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Jie Gao, Narasimha Midde, Jun Zhu, Alvin V Terry, Campbell McInnes, James M Chapman
Using molecular modeling and rationally designed structural modifications, the multi-target structure-activity relationship for a series of ranitidine analogs has been investigated. Incorporation of a variety of isosteric groups indicated that appropriate aromatic moieties provide optimal interactions with the hydrophobic and π-π interactions with the peripheral anionic site of the AChE active site. The SAR of a series of cyclic imides demonstrated that AChE inhibition is increased by additional aromatic rings, where 1,8-naphthalimide derivatives were the most potent analogs and other key determinants were revealed...
October 6, 2016: Bioorganic & Medicinal Chemistry Letters
M Antonietta Baldo, Paolo Oliveri, Remo Simonetti, Salvatore Daniele
In this paper, a novel voltammetric/amperometric approach for the direct determination of free acidity (FFA, expressed as mass percentage of free oleic acid) in olive oil samples is presented. The method is based on the reduction processes occurring at a platinum microdisk electrode involving the free fatty acids present in the matrices. To overcome problems related to the low conductivity of the samples investigated, olive oils were mixed with suitable amounts of the room temperature ionic liquid (RTIL), tri-hexyl(tetradecyl)phosphonium bis (trifluoromethylsulfonyl) imide ([P14,6,6,6](+)[NTf2](-)), which acted as a supporting electrolyte...
December 1, 2016: Talanta
Dorimar Stiz, Adriana Campos, Ana Lúcia Tasca Gois Ruiz, João Ernesto de Carvalho, Rogério Corrêa, Valdir Cechinel-Filho
This work describes the antiproliferative potential of 14 cyclic imides (methylphtalimides, carboxylic acid phtalimides and itaconimides) against several human cancer cell lines. The antiproliferative effect was evaluated using the sulforhodamine B assay. Although some compounds from methylphtalimide and carboxylic acid phtalimide classes exhibited a selective antiproliferative activity, the itaconimides (11-14) exhibited the best results, especially compound 14, which presented a TGI (concentration that produces total growth inhibition) value of 0...
October 21, 2016: Zeitschrift Für Naturforschung. C, A Journal of Biosciences
Jana Jakubikova, Danka Cholujova, Teru Hideshima, Paulina Gronesova, Andrea Soltysova, Takeshi Harada, Jungnam Joo, Sun-Young Kong, Raphael E Szalat, Paul G Richardson, Nikhil C Munshi, David M Dorfman, Kenneth C Anderson
Specific niches within the tumor bone marrow (BM) microenvironment afford a sanctuary for multiple myeloma (MM) clones due to stromal cell-tumor cell interactions, which confer survival advantage and drug resistance. Defining the sequelae of tumor cell interactions within the MM niches on an individualized basis may provide the rationale for personalized therapies. To mimic the MM niche, we here describe a new 3D co-culture ex-vivo model in which primary MM patient BM cells are co-cultured with mesenchymal stem cells (MSC) in a hydrogel 3D system...
October 13, 2016: Oncotarget
Antonino Neri, Katia Todoerti, Marta Lionetti, Vittorio Simeon, Marzia Barbieri, Filomena Nozza, Gabriella Vona, Alessandra Pompa, Luca Baldini, Pellegrino Musto
Primary plasma cell leukemia (PPCL) is a rare and aggressive variant of multiple myeloma. The introduction of novel agents and modern technologies has recently partially changed the clinical and biological scenario of this malignancy, allowing limited, but not negligible, progresses. Areas covered: We will discuss the complex landscape of genetic alterations in PPCL, derived from conventional and high-throughput technologies; the best available treatments for PPCL; the possible future therapeutic perspectives...
October 19, 2016: Expert Review of Hematology
Dipankar Sahoo, Mihai Peterca, Emad Aqad, Benjamin E Partridge, Paul A Heiney, Robert Graf, Hans W Spiess, Xiangbing Zeng, Virgil Percec
Perylene bisimide derivatives (PBIs) are known to form only columnar or lamellar assemblies. There is no known example of a PBI self-assembling into a supramolecular sphere. Therefore, periodic and quasiperiodic arrays generated from spherical assemblies produced from PBIs are also not known. Here, a PBI functionalized at its imide groups with a second generation self-assembling dendron is reported to self-assemble into supramolecular spheres. These spheres self-organize in a body-centered cubic (BCC) periodic array, rarely encountered for self-assembling dendrons but often encountered in block copolymers...
October 19, 2016: Journal of the American Chemical Society
M T Camci, P Aydogan, B Ulgut, C Kocabas, S Suzer
We present an X-ray photoelectron spectroscopic (XPS) investigation of potential screening across two gold electrodes fabricated on a porous polymer surface which is impregnated with the ionic liquid (IL) N-N-diethyl-N-methyl-N-(2-methoxyethyl)ammonium bis(trifluoromethanesulfonyl)imide [DEME-TFSI]. The IL provides a sheet of conducting layers to the insulating polymer film, and allows monitoring charging and screening dynamics at the polymer + IL/vacuum interface in a laterally resolved fashion across the electrodes...
October 19, 2016: Physical Chemistry Chemical Physics: PCCP
Hui Zhang, Feng Liu, Zhigang Mou, Xiaofeng Liu, Jianhua Sun, Weiwei Lei
A heterojunction of crystalline poly(triazine imide) (PTI) nanosheets and ZnO quantum dots (QDs) (∼3 nm) was synthesized by a one-step ionothermal condensation of cyanamide. The resulting PTI/ZnO-QDs heterostructure exhibits a significantly enhanced H2 evolution to 63 times that of pure PTI and 3.4 times that of graphitic carbon nitride (g-C3N4) under visible light.
October 17, 2016: Chemical Communications: Chem Comm
Miguel Ángel Claudio-Catalán, Felipe Medrano, Hugo Tlahuext, Carolina Godoy-Alcántar
The asymmetric unit of the title compound, C56H50N6O8S2·3C6H4Cl2, contains two half-mol-ecules of the parent, A and B, which both have crystallographic inversion symmetry, together with three 2,3-di-chloro-benzene mol-ecules of solvation. Mol-ecules A and B are conformationally similar, with dihedral angles between the central naphthalenedi-imide ring and the peripheral naphthalene and benzyl rings of 2.43 (7), 81.87 (7)° (A) and 3.95 (7), 84.88 (7)° (B), respectively. The conformations are stabilized by the presence of intra-molecular π-π inter-actions between the naphthalene ring and the six-membered di-imide ring of the central naphthalenedi-imide moiety, with ring centroid-to-centroid distances of 3...
October 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
H H Quan, M Li, Y Huang, J-H Hahn
This paper demonstrates a novel compartmentalized sampling/labelling method and its separation techniques using a hydrophobic ionic liquid (IL) - 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)-imidate (BmimNTf2 ) - as the immiscible phase, which is capable of minimizing signal losses during microchip capillary electrophoresis (MCE). The MCE device consists of a silica tube connected to a straight polydimethylsiloxane (PDMS) separation channel. Poly(diallyldimethylammonium chloride) (PDDAC) was coated on the inner surface of channel to ease the introduction of IL plugs and enhance the IL wetting on the PDMS surface for sample releasing...
October 13, 2016: Electrophoresis
Maria B Mesch, Kilian Bärwinkel, Yaşar Krysiak, Charlotte Martineau, Francis Taulelle, Reinhard B Neder, Ute Kolb, Jürgen Senker
Poly(triazine imide) with incorporated lithium chloride has recently attracted substantial attention due to its photocatalytic activity for water splitting. However, an apparent H/Li disorder prevents the delineation of structure-property relationships, for example, with respect to band-gap tuning. Herein, we show that through a combination of one- and two-dimensional, multinuclear solid-state NMR spectroscopy, chemical modelling, automated electron diffraction tomography, and an analysis based on X-ray pair distribution functions, it is finally possible to resolve the H/Li substructure...
October 13, 2016: Chemistry: a European Journal
Qiang Ma, Xingguo Qi, Bo Tong, Yuheng Zheng, Wenfang Feng, Jin Nie, Yongsheng Hu, Hong Li, Xuejie Huang, Liquan Chen, Zhi-Bin Zhou
Solid polymer electrolytes (SPEs) would be promising candidates for application in high-energy rechargeable lithium (Li) batteries to replace the conventional organic liquid electrolytes, in terms of the enhanced safety and excellent design flexibility. Herein, we report novel perfluorinated sulfonimide salt-based SPEs, composed of lithium (trifluoromethanesulfonyl)(n-nonafluorobutanesulfonyl)imide (Li[(CF3SO2)(n-C4F9SO2)N, LiTNFSI) and poly(ethylene oxide) (PEO), which exhibit relatively efficient ionic conductivity (e...
October 11, 2016: ACS Applied Materials & Interfaces
Hsin-Che Lu, Sheng-Yuan Kao, Hsin-Fu Yu, Ting-Hsiang Chang, Chung-Wei Kung, Kuo-Chuan Ho
Herein, three kinds of viologens-based electrochromic devices (ECDs) (heptyl viologen (HV(BF4)2), octyl viologen (OV(BF4)2), and nonyl viologen (NV(BF4)2)) were fabricated utilizing ferrocene (Fc) as a redox mediator. Among them, the NV(BF4)2-based ECD exhibits the highest coloration efficiency (36.2 cm2/C) owing to the lowest driving energy. Besides, switching between 0 and 1.2 V, the NV(BF4)2-based ECD shows a desirable initial transmittance change (∆T = 56.7% at 605 nm), and long-term stability (∆T = 45...
October 11, 2016: ACS Applied Materials & Interfaces
Kaoru Nakajima, Enkhbayar Zolboo, Tomohiro Ohashi, Martin Lísal, Kenji Kimura
In order to reveal the surface structures of large molecular ionic liquids (ILs), the near-surface elemental depth distributions of 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([CnC1Im][Tf2N], n = 2, 6, 10) were studied using high-resolution Rutherford backscattering spectroscopy (HRBS) in combination with high-resolution elastic recoil detection analysis (HR-ERDA). The elemental depth profiles of all constituent elements, including hydrogen, were derived from HR-ERDA/HRBS measurements, so that the profiles would reproduce both HR-ERDA and HRBS spectra simultaneously...
2016: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
Karina Hoher, Piercarlo F Cardoso, Luiz F Lepre, Rômulo A Ando, Leonardo J A Siqueira
An investigation comprising experimental techniques (absorption capacity of SO2 and vibrational spectroscopy) and molecular simulations (thermodynamics, structure, and dynamics) has been performed for the polymer poly(ethylene oxide) (PEO), the ionic liquid butyltrimethylammonium bis(trifluoromethylsulfonyl)imide ([N4111][Tf2N]) and their mixtures as sulfur dioxide (SO2) absorbing materials. The polymer PEO has higher capacity to absorb SO2 than the neat ionic liquid, whereas the mixtures presented intermediary absorption capacities...
October 10, 2016: Physical Chemistry Chemical Physics: PCCP
R B Murphy, R E Norman, J M White, M V Perkins, M R Johnston
The synthesis of a tetra-porphyrin molecular tweezer with two binding sites is described. The bis-porphyrin binding sites are aligned by a polycyclic scaffold and linked via a freely rotating phenyl diimide core. Synthesis was achieved using a divergent approach employing a novel coupling method for linking two polycyclic units to construct the core, with a copper(ii)-mediated phenyl boronic acid coupling found to extend to our polycyclic imide derivative. We expect this chemistry to be a powerful tool in accessing functional polycyclic supramolecular architectures in applications where north/south reactivity and/or directional interactions between modules are important...
September 21, 2016: Organic & Biomolecular Chemistry
Lars H Jepsen, Peikun Wang, Guotao Wu, Zhitao Xiong, Flemming Besenbacher, Ping Chen, Torben R Jensen
Sodium amide, NaNH2, has recently been shown to be a useful catalyst to decompose NH3 into H2 and N2, however, sodium hydroxide is omnipresent and commercially available NaNH2 usually contains impurities of NaOH (<2%). The thermal decomposition of NaNH2 and NaNH2-NaOH composites is systematically investigated and discussed. NaNH2 is partially dissolved in NaOH at T > 100 °C, forming a non-stoichiometric solid solution of Na(OH)1-x(NH2)x (0 < x < ∼0.30), which crystallizes in an orthorhombic unit cell with the space group P212121 determined by synchrotron powder X-ray diffraction...
September 14, 2016: Physical Chemistry Chemical Physics: PCCP
Erwan Coadou, Peter Goodrich, Alex R Neale, Laure Timperman, Christopher Hardacre, Johan Jacquemin, Mérièm Anouti
During this work, a novel series of hydrophobic room temperature ionic liquids (ILs) based on five ether functionalized sulfonium cations bearing the bis{(trifluoromethyl)sulfonyl}imide, [NTf2]- anion were synthesized and characterized. Their physicochemical properties, such as density, viscosity and ionic conductivity, electrochemical window along with thermal properties including phase transition behavior and decomposition temperature, have been measured. All of these ILs showed large liquid range temperature, low viscosity and good conductivity...
October 7, 2016: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
Mohammad H Kowsari, Leila Tohidifar
All-atom molecular dynamics (MD) simulations of the ionic liquid (IL) 1-hexyl-2,3-dimethylimidazolium bis(fluorosulfonyl)imide ([C6mmim][FSI]) and its binary mixtures with acetonitrile (ACN) have been reported for the first time. The presence of ACN as a cosolvent, similar to the effect of increasing temperature, causes enhancements in the ion translational motion and fluidity of the IL, leading to significant improvement of ionic conductivity and self-diffusion, which is well explained by a microscopic structural analysis...
October 7, 2016: Journal of Physical Chemistry. B
Shicheng Shi, Roman Szostak, Michal Szostak
Samarium diiodide-water (SmI2-H2O) reagents have emerged as some of the most practical systems enabling reduction and reductive cyclizations of ketyl radicals. Recently, this reaction manifold has been extended to acyl-type radicals generated from cyclic polar carboxylic acid derivatives. However, the relationship between the fundamental electron- and proton-transfer steps in the generation of ketyl-type radicals with SmI2-H2O remains unclear. An intriguing scenario involves an initial proton-coupled electron transfer (PCET) mechanism from SmI2-H2O to the carbonyl group...
September 26, 2016: Organic & Biomolecular Chemistry
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