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Boknam Chae, Deok Gi Hong, Young Mee Jung, Jong Chan Won, Seung Woo Lee
Immiscible aromatic polyimide (PI) blend films and a PI blend film incorporated with thermally conductive boron nitride (BN) were prepared, and their phase separation behaviors were examined by optical microscopy and FTIR imaging. The 2,2'-bis(trifluoromethyl)benzidine (TFMB)-containing and 4,4'-thiodianiline (TDA)-containing aromatic PI blend films and a PI blend/BN composite film show two clearly separated regions; one region is the TFMB-rich phase, and the other region is the TDA-rich phase. The introduction of BN induces morphological changes in the immiscible aromatic PI blend film without altering the composition of either domain...
January 10, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Kartik Pilar, Victor Balédent, Mehdi Zeghal, Patrick Judeinstein, Sangsik Jeong, Stefano Passerini, Steve Greenbaum
X-ray scattering measurements were utilized to probe the effects of pressure on a series of ionic liquids, N-alkyl-N-methyl-pyrrolidinium bis(trifluoromethanesulfonyl)imide (Pyr1A-TFSI) (A = 3, 6, and 9), along with mixtures of ionic liquid and 30 mol. % lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) salt. No evidence was found for crystallization of the pure ionic liquids or salt mixtures even at pressures up to 9.2 GPa. No phase separation or demixing was observed for the ionic liquid and salt mixtures...
January 21, 2018: Journal of Chemical Physics
Liumin Suo, Weijiang Xue, Mallory Gobet, Steve G Greenbaum, Chao Wang, Yuming Chen, Wanlu Yang, Yangxing Li, Ju Li
Lithium metal has gravimetric capacity ∼10× that of graphite which incentivizes rechargeable Li metal batteries (RLMB) development. A key factor that limits practical use of RLMB is morphological instability of Li metal anode upon electrodeposition, reflected by the uncontrolled area growth of solid-electrolyte interphase that traps cyclable Li, quantified by the Coulombic inefficiency (CI). Here we show that CI decreases approximately exponentially with increasing donatable fluorine concentration of the electrolyte...
January 19, 2018: Proceedings of the National Academy of Sciences of the United States of America
You-Jin Choi, Dong Zhou, Anne Barbosa, Yongdong Niu, Xiudong Guan, Meishu Xu, Songrong Ren, Thomas Nolin, Yiuhua Liu, Wen Xie
Acute kidney injury (AKI) is associate with high mortality. Despite the evidence of AKI-induced distant organ injury, a relationship between AKI and liver injury has not been clearly established. The goal of this study is to investigate whether renal ischemia-reperfusion (IR) can affect liver pathophysiology. We showed that renal IR in mice induced fatty liver and compromised liver function through the down-regulation of constitutive androstane receptor (CAR; -90.4%) and inhibition of hepatic very low-density lipoprotein-triglyceride (VLDL-TG) secretion (-28...
January 19, 2018: Molecular Pharmacology
E Liu, Fangfang Jian
Anionic water clusters have long been studied to infer properties of the bulk hydrated electron. In particular, the question of whether the excess electron is on the surface of the cluster or in the interior of the clusters has been the subject of much speculation. The successes of solid-state physics are built on exploiting the regularity of atomic arrangements in crystal. Describing the crystalline order of solids is relatively straightforward. Here we report the crystal structure of an anionic water cluster polymer [(H₂O)18(OH)₂]n2n- moiety that is stabilized by bis(2,2'-bipyridine) cupric chloride [Cu(bipy)₂Cl]- host...
January 19, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
Chiao-Yu Cheng, Rijul Dhanker, Christopher L Gray, Sukrit Mukhopadhyay, Eric R Kennehan, John B Asbury, Anatoliy Sokolov, Noel C Giebink
We report strong coupling between light and polaron optical excitations in a doped organic semiconductor microcavity at room temperature. Codepositing MoO_{3} and the hole transport material 4, 4^{'}-cyclohexylidenebis[N, N-bis(4-methylphenyl)benzenamine] introduces a large hole density with a narrow linewidth optical transition centered at 1.8 eV and an absorption coefficient exceeding 10^{4}  cm^{-1}. Coupling this transition to a Fabry-Pérot cavity mode yields upper and lower polaron polariton branches that are clearly resolved in angle-dependent reflectivity with a vacuum Rabi splitting ℏΩ_{R}>0...
January 5, 2018: Physical Review Letters
Whitney A Webre, Habtom B Gobeze, Shuai Shao, Paul A Karr, Katsuhiko Ariga, Jonathan P Hill, Francis D'Souza
A bis-crown ether-oxoporphyrinogen was newly synthesized and self-assembled concurrently with C60 alkyl ammonium cations at the crown ether sites and F- anions (through hydrogen bonding) at the oxoporphyrinogen core. Ultrafast photoinduced charge transfer processes within the donor-acceptor conjugate were promoted by fluoride ion binding and this was established using various spectroscopic methods and transient absorption studies.
January 19, 2018: Chemical Communications: Chem Comm
Georgia A Zissimou, Andreas Kourtellaris, Panayiotis A Koutentis
Isodiphenylfluorindine (5) reacts with K2Cr2O7/H+ to give 13-oxoisodiphenylfluorindinium perchlorate (7) (75%), but with phenyliodine bis(trifluoroacetate) (PIFA) or MnO2 it gives the zwitterionic and quinoidal cruciform 13,13'-dimers 11 (85%) and 12 (89%), respectively. The zwitterionic 13,13'-dimer 11 can be rapidly converted with MnO2 into the quinoidal 13,13'-dimer 12 (100%). UV-vis, NMR, single-crystal X-ray diffraction, and density functional theory studies support the structural assignments of all products...
January 19, 2018: Organic Letters
Nikolay V Kireev, Oleg A Filippov, Alexander A Pavlov, Lina M Epstein, Victor D Makhaev, Victor P Dyadchenko, Elena S Shubina, Natalia V Belkova
The interaction of trans-W(N2)2(dppe)2 (1; dppe = 1,2-bis(diphenylphosphino)ethane) with relatively weak acids (p-nitrophenol, fluorinated alcohols, CF3COOH) was studied by means of variable temperature IR and NMR spectroscopy and complemented by DFT/B3PW91-D3 calculations. The results show, for the first time, the formation of a hydrogen bond to the coordinated dinitrogen, W-N≡N···H-O, that is preferred over H-bonding to the metal atom, W···H-O, despite the higher proton affinity of the latter. Protonation of the core metal-the undesirable side step in the conversion of N2 to NH3-can be avoided by using weaker and, more importantly, bulkier acids...
January 19, 2018: Inorganic Chemistry
Antonios Chrysargyris, Omiros Antoniou, Andreas Tzionis, Munoo Prasad, Nikolaos Tzortzakis
Peat-based growing media are not ecologically sustainable and peat extraction threatens sensitive peatland ecosystem. In this study, olive-stone waste (OSW) and paper waste (PW) were used in different ratios-as growing media-for ornamental crop production, as peat (P) substitutes. Marigold (Calendula officinalis L.), petunia (Petunia x hybrita L.) and matthiola (Matthiola incana L.) plants were grown in (1) P (100%), (2) P:OSW (90%:10%), (3) P:OSW (70%:30%), and (4) P:OSW:PW (60%:20%:20%). The physicochemical properties of these substrates and the effects on plant growth were determined...
January 18, 2018: Environmental Science and Pollution Research International
Jorge I Martínez-Araya, Daniel Glossman-Mitnik
Ten functionals were used to assess their capability to compute a local reactivity descriptor coming from the Conceptual Density Functional Theory on a group of iron-based organometallic compounds that have been synthesized by Zohuri, G.H. et al. in 2010; these compounds bear the following substituent groups: H-, O2N- and CH3O- at the para position of the pyridine ring and their catalytic activities were experimentally measured by these authors. The present work involved a theoretical analysis applied on the aforementioned iron-based compounds thus leading to suggest a new 2,6-bis(imino)pyridine catalyst based on iron(II) bearing a fluorine atom whose possible catalytic activity is suggested to be near the catalytic activity of the complex bearing a hydrogen atom as a substituent group by means of the so called local hyper-softness (LHS) thus opening a chance to estimate a possible value of catalytic activity for a new catalyst that has not been synthesized yet without simulating the entire process of ethylene polymerization...
January 18, 2018: Journal of Molecular Modeling
Jessica K Bilyj, Mark J Riley, Paul V Bernhardt
The complexation of nickel(ii) with acetylacetonate bis(thiosemicarbazone) N2S2 ligands with varying substituents has revealed that two isomers can exist independently in solution. These isomers differ according to the formation of either a 5,6,5-membered (symmetric) or a 4,7,5-membered (asymmetric) chelate ring arrangement. These two isomers have distinctly different properties. The symmetric complex (sym-[Ni(acacR)]) is unstable in the presence of air and slowly converts to the oxidised analogue sym-[Ni(acacRO)] with a carbonyl group installed at the apical C-atom...
January 19, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
Sergey V Pyrlin, Nicholas D M Hine, Arjan W Kleij, Marta M D Ramos
The recently-observed self-assembly of certain salphen-based compounds into neuron-like networks of microrings interconnected with nano-thin strings may suggest a new highly-potent tool for nanoscale patterning. However, the mechanism behind such phenomena needs to be clarified before they can be applied in materials design. Here we show that, in contrast with what was initially presumed, the emergence of a "rings-and-rods" pattern is unlikely to be explained by merging, collapse and piercing of vesicles as in previously reported cases of nanorings self-assembly via non-bonding interactions...
January 19, 2018: Soft Matter
Nazanin Noori, Ron Wald, Arti Sharma Parpia, Marc B Goldstein
Background: Accurate assessment of total body water (TBW) is essential for the evaluation of dialysis adequacy (Kt/Vurea). The Watson formula, which is recommended for the calculation of TBW, was derived in healthy volunteers thereby leading to potentially inaccurate TBW estimates in maintenance hemodialysis recipients. Bioimpedance spectroscopy (BIS) may be a robust alternative for the measurement of TBW in hemodialysis recipients. Objectives: The primary objective of this study was to evaluate the accuracy of Watson formula-derived TBW estimates as compared with TBW measured with BIS...
2018: Canadian Journal of Kidney Health and Disease
André M Miranda, Zofia M Lasiecka, Yimeng Xu, Jessi Neufeld, Sanjid Shahriar, Sabrina Simoes, Robin B Chan, Tiago Gil Oliveira, Scott A Small, Gilbert Di Paolo
Defects in endolysosomal and autophagic functions are increasingly viewed as key pathological features of neurodegenerative disorders. A master regulator of these functions is phosphatidylinositol-3-phosphate (PI3P), a phospholipid synthesized primarily by class III PI 3-kinase Vps34. Here we report that disruption of neuronal Vps34 function in vitro and in vivo impairs autophagy, lysosomal degradation as well as lipid metabolism, causing endolysosomal membrane damage. PI3P deficiency also promotes secretion of unique exosomes enriched for undigested lysosomal substrates, including amyloid precursor protein C-terminal fragments (APP-CTFs), specific sphingolipids, and the phospholipid bis(monoacylglycero)phosphate (BMP), which normally resides in the internal vesicles of endolysosomes...
January 18, 2018: Nature Communications
Shogo Kumagai, Kotaro Hayashi, Tomohito Kameda, Naoya Morohashi, Tetsutaro Hattori, Toshiaki Yoshioka
The treatment of cesium-contaminated wastewater has become one of the biggest issues. The selective Cs+ removal from wastewater containing competitive alkali metal ions such as Na+ is desired to reduce the volume of sludge. Therefore, the present work focused on water-soluble calix[4]arene-bis-crown-6 (W-BisC6) to selectively capture Cs+. For characterization of the complex, UV-vis spectroscopy is commonly used, however, due to the limited availability of information it can be hard to quickly identify the specific structures of some complexes...
January 11, 2018: Chemosphere
Greta Babakhanova, Zeinab Parsouzi, Sathyanarayana Paladugu, Hao Wang, Yu A Nastishin, Sergij V Shiyanovskii, Samuel Sprunt, Oleg D Lavrentovich
We present a comprehensive set of measurements of optical, dielectric, diamagnetic, elastic, and viscous properties in the nematic (N) phase formed by a liquid crystalline dimer. The studied dimer, 1,7-bis-4-(4'-cyanobiphenyl) heptane (CB7CB), is composed of two rigid rodlike cyanobiphenyl segments connected by a flexible aliphatic link with seven methyl groups. CB7CB and other nematic dimers are of interest due to their tendency to adopt bent configurations and to form two states possessing a modulated nematic director structure, namely, the twist-bend nematic, N_{TB}, and the oblique helicoidal cholesteric, Ch_{OH}, which occurs when the achiral dimer is doped with a chiral additive and exposed to an external electric or magnetic field...
December 2017: Physical Review. E
Ute Lewitzka, Michael Bauer, Bettina Ripke, Thomas Bronisch, Lydia Günther
OBJECTIVES: The objective of this study was to prove concepts in the characterization of suicidal patients and the possible usefulness of those markers to potentially identify patients with a higher risk for suicidality. METHODS: Patients with a recent suicide attempt were compared with patients suffering from depression, adjustment disorder, anxiety, or eating disorders without suicidality, healthy controls and remitted patients with a history of at least 1 suicide attempt (≥1 year)...
January 18, 2018: Neuropsychobiology
Guang-Zu Wang, Rui Shang, Yao Fu
It is reported that Pd(PPh3)2Cl2 in combination with 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene (Xantphos) under irradiation of blue LEDs efficiently catalyzes a decarboxylative Heck reaction of vinyl arenes and vinyl heteroarenes with aliphatic N-(acyloxy)phthalimides at room temperature. A broad scope of secondary, tertiary, and quaternary carboxylates, including α-amino acid derived esters, can be applied as amenable substrates with high stereoselectivity. The experimental observation was explained by excitation-state reactivity of the palladium complex under irradiation to induce single-electron transfer to activate N-(acyloxy)phthalimides, and to suppress undesired β-hydride elimination of alkyl palladium intermediates...
January 18, 2018: Organic Letters
Jiri Brabec, Jakub Lang, Masaaki Saitow, Jiri Pittner, Frank Neese, Ondrej Demel
This article reports development of a local variant of Mukherjee's state specific multireference coupled cluster method based on the domain-based pair natural orbital approach (DLPNO-MkCC). The current implementation is restricted to connected single and double excitations and model space with up to biexcited references. The performance of the DLPNO-MkCCSD was tested on calculations of tetramethyleneethane. The results show that above 99.9% of correlation energy was recovered, with respect to the conventional MkCC method...
January 18, 2018: Journal of Chemical Theory and Computation
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