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Adrian Meule, Martina de Zwaan, Astrid Müller
BACKGROUND: Impulsivity is a multifaceted construct and constitutes a common risk factor for a range of behaviors associated with poor self-control (e.g., substance use or binge eating). The short form of the Barratt Impulsiveness Scale (BIS-15) measures impulsive behaviors related to attentional (inability to focus attention or concentrate), motor (acting without thinking), and non-planning (lack of future orientation or forethought) impulsivity. Eating-related measures appear to be particularly related to attentional and motor impulsivity and recent findings suggest that interactive effects between these two facets may play a role in eating- and weight-regulation...
October 5, 2016: Comprehensive Psychiatry
Meng Wang, Ian Tietjen, Min Chen, David E Williams, Julie Daoust, Mark A Brockman, Raymond J Andersen
Eight new sesterterpenoids, alotaketals D (8) and E (9), ansellones D (10), E (11), F (12), and G (13), anvilones A (14), and B (15), have been isolated from extracts of the marine sponge Phorbas sp. collected in Howe Sound British Columbia and their structures have been elucidated by analysis of NMR and MS data. Ansellone F (12) contains a rare 1,2-3,4 bis epoxy decalin substructure. Anvilones A (14) and B (15) have the unprecedented tetracylic anvilane terpenoid carbon skeleton. Using a cell culture model of latent HIV-1 infection, ansellone A (3), alotaketal D (8), and anvilone A (14) were found to induce HIV proviral gene expression similar to a control compound prostratin (1), while the known sesterterpenoid alotaketal C (2), isolated from the same extract, was more potent and gave a stronger response than prostratin (1)...
October 21, 2016: Journal of Organic Chemistry
Cleve Dionel Mboyi, Carine Maaliki, Amelle Mankou Makaya, Yves Canac, Carine Duhayon, Remi Chauvin
With the view to enhancing the unique coordinating ability of the known phenyl-tetrakis(diisopropylamino)dicyclopropeniophosphine (Ph-DCP), replacement of the phenyl substituent by a tert-butyl substituent was envisaged. Both α-dicationic R-DCP phosphines, with R = Ph and (t)Bu, were prepared in 54%-55% yield by substitution of RPCl2 with two equivalents of bis(diisopropylamino)-dicyclopropenylidene (BAC) and metathesis with NaBF4. This method is implicitly consistent with the representation of R-DCPs as BAC-phosphenium adducts...
October 21, 2016: Inorganic Chemistry
Jinchun Qiu, Daniel K Unruh, Anthony Frank Cozzolino
Density Functional Theory calculations were used to design an anion receptor that utilizes antimony(III) secondary bonding interactions. Calculations were performed on promising motifs found in the chemical literature where two antimony sites were found in close proximity to a halide anion. The study was extended to a structurally related class of 1,3,2-benzodioxastibole derivatives to elucidate their potential for binding halide ions. Multiple geometric conformations were evaluated and various ratios of halide anions were considered...
October 21, 2016: Journal of Physical Chemistry. A
Guoping Li, Pengfei Hao, Junju Shen, Tanlai Yu, Huihui Li, Yunlong Fu
Matched with 3,5-bis(pyridine-2-yl)-1,2,4-triazole (2-bpt), a new electron donor-acceptor-based chlorobismuthate(III) hybrid, [2-bpt]2[Bi2Cl10(H2O)]·5H2O was prepared solvothermally and characterized. The title compound (hydrated form) and its dehydrated form exhibit photo- and thermo-induced intermolecular electron transfer (ET), which correspond to dual ET photo/thermochromism for hydrated form, charge transfer thermochromism during dehydration, and simultaneously photoluminescent responses, respectively...
October 21, 2016: Inorganic Chemistry
Oriana Brea, Ines Corral Perez, Otilia Mo, Manuel Yañez, Ibon Alkorta, Jose Elguero
Through the use of high-level ab initio and density functional calculations we have shown that 1,8-diBeX-naphthalene (X = H, F, Cl, CN, CF₃, C(CF₃)₃) derivatives behave as anion sponges, very much as 1,8-bis(dimethylamino)naphthalene derivatives behave as proton sponges. The electron deficient nature of the BeX substituents, which favors strong charge transfer from the anion towards the former, results into anion affinities which are among the largest ones reported in the literature for single neutral molecules...
October 21, 2016: Chemistry: a European Journal
Juntian Zhang, Dawen Niu, Vincent A Brinker, Thomas R Hoye
Benzynes produced thermally by the cycloisomerization of triyne-containing precursors [i.e., by the hexadehydro-Diels-Alder (HDDA) reaction] react with phenols at the carbon ortho to the hydroxyl in an enelike fashion. Following tautomerization of the intermediate cyclohexadienones, this produces biaryl derivatives. DFT calculations of model reactions support this mechanistic interpretation. Substituted, unsymmetrical phenols and bis-phenols react in a fashion that can be explained by engagement of the most readily available (non-hydrogen-bonded) hydroxyl in the phenol-ene process...
October 21, 2016: Organic Letters
Kamran Balighi, Maryam Daneshpazhooh, Nessa Aghazadeh, Vahide Saeidi, Farzam Shahpouri, Pardis Hejazi, Cheyda Chams-Davatchi
HINTERGRUND UND ZIELE: Pemphigus vulgaris (PV) wird in der Regel mit systemischen Corticosteroiden und Immunsuppressiva behandelt. Avaskuläre Nekrose (AVN) des Hüftkopfes ist eine gut bekannte schwerere Komplikation einer Corticosteroid-Therapie. Die Charakteristika dieser schweren Komplikation bei PV sind nach wie vor unbekannt. PATIENTEN UND METHODEN: Nicht kontrollierte, retrospektive Untersuchung aller PV-bedingten AVN-Fälle, die in einer iranischen Klinik für bullöse Autoimmunerkrankungen zwischen 1985 und 2013 diagnostiziert wurden...
October 2016: Journal der Deutschen Dermatologischen Gesellschaft, Journal of the German Society of Dermatology: JDDG
Mirjana Milinković, Slavenka Janković, Ljiljana Medenica, Miloš Nikolić, Vesna Reljić, Svetlana Popadić, Janko Janković
HINTERGRUND UND ZIELE: Die meisten früheren Arbeiten zu den klinisch-epidemiologischen Merkmalen von bullösen Autoimmunerkrankungen (AIBD) konzentrierten sich vor allem auf eine einzige Krankheitsentität oder nur eine Krankheitsgruppe; nur in wenigen Studien wurde die Inzidenz verschiedener AIBD untersucht. Bei der vorliegenden Studie war es unser Ziel, das gesamte Spektrum der AIBD zu betrachten, die Inzidenz der häufigsten AIBD zu ermitteln und die zeitlichen Trends ihres Auftretens in Zentralserbien über einen Zeitraum von 20 Jahren zu untersuchen...
October 2016: Journal der Deutschen Dermatologischen Gesellschaft, Journal of the German Society of Dermatology: JDDG
Benoît Roubinet, Mariano L Bossi, Philipp Alt, Marcel Leutenegger, Heydar Shojaei, Sebastian Schnorrenberg, Shamil Nizamov, Masahiro Irie, Vladimir N Belov, Stefan W Hell
Reversibly photoswitchable 1,2-bis(2-ethyl-6-phenyl-1-benzothiophene-1,1-dioxide-3-yl)perfluorocyclopentenes (EBT) having fluorescent "closed" forms were decorated with four or eight carboxylic groups and attached to antibodies. Low aggregation, efficient photoswitching in aqueous buffers, specific staining of cellular structures, and good photophysical properties were demonstrated. Alternating light pulses of UV and blue light induce numerous reversible photochemical transformations between two stables states with distinct structures...
October 21, 2016: Angewandte Chemie
Nadia G Kandile, Mansoura I Mohamed, Hind M Ismaeel
New compounds based on oxindole moiety were synthesized via the reaction of 5-substitued isatins 1a-e with different nucleophiles such as benzidine, 3,3'-dimethoxybenzidine 2a,b and 2,6-diaminopyridine 3 to afford three different classes of bis-Schiff bases 4a-e, 5a-e and 6a-e, respectively. The structures of the new compounds were elucidated on the basis of their FTIR, (1)H NMR, (13)C NMR, GC/MS spectral data and elemental analysis. The in vitro antimicrobial activity of the new compounds was evaluated using a broth dilution technique in terms of minimal inhibitory concentration (MIC) against four bacterial and two fungal pathogens and anticancer activities against HELA cervix...
October 21, 2016: Journal of Enzyme Inhibition and Medicinal Chemistry
Eduardo Rodrigo, Inés Alonso, José Luis García Ruano, M Belén Cid
The easily available vinyl sulfone 3 showed a great potential for new applications in several fields, such as organic synthesis and bioconjugates formation. This was demonstrated by performing a systematic assessment of its reactivity in Michael, radical and cycloaddition reactions. Heteroaryl vinyl sulfone 3 presented an excellent output in terms of reactivity and selectivity, proving superior to phenyl vinyl sulfone 1 and with clear advantages over bis-sulfone 2. This behavior might be due to the conformational and orbital control exerted by the tetrazole unit according to DFT calculations...
October 21, 2016: Journal of Organic Chemistry
Eui Jin Lee, Jae Pil Han, Seung Eun Jung, Min Hee Choi, Doo Kyung Moon
In this study, we fabricated conventional structured organic solar cells (OSCs) by introducing a hole extraction layer (HEL) that consisted of poly(3,4-ethylenedioxythiophene):polystyrenesulfonate (PEDOT:PSS) and conjugated polymer electrolyte (CPE) poly[9,9-bis(4'-sulfonatobutyl)fluorene-alt-thiophene] (PFT-D). PFT-D has a -SO3(-) functional group that acts as a conjugate base against the -SO3H of PSS. In addition, the molecular dipole of PFT-D can screen the coulombic attraction between PEDOT chains and PSS chains...
October 21, 2016: ACS Applied Materials & Interfaces
Abby Casey, Yang Han, Eliot Gann, Joshua P Green, Christopher R McNeill, Thomas D Anthopoulos, Martin Heeney
The synthesis of the novel donor-acceptor monomer 4,7-bis[(E)-2-(5-bromo-3-dodecylylthiophen-2-yl)ethenyl]-5,6-difluoro-2,1,3-benzothiadiazole (FBT-V2T2) is reported. Polymerization with 4,4'-ditetradecyl-5,5'-bistrimethylstannyl-2,2'-bithiophene afforded a highly crystalline polymer that aggregated strongly in solution. Polymer films were well ordered resulting in high performance field-effect transistors with low onset voltages, negligible hysteresis, high channel current on/off ratios and peak hole mobilities of up to 0...
October 21, 2016: ACS Applied Materials & Interfaces
Mingzhu Xia, Yuting Chu, Tianyi Wang, Wu Lei, Fengyun Wang
As a kind of promising energetic materials, the double furazan-based and furoxan-based compounds have raised concerns of many researchers in recent years. In this paper, the optimized structures, energetic properties, heat of formation (HOF), detonation properties, and bond dissociation energies of these compounds were calculated by density functional theory (DFT) method. The results show that the N-O bond, which is close to the adjacent coordinated oxygen atom in furoxan ring, is more fragile than the other N-O bonds in the ring...
November 2016: Journal of Molecular Modeling
Judy P Hines, Aaron T Smith, Jose P Jacob, Gudrun S Lukat-Rodgers, Ian Barr, Kenton R Rodgers, Feng Guo, Judith N Burstyn
The RNA-binding heme protein DiGeorge critical region 8 (DGCR8) and its ribonuclease partner Drosha cleave primary transcripts of microRNA (pri-miRNA) as part of the canonical microRNA (miRNA) processing pathway. Previous studies show that bis-cysteine thiolate-coordinated Fe(III) DGCR8 supports pri-miRNA processing activity, while Fe(II) DGCR8 does not. In this study, we further characterized Fe(II) DGCR8 and tested whether CO or NO might bind and restore pri-miRNA processing activity to the reduced protein...
October 20, 2016: Journal of Biological Inorganic Chemistry: JBIC
Matthew T Keough, Jeffrey D Wardell, Christian S Hendershot, R Michael Bagby, Lena C Quilty
Gray's Reinforcement Sensitivity Theory (RST) predicts that the Behavioral Inhibition System (BIS) may relate to coping-motivated problem gambling, given its central role in anxiety. Studies examining the BIS-problem gambling association, however, are mixed. The revised RST posits that the Behavioral Approach System (BAS) may moderate the effect of the BIS on coping-motivated problem gambling. A concurrently strong BAS may highlight the negatively reinforcing effects of gambling, which may strengthen coping motives and increase gambling-related harms...
October 20, 2016: Journal of Gambling Studies
Zhuang Li, Ling Liu, Hong-Mei Sun, Qi Shen, Yong Zhang
A novel family of ionic iron(ii) complexes of the general formula [HL][Fe(PR'3)X3] (HL = 1,3-bis(2,6-diisopropylphenyl)imidazolium cation, HIPr, R' = Ph, X = Cl, 2; HL = HIPr, R' = Cy, X = Cl, 3; HL = HIPr, R' = Ph, X = Br, 4; HL = HIPr, R' = Cy, X = Br, 5; HL = 1,3-bis(2,4,6-trimethylphenyl)imidazolium cation, HIMes, R' = Cy, X = Br, 6) was easily prepared via a stepwise approach in 88%-92% yields. In addition, an ionic iron(ii) complex, [HIPr][Fe(C4H8O)Cl3] (1), has been isolated from the reaction of FeCl2(THF)1...
October 21, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
Jean-Marie E P Cols, Cameron E Taylor, Kevin J Gagnon, Simon J Teat, Ruaraidh D McIntosh
The synthesis and full characterisation of four discrete tetrametallic titanium complexes is reported. These well-defined compounds are isostructural in the solid state and share the same general formula: Ti4(μ-O)2L4 (L = 1, 2, 3 or 4). Using a combination of NMR techniques the complexes are found to be stable in solution, even at elevated temperatures. Further studies show that the carboxylate moieties of the supporting amine bis(phenolate) ligands can be displaced by a more strongly coordinating solvent...
October 21, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
Marzieh Zargaran, Ebrahim Saadat, Rassoul Dinarvand, Mohammad Sharifzadeh, Farid Dorkoosh
Purpose: One of the most nutritional disorders around the world is iron deficiency. A novel iron compound was synthesized by chelating ferrous ions with alanine for prevention and treatment of iron deficiency anemia. Methods: The newly synthesized compound was characterized both qualitatively and quantitatively by Fourier Transform Infrared (FT-IR) spectroscopy. The bioavailability of newly synthesized iron micronutrient was evaluated in four groups of Wistar rats. The group I was a negative control group and the other three groups received three different iron formulations...
September 2016: Advanced Pharmaceutical Bulletin
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