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Chunju Li, Suxiang Ma, Huanqing Chen, Jian Li, Xueshun Jia
Biphen[n]arenes (n = 3, 4) are a new family of macrocyclic hosts. Here we describe molecular recognition behaviour of hydroxylated biphen[4]arene (OHBP4) for the first time. A series of cationic guests with different size and shape, including quaternary ammonium salts (1*PF6 and 2*PF6), pyridinium-based guests (3*2PF6-6*2PF6) and cobaltocenium hexafluorophosphate (7*PF6), were chosen as the model guest molecules. OHBP4 exhibits good selectivity towards 2,7-dibutyldiazapyrenium bis(hexafluorophosphate) (4*2PF6) axle to form a [2]pseudorotaxane-type complex...
October 19, 2016: Chemistry, An Asian Journal
Amineh Aghabali, Sharon Jun, Marilyn M Olmstead, Alan L Balch
The photochemical reaction of piperazine with C70 produces a mono adduct (N(CH2CH2)2NC70) in high yield (67%) and three bis-adducts. These adducts combine with Lewis acids to form crystalline aggregates suitable for X-ray diffraction. The structure of (N(CH2CH2)2NC70) was determined from the adduct that formed by reaction of N(CH2CH2)2NC70 with I2. Crystals of polymeric {Rh2(O2CCF3)4N(CH2CH2)2NC70}n*nC6H6 from reaction of the mono adduct with Rh2(O2CCF3)4 contain a sinusoidal strand of alternating molecules of N(CH2CH2)2NC70 and Rh2(O2CCF3)4 connected through Rh-N bonds...
October 17, 2016: Chemistry: a European Journal
Teng-Fei Lu, Wei Li, Jie Chen, Fu-Quan Bai, Jian Wang, Ling-Jun He, Hong-Xing Zhang
In this work, we designed three dyes (Ru1, Ru2, and Ru3) by modifying the square-planar quadridentate ligand of the experimental Ru(ii) complex K1, [RuL(trans-NCS)2] with L = dimethyl-6,60-bis(methyl-2-pyridylamino)-2,20-bipyridine-4,40-dicarboxylate, from a theoretical viewpoint. As is known, K1 shows obvious advantages over the famous dye N749 in light absorption ability because of its highly conjugated ancillary ligands. Density functional theory and time-dependent density functional theory methods were used to determine the geometrical structures, electronic structures and absorption spectra of the dye complexes...
October 18, 2016: Physical Chemistry Chemical Physics: PCCP
Eun-Sun Hwang, Nhuan Do Thi
The objective of this study was to determine the effects of different growing regions on quality characteristics, total bioactive compound contents, and in vitro antioxidant activity in aronia. Aronia grown in 3 different regions (Sangjoo, Ulju, and Youngcheon) in Korea was obtained and used fresh or as a freeze-dried powder. No statistically significant differences were observed for moisture, ash, crude lipid, and crude protein contents in aronia sampled from the 3 different regions. Aronia grown in Sangjoo had the highest total acid content and the lowest sugar content and pH value...
September 2016: Preventive Nutrition and Food Science
Su Jin Kang, Ji Yeon Seo, Kye Man Cho, Chang Kwon Lee, Jeong Hwan Kim, Jong-Sang Kim
A new type of doenjang was manufactured by mixing soaked soybean, koji (Rhizopus oryzae), cheonggukjang (Bacillus amyloliquefaciens MJ1-4 and B. amyloliquefaciens EMD17), and Pichia farinosa SY80 as a yeast, salt, and water, followed by fermentation with koji that was made by fermenting whole wheat with R. oryzae. The mixed culture doenjang was designed to have a more palatable flavor and stronger biological activities than the conventional product. The extract of mixed culture doenjang showed higher antioxidant activity than the commercial doenjang as evaluated by the ferric reducing antioxidant power assay although it was not significantly different from the commercial product in 2,2-diphenyl-1-picrylhydrazyl and 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid) radical scavenging activities...
September 2016: Preventive Nutrition and Food Science
L X Quan, H X An, D X Wang
OBJECTIVE: To observe the effects of 0.4 μg/(kg×h) dose of dexmedetomidine on intra-operative wake-up test in children patients undergoing scoliosis surgery. METHODS: Sixty patients for posterior scoliosis correction (ASA I-II, aged 5-16 years) from March 2013 to April 2015 were enrolled in this prospective, double-blinded, randomized, placebo-controlled study, The patients were randomly classified into two groups to receive dexmedetomidine (group RD, n=30) or saline solution (group R, n=30)...
October 18, 2016: Beijing da Xue Xue Bao. Yi Xue Ban, Journal of Peking University. Health Sciences
Maximiliano L Agazzi, M Belén Ballatore, Eugenia Reynoso, Ezequiel D Quiroga, Edgardo N Durantini
Two cationic BODIPYs 3 and 4 were synthesized by acid-catalyzed condensation of the corresponding pyrrole and benzaldehyde, followed by complexation with boron and methylation. Compound 3 contains methyl at the 1,3,5 and 7 positions of the s-indacene ring and a N,N,N-trimethylamino group attached to the phenylene unit, while 4 is not substituted by methyl groups and the cationic group is bound by an aliphatic spacer. UV-visible absorption spectra of these BODIPYs show an intense band at ∼500 nm in solvents of different polarities and n-heptane/sodium bis(2-ethylhexyl)sulfosuccinate (AOT)/water reverse micelles...
October 3, 2016: European Journal of Medicinal Chemistry
Ishfaq A Sheikh, Iftikhar A Tayubi, Ejaz Ahmad, Majid A Ganaie, Osama S Bajouh, Samera F AlBasri, Ibtihal M J Abdulkarim, Mohd A Beg
Environmental contamination has been one of the major drawbacks of the industrial revolution. Several man-made chemicals are constantly released into the environment during the manufacturing process and by leaching from the industrial products. As a result, human and animal populations are exposed to these synthetic chemicals on a regular basis. Many of these chemicals have adverse effects on the physiological functions, particularly on the hormone systems in human and animals and are called endocrine disrupting chemicals (EDCs)...
October 14, 2016: Ecotoxicology and Environmental Safety
Yasemin Saygili, Magnus Söderberg, Norman Pellet, Fabrizio Giordano, Yiming Cao, Ana B Munoz-Garcia, Shaik Mohammed Zakeeruddin, Nick Vlachopoulos, Michele Pavone, Gerrit Boschloo, Ladislav Kavan, Jacques-E Moser, Michael Grätzel, Anders Hagfeldt, Marina Freitag
Redox mediators play a major role determining the photocurrent and the photovoltage in dye-sensitized solar cells (DSCs). To maintain the photocurrent, the reduction of oxidized dye by the redox mediator should be significantly faster than the back electron transfer between TiO2 and the oxidized dye. The driving force for dye regeneration with the redox mediator should be sufficiently low to provide high photovoltages. With our introduction of new copper complexes as promising redox mediators in DSCs both criteria are satisfied to enhance power conversion efficiencies...
October 17, 2016: Journal of the American Chemical Society
Emanuel Hupf, Ralf Kather, Matthias Vogt, Enno Lork, Stefan Mebs, Jens Beckmann
The previously reported bis(6-diphenylphosphinoacenaphth-5-yl)mercury (1) was used as ligand for the preparation of the copper(I) complexes, 1·CuCl and [1·Cu(NCMe)]BF4, which were characterized by multinuclear NMR spectroscopy and X-ray crystallography. DFT calculations employing topological analysis of the electron and electron pair densities within the AIM and ELI-D space-partitioning schemes revealed significant metallophilic Hg···Cu interactions. Evaluation of noncovalent bonding aspects according to the noncovalent interaction (NCI) index was applied not only for the Cu complexes 1·CuCl and [1·Cu(NCMe)]BF4 but also for the previously reported Ag and Au complexes, namely, [1·MCl] (M = Ag, Au) and [1·M(NCMe)n](+) (M = Ag, n = 2; M = Au, n = 0), and facilitated the assignment of attractive dispersive Hg···M interactions with the Hg···Cu contacts being comparable to the Hg···Ag but weaker than the Hg···Au interactions...
October 17, 2016: Inorganic Chemistry
Vincent Rampazzi, Julien Roger, Régine Amardeil, Marie-José Penouilh, Philippe Richard, Paul Fleurat-Lessard, Jean-Cyrille Hierso
A smart steric control of the metallocene backbone in bis- and poly(phosphino)ferrocene ligands favors intramolecular aurophilic interactions between [AuCl] fragments in polynuclear gold(I) complexes. We synthesized and characterized by multinuclear NMR and X-ray diffraction analysis mono-, di-, and polynuclear gold complexes of constrained ferrocenyl diphosphines, which bear either bulky tert-butyl groups or more flexible siloxane substituents at the cyclopentadienyl rings. The complexes meso-1,1'-bis(diphenylphosphino)-3,3'-di-tert-butylferrocene (4-m), rac-1,1'-bis[bis(5-methyl-2-furyl)phosphino]-3,3'-di-tert-butylferrocene (5-r), and rac-1,1'-bis(diphenylphosphino)-3,3'-bis[(tri-iso-propylsilyl)oxy]ferrocene (6-r) were used to form dinuclear gold complexes...
October 17, 2016: Inorganic Chemistry
Shuguang Chen, Hailang Jia, Mengxi Zheng, Kang Shen, Hegen Zheng
Herein we prepare four novel D-π-A dyes based on triphenylamine (ZHG1, ZHG2, ZHG3 and ZHG4) by modifying the π-bridges. Compared with ZHG1, the power conversion efficiency (PCE) of ZHG2 is improved to 6.1% after the introduction of ethynyl. But further extension of the conjugation of the π-bridges by introducing the chromophore 4,8-bis(n-octyloxy)-benzo[1,2-b:4,5-b']dithiophene (BDT) into ZHG3 conversely decreases the PCE to 4.6%. Improving the coplanarity by replacing cyclobenzene with thiophene in ZHG4 after introducing BDT further decreases the PCE of ZHG4 to 4...
October 17, 2016: Physical Chemistry Chemical Physics: PCCP
Xun Lu, Uwe Schneider
Catalysis using a bis(dialkylamino)cyclopropenylidene (BAC) has been developed, which relies on a formal umpolung activation of Michael acceptor pro-nucleophiles. Various aza-Morita-Baylis-Hillman reactions between aromatic, heteroaromatic, or aliphatic imines and acyclic or cyclic α,β-unsaturated ketones and carboxylic acid derivatives have been catalyzed by a BAC under mild conditions. Functionalities such as unprotected amino and hydroxy groups have been tolerated. The catalyst loading was decreased to 1 mol% without loss of activity...
October 17, 2016: Chemical Communications: Chem Comm
Augusto Rivera, Jicli José Rojas, Jaime Ríos-Motta, Michael Bolte
The title fluorinated bis-benzoxazine, C18H18F2N2O2, crystallizes with one half-mol-ecule in the asymmetric unit, which is completed by inversion symmetry. The fused oxazine ring adopts an approximately half-chair conformation. The two benzoxazine rings are oriented anti to one another around the central C-C bond. The dominant inter-molecular inter-action in the crystal structure is a C-H⋯F hydrogen bond between the F atoms and the axial H atoms of the OCH2N methyl-ene group in the oxazine rings of neighbouring mol-ecules...
October 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
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
Miguel Pinto, Indranil Chakraborty, Pradip Mascharak
The title compound, [Ag(qPyr)2]CF3SO3 where qPyr = 1-(quinoline-2-yl-methyl-ene)amino-pyrene, C26H16N2, was synthesized from a reaction of silver tri-fluoro-methane-sulfonate and qPyr in di-chloro-methane-methanol mixed media. In this design, the qPyr ligand was chosen for its characteristic excitation and emission profiles, which could enable the tracking of the silver complex within biological targets. The Ag(I) atom resides in a distorted tetra-hedral N4 coordination sphere. Analysis of the packing pattern revealed significant intra- and inter-molecular π-π stacking inter-actions between the [Ag(qPyr)2](+) cations...
October 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Stefan Suckert, Inke Jess, Christian Näther
The asymmetric unit of the title compound, [Ni(NCS)2(C5H4ClN)2(H2O)2], consists of one nickel(II) cation that is located on a center of inversion and one thio-cyanate anion, one water mol-ecule and one 2-chloro-pyridine ligand all occupying general positions. The Ni(II) cation is octa-hedrally coordinated by two terminal N-bound thio-cyanato ligands, two aqua ligands and two N-bound 2-chloro-pyridine ligands into discrete complexes. Individual complexes are linked by inter-molecular O-H⋯S and O-H⋯Cl hydrogen-bonding inter-actions into a layered network extending parallel to the bc plane...
October 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Fatima Setifi, Dohyun Moon, Robeyns Koen, Zouaoui Setifi, Morad Lamsayah, Rachid Touzani
The search for new mol-ecular materials with inter-esting magnetic properties using the pseudohalide azide ion and quinolin-8-amine (aqin, C9H8N2) as a chelating ligand, led to the synthesis and structure determination of the title complex, [Fe(N3)2(C9H8N2)2]. The complex shows an octa-hedral geometry, with the Fe(II) atom surrounded by six N atoms; the two N3(-) anions coordinate in a cis configuration, while the remaining N atoms originate from the two quinolin-8-amine ligands with the quinoline N atoms lying on opposite sides of the Fe atom...
October 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Rapidah Mohamad, Normah Awang, Nurul Farahana Kamaludin, Mukesh M Jotani, Edward R T Tiekink
The crystal and mol-ecular structures of two tri-phenyl-tin di-thio-carbamates, [Sn(C6H5)3(C16H16NS2)], (I), and [Sn(C6H5)3(C7H14NO2S2)], (II), are described. In (I), the di-thio-carbamate ligand coordinates the Sn(IV) atom in an asymmetric manner, leading to a highly distorted trigonal-bipyramidal coordination geometry defined by a C3S2 donor set with the weakly bound S atom approximately trans to one of the ipso-C atoms. A similar structure is found in (II), but the di-thio-carbamate ligand coordinates in an even more asymmetric fashion...
October 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Darcie L Stack, Jason D Masuda
The title compound, C27H38ClN2(+)·C32H12BF24(-), was synthesized by reacting the product formed from a previous reaction between 1,3-bis-(2,6-diiso-propyl-phen-yl)imidazolinium-2-carboxyl-ate (SIPrCO2), and SOCl2, with sodium tetra-kis-[3,5-bis-(tri-fluoro-meth-yl)phen-yl]borate (NaBARF). In the cation, the imidazole ring is in a half-chair conformation and the formerly carbene carbon atom is bonded in a distorted trigonal-planar geometry with N-C-Cl angles of 122.96 (16) and 122.21 (16)° and an N-C-N angle of 114...
October 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
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