Read by QxMD icon Read


Fatiha Benmansour, Iuni Trist, Bruno Coutard, Etienne Decroly, Gilles Querat, Andrea Brancale, Karine Barral
With the aim to help drug discovery against dengue virus (DENV), a fragment-based drug design approach was applied to identify ligands targeting a main component of DENV replication complex: the NS5 AdoMet-dependent mRNA methyltransferase (MTase) domain, playing an essential role in the RNA capping process. Herein, we describe the identification of new inhibitors developed using fragment-based, structure-guided linking and optimization techniques. Thermal-shift assay followed by a fragment-based X-ray crystallographic screening lead to the identification of three fragment hits binding DENV MTase...
October 5, 2016: European Journal of Medicinal Chemistry
Luca Falzone, Andrea Marconi, Carla Loreto, Sabrina Franco, Demetrios A Spandidos, Massimo Libra
It is well known that the occupational exposure to contaminants and carcinogens leads to the development of cancer in exposed workers. In the 18th century, Percivall Pott was the first to hypothesize that chronic exposure to dust in the London chimney sweeps was associated with an increased risk of developing cancer. Subsequently a growing body of evidence indicated that other physical factors were also responsible for oncogenic mutations. Over the past decades, many carcinogens have been found in the occupational environment and their presence is often associated with an increased incidence of cancer...
October 3, 2016: Molecular Medicine Reports
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
Yang Liu, Hai-Hui Liu
In the polymeric title compound, [CdCl2(C6H6N4)] n , the central Cd(II) atom is coordinated by four chloride ligands and two N atoms from a chelating 2,2'-bi-1H-imidazole mol-ecule, leading to a distorted octa-hedral Cl4N2 coordination set. As a result of the μ2-bridging character of the Cl ligands, chains parallel to the c axis are formed, with the chelating 2,2'-bi-1H-imidazole ligands decorated on both sides of the chain. The luminescence properties of the complex dispersed in di-methyl-formamide shows that the emission intensities are significantly quenched by nitro-benzene...
October 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Özden Özel Güven, Gökhan Türk, Philip D F Adler, Simon J Coles, Tuncer Hökelek
In the title compound, C20H16Cl2N2O2, the indazole ring system is approximately planar [maximum deviation = 0.033 (1) Å], its mean plane is oriented at dihedral angles of 25.04 (4) and 5.10 (4)° to the furan and benzene rings, respectively. In the crystal, pairs of C-Hind⋯Obo (ind = indazole and bo = benz-yloxy) hydrogen bonds link the mol-ecules into centrosymmetric dimers with graph-set motif R2(2)(12). Weak C-H⋯π inter-actions is also observed. Aromatic π-π stacking between the benzene and the pyrazole rings from neighbouring mol-ecules [centroid-centroid distance = 3...
October 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Nurcan Akduran, Hacali Necefoğlu, Ömer Aydoğdu, Tuncer Hökelek
In the title complex, [Zn(C8H4NO2)2(C10H14N2O)2(H2O)2], the Zn(II) cation, located on an inversion centre, is coordinated by two water mol-ecules, two 4-cyano-benzoate (CB) anions and two di-ethyl-nicotinamide (DENA) ligands in a distorted N2O4 octa-hedral geometry. In the mol-ecule, the dihedral angle between the planar carboxyl-ate group and the adjacent benzene ring is 9.50 (14)°, while the benzene and pyridine rings are oriented at a dihedral angle of 56.99 (5)°. The water mol-ecules exhibit both an intra-molecular hydrogen bond [to the non-coordinating carboxyl-ate O atom, enclosing an S(6) hydrogen-bonding motif, where O⋯O = 2...
October 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Md Serajul Haque Faizi, Akram Ali, Vadim A Potaskalov
The whole mol-ecule of the title compound, C32H34N2O2, is generated by inversion symmetry; the central benzene ring being situated about the crystallographic inversion center. The aromatic ring of the julolidine moiety is inclined to the central benzene ring by 33.70 (12)°. There are two intra-molecular O-H⋯N hydrogen bonds in the mol-ecule, generating S(6) ring motifs. The conformation about the C=N bonds is E. The fused non-aromatic rings of the julolidine moiety adopt half-chair conformations. In the crystal, adjacent mol-ecules are linked by pairs of C-H⋯π inter-actions, forming a ladder-like structure propagating along the a-axis direction...
October 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Mengjie Fan, Nannan Zhou, Peiwen Li, Liuliu Chen, Yingwen Chen, Shubao Shen, Shemin Zhu
Tetrabromobisphenol A(TBBPA), a pollutant in industrial wastewaters, needs to be removed due to its high toxicity and persistence. The main biodegradation pathway for TBBPA has been studied, and bisphenol A(BPA), which is toxic to the environment, is recognized as the general terminal product. In this study, we explored a new approach for the anaerobic biodegradation of TBBPA in a bioelectrochemical system (BES) through co-metabolic degradation of TBBPA with glucose. The half-life of TBBPA was significantly reduced to 13...
September 29, 2016: Journal of Hazardous Materials
Kristin M Blum, Patrik L Andersson, Gunno Renman, Lutz Ahrens, Meritxell Gros, Karin Wiberg, Peter Haglund
On-site sewage treatment facilities (OSSFs), which are used to reduce nutrient emissions in rural areas, were screened for anthropogenic compounds with two-dimensional gas chromatography-mass spectrometry (GC×GC-MS). The detected compounds were prioritized based on their persistence, bioaccumulation, ecotoxicity, removal efficiency, and concentrations. This comprehensive prioritization strategy, which was used for the first time on OSSF samples, ranked galaxolide, α-tocopheryl acetate, octocrylene, 2,4,7,9-tetramethyl-5-decyn-4,7-diol, several chlorinated organophosphorus flame retardants and linear alkyl benzenes as the most relevant compounds being emitted from OSSFs...
October 12, 2016: Science of the Total Environment
Yumi Katayama, Mitsuru Aoyagi, Takuya Matsumoto, Hiroyuki Harada, Alina M Simion, Naoyoshi Egashira, Yoshiharu Mitoma, Cristian Simion
Both hexachlorobenzene and hexabromobenzene were successfully hydrodehalogenated to the monohalogenated derivative and ultimately to benzene (which was subsequently reduced to cyclohexane) using a mixture of metallic Ca, ethanol, and Rh/C, by simple stirring in diethyl ether, at room or mild temperature (60 °C). Various experiments were performed in order to assess the role of the solvent and Rh/C catalyst, as well as for elucidating the reaction pathway.
October 14, 2016: Environmental Science and Pollution Research International
Yunhao Lu, Yanzuo Dong, Xueli Li, Qiang He
The nitration and nitrosation reactions of catechol, resorcinol, and hydroquinone (0.05 mmol/L) with sodium nitrite (0.05 mmol/L) at pH 3 and 37 °C were studied by using liquid chromatography and mass spectrometry (LC-MS) and atom charge analysis, which was aimed to provide chemical insight into the nitrite-scavenging behavior of polyphenols. The 3 benzenediols showed different mechanisms to scavenge nitrite due to their differences in hydroxyl position. Catechol was nitrated with 1 NO2 group at the hydroxyl oxygen, and resorcinol was nitrosated with 2 NO groups at the C2 and C4 (or C6 ) positions of the benzene ring...
October 14, 2016: Journal of Food Science
Julie M Muller, Shane S Galley, Thomas E Albrecht-Schmitt, Kenneth L Nash
The complexation of selected trivalent lanthanide ions with derivatives of the tetranitrogen donor ligands 6,6'-bis-1R,1H-1,2,3-triazol-4-yl-2,2'-bipyridines (BTzBPs, R = alkyl or aryl) was investigated in solid state and in solution. An anhydrous solid [Ce(Bn-BTzBP)(NO3)3] (Bn = benzene) complex was synthesized and characterized by single-crystal X-ray diffraction. Eu(III) complexes with the 2-ethyl(hexyl) derivative EH-BTzBP in methanol were studied by time-resolved fluorescence spectroscopy. Earlier studies have identified the EH-BTzBP as a potentially useful solvent extraction reagent for the separation of americium from lanthanide metal ions, a challenging component of advanced nuclear fuel cycles for actinide transmutation...
October 14, 2016: Inorganic Chemistry
Yanchuan Zhao, Silvia V Rocha, Timothy M Swager
Iptycenes are intriguing compounds receiving considerable attention as a result of their rigid noncompliant three-dimensional architecture. The preparation of larger iptycenes is often problematic, as a result of their limited solubility and synthetic procedures involving multiple Diels-Alder reactions under harsh extended reaction conditions. We report a mechanochemical synthesis of structurally well-defined iptycenes through an iterative reaction sequence, wherein Diels-Alder reactions and a subsequent aromatization afford higher order iptycenes...
October 14, 2016: Journal of the American Chemical Society
Sam Yruegas, Caleb D Martin
The propensity of boroles to undergo ring expansion reactions is exploited as a route to generate 1,2-thiaborines, molecules that can be viewed as boron-doped variants of thiophene, as well as hybrid inorganic/organic analogues of benzene. Computational studies as well as structural data indicate that the species reported herein have a high degree of aromatic character.
October 13, 2016: Chemistry: a European Journal
M-W Jin, S-M Xu, Q An, P Wang
OBJECTIVE: Leukemia is the most common cancer of childhood, with AML, CML, ALL and CLL being the most common. Environmental and genetic factors have been studied extensively in children with childhood leukemia. Other factors, such as the prenatal parental use of controlled substances, have not been investigated to the same degree. We review what is currently known about environmental and parental factors and the occurrence of leukemia in children. MATERIALS AND METHODS: Electronic databases were searched for studies correlated pediatric leukemia with (1) ionizing radiation; (2) benzene; (3) parental drug use (4) parental alcohol use; (5) genetic factors...
September 2016: European Review for Medical and Pharmacological Sciences
Kandasamy Eniyan, Anuradha Kumar, Geetha Vani Rayasam, Andrej Perdih, Urmi Bajpai
The cell wall of Mycobacterium tuberculosis (Mtb) consists of peptidoglycan, arabinogalactan and mycolic acids. The cytoplasmic steps in the peptidoglycan biosynthetic pathway, catalyzed by the Mur (A-F) enzymes, involve the synthesis of UDP-n-acetylmuramyl pentapeptide, a key precursor molecule required for the formation of the peptidoglycan monomeric building blocks. Mur enzymes are indispensable for cell integrity and their lack of counterparts in eukaryotes suggests them to be promising Mtb drug targets...
October 13, 2016: Scientific Reports
Atul Goel, Vijay Kumar, Yasmin Hemberger, Fateh V Singh, Pankaj Nag, Michael Knauer, Ruchir Kant, Resmi Raghunandan, Prakas Ranjan Maulik, Gerhard Bringmann
Sterically hindered naphthalene-substituted biphenyls and terphenyls were synthesized in good yields, by Michael addition of a conjugate base of core-substituted phenylacetones to substituted 2-oxo-2H-pyran-3-carbonitriles at room temperature under alkaline conditions. These diversely functionalized benzenes (1,2-teraryls or 1,3-teraryls), bearing naphthyl and substituted aryl rings, show the phenomenon of atropisomerism, with one or two stereogenic biaryl axes. The resolution of the respective four atropisomers of the naphthalene-substituted biphenyls and terphenyls bearing 1,2-type or 1,3-type chiral biaryl axes was achieved by HPLC on a chiral phase...
October 12, 2016: Journal of Organic Chemistry
Mary Ann B Meador, Marika Agnello, Linda McCorkle, Stephanie L Vivod, Nathan Wilmoth
Polyimide aerogels made using anhydride-capped oligomers from 4,4'-oxydianiline (ODA) and 3,3',4,4'-biphenyltetracarboxylic dianhydride (BPDA) cross-linked with 1,3,5-tri(aminophenoxy)benzene (TAB) have been reported with very good mechanical properties but poor resistance to moisture. Replacing 50 mol % of the ODA with poly(propylene glycol)bis(2-aminopropyl ether) (PPG) with an average molecular weight of 230 g/mol in the oligomer backbone gives aerogels with water contact angles of 80°. The aerogels also absorb very little moisture on soaking in water...
October 12, 2016: ACS Applied Materials & Interfaces
Giuseppe Meola, Henrik Braband, Paul Schmutz, Michael Benz, Bernhard Spingler, Roger Alberto
The synthesis of mono- and difunctionalized [Re(η(6)-C6H5R)(η(6)-C6H6-nRn)](+) (n = 0, 1; R = COOH, Br) complexes starting from [Re(η(6)-benzene)2](+) is described. The lithiation of [Re(η(6)-benzene)2](+) with n-BuLi leads preferentially to the neutral, alkylated product [Re(η(6)-C6H6)(η(5)-C6H6-Bu)] but not to the expected deprotonation of the arene ring. Deprotonation/lithiation with LDA gave the mono- and the dilithiated products in situ. Their reactions with 1,1,2,2-tetra-bromoethane (TBE) or with CO2, respectively, gave [Re(η(6)-C6H5Br)(η(6)-C6H6)](+), [Re(η(6)-C6H5Br)2](+), or [Re(η(6)-C6H5COOH)(η(6)-C6H6)](+), [Re(η(6)-C6H5COOH)2](+)...
October 12, 2016: Inorganic Chemistry
Xin Wang, Alexandros Lamprou, Frantisek Svec, Yu Bai, Huwei Liu
A new approach to the preparation of enantioselective porous polymer monolithic columns with incorporated chiral metal-organic framework for nano-liquid chromatography has been developed. While no enantioseparation was achieved with monolithic poly(4-vinylpyridine-co-ethylene dimethacrylate) column, excellent separations of both enantiomers of (±)-methyl phenyl sulfoxide were achieved with its counterpart prepared after admixing the metal-organic framework [Zn2 (benzene dicarboxylate)(l-lactic acid)(dmf)](DMF), which is synthesized from zinc nitrate, l-lactic acid, and benzene dicarboxylic acid in the polymerization mixture...
October 12, 2016: Journal of Separation Science
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"