,4-dioxo-N-1, N-3-H isomer was formed as a minor component at ca...
December 8, 2017: Journal of Physical Chemistry. B
Saheli Samanta, Sheeja Rajasingh, Nicholas Drosos, Zhigang Zhou, Buddhadeb Dawn, Johnson Rajasingh
Extracellular vesicles (EVs) comprise apoptotic bodies, microvesicles and exosomes, and they perform as key regulators in cell-to-cell communication in normal as well as diseased states. EVs contain natural cargo molecules, such as miRNA, mRNA and proteins, and transfer these functional cargos to neighboring cells or more distant cells through circulation. These functionally active molecules then affect distinct signaling cascades. The message conveyed to the recipient cells is dependent upon the composition of the EV, which is determined by the parent cell and the EV biogenesis...
December 7, 2017: Acta Pharmacologica Sinica
Leopold Scheffler, Mark Jonas Haastrup, Søren Roesgaard, John Lundsgaard Hansen, Arne Nylandsted Larsen, Brian Julsgaard
Tin nanocrystals embedded in a SiSn layer grown by molecular beam epitaxy on n-type Si are investigated by means of deep level transient spectroscopy. Two Sn related deep traps are observed, depending on the annealing temperature of the samples. A deep level at EC - 0.62 eV (Sn1) is observed for annealing temperatures up to 650 °C, whereas a level at EC - 0.53 eV (Sn2) appears for annealing temperatures above 600 °C. Scanning transmission electron microscopy shows the formation of Sn nanocrystals at 600 °C, which coincides with the appearance of Sn2...
December 8, 2017: Nanotechnology
Ge Xu, M D Barriga-Carrasco, A Blazevic, B Borovkov, D Casas, K Cistakov, R Gavrilin, M Iberler, J Jacoby, G Loisch, R Morales, R Mäder, S-X Qin, T Rienecker, O Rosmej, S Savin, A Schönlein, K Weyrich, J Wiechula, J Wieser, G Q Xiao, Y T Zhao
A novel method to determine the total hydrogen density and, accordingly, a precise plasma temperature in a lowly ionized hydrogen plasma is described. The key to the method is to analyze the energy loss of swift heavy ions interacting with the respective bound and free electrons of the plasma. A slowly developing and lowly ionized hydrogen theta-pinch plasma is prepared. A Boltzmann plot of the hydrogen Balmer series and the Stark broadening of the H_{β} line preliminarily defines the plasma with a free electron density of (1...
November 17, 2017: Physical Review Letters
A P Tsai, S Kameoka, K Nozawa, M Shimoda, Y Ishii
A clear correlation between electronic structure and CO2 selectivity for steam reforming of methanol (SRM) was obtained with PdZn, PtZn, NiZn, and PdCd intermetallics on the basis of experiments and calculations. In order to rule out the effects of oxide supports, the intermetallic powders were simply prepared by alloying in an arc furnace followed by crushing in a mortar. PdZn and PdCd exhibit valence electronic densities of states similar to that of Cu and significant chemical shifts (larger than 1 eV) of Pd 3d states with respect to pure Pd, as verified by high-resolution hard X-ray photoelectron spectroscopy (HXPS) measurements and density functional theory (DFT) calculations...
December 8, 2017: Accounts of Chemical Research
Biqiong Wang, Yang Zhao, Mohammad Norouzi Banis, Qian Sun, Keegan Adair, Ruying Li, Tsun-Kong Sham, Xueliang Sun
The development of solid-state electrolytes by atomic layer deposition (ALD) holds unparalleled advantages towards the fabrication of next-generation solid-state batteries. Lithium niobium oxide (LNO) thin films with well-controlled film thickness and composition were successfully deposited by ALD at a deposition temperature of 235 °C using lithium tert-butoxide and niobium ethoxide as Li and Nb sources, respectively. Furthermore, incorporation of higher Li content was achieved by increasing the Li to Nb subcycle ratio...
December 8, 2017: ACS Applied Materials & Interfaces
Olivier Toulemonde, Alexis Devoti, Patrick Rosa, Philippe Guionneau, Mathieu Duttine, Alain Wattiaux, Eric Lebraud, Nicolas Penin, Rodolphe Decourt, Alexandre Fargues, Sonia Buffière, Alain Demourgues, Manuel Gaudon
The synthesis of a Co-doped or Fe-doped La(Ga,Al)O3 perovskite via the Pechini process aimed to achieve a color change induced by temperature and associated with spin crossover (SCO). In Fe-doped samples, iron was shown to be in the high-spin state, whereas SCO from the low-spin to the high-spin configuration was detected in Co-doped compounds when the temperature increased. Fe-doped compounds clearly adopted the high-spin configuration even down to 4 K on the basis of Mössbauer spectroscopic analysis. The original SCO phenomenon in the Co-doped compounds LaGa1-xCoxO3 (0 < x < 0...
December 8, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
Katrine L Svane, Alexander C Forse, Clare P Grey, Gregor Kieslich, Anthony K Cheetham, Aron Walsh, Keith T Butler
Hybrid organic-inorganic perovskites represent a special class of metal-organic framework where a molecular cation is encased in an anionic cage. The molecule-cage interaction influences phase stability, phase transformations and the molecular dynamics. We examine the hydrogen bonding in four AmBX3 formate perovskites: [Am]Zn(HCOO)3, with Am+ = hydrazinium (NH2NH3+), guanidinium (C(NH2)3+), dimethylammonium (CH3)2NH2+ and azetidinium (CH2)3NH2+. We develop a scheme to quantify the strength of hydrogen bonding in these systems from first-principles, which separates the electrostatic interactions between the amine (Am+) and the BX3- cage...
December 8, 2017: Journal of Physical Chemistry Letters
Urszula Szczepaniak, Robert Kolos, Marcin Gronowski, Jean-Claude Guillemin, Claudine Crepin
This paper reports on UV-stimulated synthesis of methylcyanotriacetylene carried out in cryogenic rare gas matrices via coupling of smaller precursors: propyne and cyanodiacetylene. The detection was possible due to the strong visible  A3A'→  A1A1 phosphorescence of CH3C7N, discovered in the course of this work. The ensuing measurements of electronic spectroscopy revealed the formally forbidden B1E - X1A1 system, as well as the allowed one E1A1 - X1A1, with origins at approx. 3.32 eV and 5.4 eV, respectively...
December 7, 2017: Journal of Physical Chemistry. A
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