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Deborah L Jones, Adam W Carrico, Suat Babayigit, Violeta J Rodriguez, Carlos Aguila, Mahendra Kumar
Methamphetamine and HIV impair thyroid function, but few studies have investigated their combined effects on thyroid dysregulation. This study examined the associations of methamphetamine use alone and in combination with HIV on thyroid function among men in South Florida. Measures of thyroid function in methamphetamine-using, HIV-infected (METH+HIV+; n = 127) and HIV-negative (METH+HIV-; n = 46) men who have sex with men (MSM) were compared to non-methamphetamine-using, HIV-negative men (METH-HIV-; n = 136)...
May 17, 2018: Journal of Behavioral Medicine
Angelica Ospina-Escobar, Carlos Magis-Rodríguez, Fatima Juárez, Dan Werb, Sergio Bautista Arredondo, Rubén Carreón, María Elena Ramos, Steffanie Strathdee
BACKGROUND: A large body of research has investigated the rise of injection drug use and HIV transmission in Tijuana and Ciudad Juarez (CJ). However, little is known about the dynamics of injecting in Hermosillo. This study compares drug-related behaviors and risk environment for HIV of people who inject drugs (PWID) across Tijuana, CJ, and Hermosillo to identify factors that could explain differences in HIV prevalence. METHODS: Data from Tijuana belong to a prospective study (El Cuete IV)...
May 18, 2018: Harm Reduction Journal
Azis Adharis, Dejan M Petrović, Ibrahim Özdamar, Albert J J Woortman, Katja Loos
The synthesis of vinyl-based oligocelluloses using cellodextrin phosphorylase as biocatalyst in buffer solution is presented. Various types of vinyl glucosides bearing (meth)acrylates/(meth)acrylamides functionalities served as the glucosyl acceptor in the enzyme catalyzed reverse phosphorolysis reaction and α-glucose 1-phosphate as the glucosyl donor. The enzymatic reaction was followed by thin layer chromatography and the isolated product yields were about 65%. The synthesized vinyl-based oligocelluloses had an average number of repeating glucosyl units and a number average molecular weight up to 8...
August 1, 2018: Carbohydrate Polymers
Jared T Stritzinger, Janelle E Droessler, Brian L Scott, George S Goff
The structural determination of the ionic liquid, caesium bis-[(tri-fluoro-meth-yl)sulfon-yl]imide or poly[[μ4 -bis-[(tri-fluoro-meth-yl)sulfon-yl]imido]caesium(I)], Cs[N(SO2 CF3 )2 ] or Cs[Tf2 N], reveals a second polymorph that also crystallizes in a layer structure possessing monoclinic P 21 / c symmetry at 120 K instead of C 2/ c for the known polymorph [Xue et al. (2002 ▸). Solid State Sci. 4 , 1535-1545]. The caesium ions in the cationic layers are coordinated by the sulfonyl groups of the bis-triflimide mol-ecules from anion layers while the tri-fluoro-methyl groups are oriented in the opposite direction, forming a non-polar surface separating the layers...
April 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
Simone S Grecco, Gerold Jerz, Joao Henrique G Lago, Peter G Jones
In the title compound, C21 H24 O4 (systematic name: 4,5'-diallyl-2,2',3'-tri-meth-oxy-diphenyl ether), the aromatic rings lie almost perpendicular to each other [dihedral angle = 85.96 (2)°]. The allyl side chains show similar configurations, with Car -C-C=C (ar = aromatic) torsion angles of -123.62 (12) and -115.54 (12)°. A possible weak intra-molecular C-H⋯O inter-action is observed. In the crystal, mol-ecules are connected by two C-H⋯O hydrogen bonds, forming undulating layers lying parallel to the bc plane...
April 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
Maria Makarova, Alexey A Tsygankov, Olga Chusova, Ivan V Linko, Pavel V Dorovatovskii, Yan V Zubavichus
The title compound, [RuCl2 (C10 H14 )(C26 H35 O2 P)] ( I ), crystallizes in the monoclinic space group P 21 / c with two crystallographically independent mol-ecules ( A and B ) in the asymmetric unit. The geometries of both mol-ecules are very similar and distinguished only by the twist angles of the two benzene rings in the phosphine substituents [89.54 (14) and 78.36 (14)° for mol-ecules A and B , respectively]. The Ru atoms have classical pseudo-tetra-hedral piano-stool coordination environments. The conformation of each mol-ecule is stabilized by intra-molecular C-H⋯O and C-H⋯Cl hydrogen bonds and C-H⋯π inter-actions...
April 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
Nadir Ghichi, Chawki Bensouici, Ali Benboudiaf, Yacine DJebli, Hocine Merazig
The title Schiff base compounds, C20 H16 ClNO2 (I) and C24 H22 N2 O2 (II), were synthesized via the condensation reaction of 2-amino-4-chloro-phenol for (I), and 2-(2,3-di-hydro-1 H -indol-3-yl)ethan-1-amine for (II), with 4-benz-yloxy-2-hy-droxy-benzaldehyde. In both compounds, the configuration about the C=N imine bond is E . Neither mol-ecule is planar. In (I), the central benzene ring makes dihedral angles of 49.91 (12) and 53.52 (11)° with the outer phenyl and chloro-phenyl rings, respectively. In (II), the central benzene ring makes dihedral angles of 89...
April 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
Patrick O'Brien, Matthias Zeller, Wei-Tsung Lee
The title compound, [NiBr(C25 H29 N2 O)], contains an NiII atom with a slightly distorted square-planar coordination environment defined by one O and two N atoms from the 2-{[(8-aminona-phthalen-1-yl)imino]-meth-yl}-4,6-di- tert -butyl-phenolate ligand and a bromide anion. The Ni-O and Ni-N bond lengths are slightly longer than those observed in the phenyl backbone counterpart, which can be attributed to the larger steric hindrance of the naphthyl group in the structure of the title compound. The mol-ecule as a whole is substanti-ally distorted, with both the planar naphthalene-1,8-di-amine and imino-meth-yl-phenolate substitutents rotated against the NiN2 OBr plane by 38...
April 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
D Marian Szebenyi, Irina Kriksunov, Kevin J Howe, John S Ramsey, David G Hall, Michelle L Heck, Stuart B Krasnoff
The title compound C22 H39 NO9 ·CH3 OH [systematic name: ( S )- N -(( S )-{(2 S ,4 R ,6 R )-6-[( S )-2,3-di-hydroxy-prop-yl]-4-hy-droxy-5,5-di-methyl-tetra-hydro-2 H -pyran-2-yl}(hy-droxy)meth-yl)-2-hy-droxy-2-[(2 R ,5 R ,6 R )-2-meth-oxy-5,6-dimeth-yl-4-methyl-ene-tetra-hydro-2 H -pyran-2-yl]acetamide methanol monosolvate], was isolated from the Asian citrus psyllid, Diaphorina citri Kuwayama, and crystallizes in the space group P 21 . ' Candidatus Profftella armatura' a bacterial endosymbiont of D. citri , biosynthesizes diaphorin, which is a hybrid polyketide-nonribosomal peptide comprising two highly substituted tetra-hydro-pyran rings joined by an N -acyl aminal bridge [Nakabachi et al...
April 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
Yassine Laamari, Aziz Auhmani, My Youssef Ait Itto, Jean-Claude Daran, Abdelwahed Auhmani, Mostafa Kouili
The title compound, C18 H22 O4 S, an hemisynthetic product, was obtained by the tosyl-ation reaction of the naturally occurring meroterpene p -meth-oxy-thymol. The mol-ecule comprises a tetra-substitued phenyl ring linked to a toluene-sulfonate through one of its O atoms. In the crystal, C-H⋯O and C-H⋯π inter-actions link the mol-ecules, forming a three-dimensional network.
March 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
Julio Zukerman-Schpector, Monica Soto-Monsalve, Regina H De Almeida Santos, Angelo H L Machado, Carlos Roque D Correia, Mukesh M Jotani, Edward R T Tiekink
In the title compound, C28 H34 N2 O5 , the adjacent ester and nitro-benzene substituents are connected via an intra-molecular methyl-ene-C-H⋯π(nitrobenzene) inter-action and the mol-ecule approximates to a U-shape. The di-hydro-pyrrole ring (r.m.s. deviation = 0.003 Å) is almost co-planar with the carboxyl-ate residue [Cm -N-C1-Oc (m = methine, c = carbox-yl) torsion angle = 1.8 (4)°] but is orthogonal to the 4-meth-oxy-benzene ring [dihedral angle = 84.34 (17)°]. In the crystal, methyl-ene- C - H ⋯ O (carbon-yl) inter-actions lead to linear supra-molecular chains along the b -axis direction, which pack without directional inter-actions between them...
March 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
Md Serajul Haque Faizi, Necmi Dege, Turganbay S Iskenderov
In the title Schiff base compound, C19 H17 N3 O, the configuration about the C=N bond is E . The mol-ecule is non-planar, with the phenolic and pyridine rings being inclined to the central benzene ring by 56.59 (4) and 15.13 (14)°, respectively. In the crystal, mol-ecules are linked by pairs of O-H⋯N hydrogen bonds, forming inversion dimers. The dimers are connected to neighbouring dimers by N-H⋯O hydrogen bonds and C-H⋯π inter-actions, forming layers parallel to the bc plane. The layers are linked by offset π-π inter-actions [inter-centroid distance = 3...
March 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
Logesh Mathivathanan, Guang Yang, Fenfei Leng, Raphael G Raptis
Crystal structure determination of doxorubicin nitrate, (DoxH)NO3 , systematic name (7 S ,9 S )-7-{[(2 R ,4 S ,5 S ,6 S )-4-azaniumyl-5-hy-droxy-6-methyl-oxan-2-yl]-oxy}-6,9,11-trihy-droxy-9-(2-hy-droxy-acet-yl)-4-meth-oxy-8,10-di-hydro-7 H -tetra-cen-5,12-dione nitrate, shows two formula units present in the asymmetric unit. In the crystal lattice, hydrogen-bonded pairs of (DoxH+ ) cations and segregation of the aglycone and sugar moieties are observed. Inspection of mol-ecular overlays reveals that the conformation of (DoxH)NO3 resembles that of DNA-inter-calated, but not of protein-docked (DoxH)+ ...
March 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
Hemant P Yennawar, Michaela J Buchwalter, Baylee K Colburn, Lee J Silverberg
The syntheses and crystal structures of 2,3-bis-[3-(tri-fluoro-meth-yl)phen-yl]-2,3-di-hydro-4 H -1,3-benzo-thia-zin-4-one (di- m -CF3 ; C22 H13 F6 NOS) ( 1 ) and 2,3-bis-(4-methyl-phen-yl)-2,3-di-hydro-4 H -1,3-benzo-thia-zin-4-one (di- p -CH3 ; C22 H19 NOS) ( 2 ) are reported. Each structure is racemic: the asymmetric unit of 2 consists of two mol-ecules. In both 1 and 2 , the six-membered 1,3-thia-zine ring is close to an envelope conformation with the chiral C atom forming the flap. In 1 , the 2-aryl group is pseudo-equatorial, while in 2 it is pseudo-axial...
March 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
Wayland E Noland, Ryan J Herzig, Abigail J Engwall, Renee C Jensen, Kenneth J Tritch
The title crystals, C9 H5 Br2 NO2 , are the first reported 2,6-dihalophenyl cyanide-isocyanide pair that have neither three- nor two-dimensional isomorphism. Both crystals contain contacts between the carbonyl O atom and a Br atom. In the crystal of the cyanide, R 2 2 (10) inversion dimers form based on C≡N⋯Br contacts, a common packing feature in this series of crystals. In the isocyanide, the corresponding N≡C⋯Br contacts are not observed. Instead, the iso-cyano C atom forms contacts with the meth-oxy C atom...
March 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
Mir Abolfazl Naziri, Ertan Şahin, Tuncer Hökelek
The asymmetric unit of the title aroyl hydrazone Schiff base salt, C13 H12 N3 O2 + ·N O3 - , consists of one mol-ecular cation in the keto tautomeric form, adopting an E configuration with respect to the azomethine bond, and one nitrate anion. The two units are linked via an N-H⋯O hydrogen bond. The mol-ecule overall is non-planar, with the pyridinium and benzene rings being inclined to each other by 4.21 (4)°. In the crystal, cations and anions are linked via inter-molecular O-H⋯O and bifurcated N-H⋯O hydrogen bonds, forming a two-dimensional network parallel to (101)...
March 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
Arzu Özek Yıldırım, Murat Gülsu, Çiğdem Albayrak Kaştaş
The title compound, C16 H16 BrNO3 , which shows enol-imine tautomerism, crystallizes in the monoclinic P 21 / c space group. All non-H atoms of the mol-ecule are nearly coplanar, with a maximum deviation of 0.274 (3) Å. In the crystal, mol-ecules are held together by weak C-H⋯O, π-π and C-H⋯π inter-actions. The E / Z isomerism and enol/keto tautomerism energy barriers of the compound have been calculated by relaxed potential energy surface scan calculations with DFT methods. To observe the changes in the aromatic ring, HOMA aromaticity indexes were calculated during the scan process...
March 1, 2018: 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 the two title organotin di-thio-carbamate compounds, [Sn(C4 H9 )2 (C7 H14 NO2 S2 )2 ], (I), and [Sn(C6 H5 )3 (C5 H10 NOS2 )], (II), are described. Both structures feature asymmetrically bound di-thio-carbamate ligands leading to a skew-trapezoidal bipyramidal geometry for the metal atom in (I) and a distorted tetra-hedral geometry in (II). The complete mol-ecule of (I) is generated by a crystallographic twofold axis (Sn site symmetry 2). In the crystal of (I), mol-ecules self-assemble into a supra-molecular array parallel to (10-1) via methyl-ene-C-H⋯O(meth-oxy) inter-actions...
March 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
Aleksej Jochim, Inke Jess, Christian Näther
The crystal structure of the title salt, (C6 H8 NO)8 [Fe(NCS)4 (C6 H7 NO)2 ][Fe(NCS)5 (C6 H7 NO)]2 [Fe(NCS)6 ], comprises three negatively charged octa-hedral FeIII complexes with different coordination environments in which the FeIII atoms are coordinated by a different number of thio-cyanate anions and 4-meth-oxy-pyridine ligands. Charge balance is achieved by 4-meth-oxy-pyridinium cations. The asymmetric unit consists of three FeIII cations, one of which is located on a centre of inversion, one on a twofold rotation axis and one in a general position, and ten thio-cyanate anions, two 4-meth-oxy-pyridine ligands and 4-meth-oxy-pyridinium cations (one of which is disordered over two sets of sites)...
March 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
Muhammad Ikram, Sadia Rehman, Afzal Khan, Carola Schulzke
The reaction between 3,3'-[(3-meth-oxy-4-hy-droxy-phen-yl)methanedi-yl]bis-(4-hy-droxy-2 H -chromen-2-one) and tri-ethyl-amine in methanol yielded the title compound tri-ethyl-ammonium 3-[(4-hy-droxy-3-meth-oxy-phen-yl)(4-hy-droxy-2-oxo-2 H -chromen-3-yl)meth-yl]-2-oxo-2 H -chromen-4-olate, C6 H16 N+ ·C26 H17 O8 - or (NHEt3 )+ (C26 H17 O8 )- , which crystallized directly from its methano-lic mother liquor. The non-deprotonated coumarol substituent shares its H atom with the deprotonated coumarolate substituent in a short negative charge-assisted hydrogen bond in which the freely refined H atom is moved from its parent O atom towards the acceptor O atom, elongating the covalent O-H bond to 1...
March 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
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