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Qingqing Gao, Debao Zhang, Zhengqin Ye, Xiaoping Zhu, Weixia Yang, Lanmei Dong, Song Gao, Xiufan Liu
Urinary tract infections (UTIs) are among the most common human diseases worldwide. This study aimed to collect uropathogenic Escherichia coli (UPEC) isolates from Jiangsu Province and obtain insights into the molecular epidemiology of UPEC in this region. The O serotypes, phylogenetic groups, and virulence factors of 183 UPEC isolates were determined. In this study, we isolated 51 UPEC isolates with common O serotypes including O1, O2, O4, O6, O7, O16, O18 and O75, as well as 35 of those with uncommonly encountered O serotypes including O8, O12, O15, O26, and O74...
January 16, 2017: Microbial Pathogenesis
Daniel F Fleischmann, Marcus Unterrainer, Peter Bartenstein, Claus Belka, Nathalie L Albert, Maximilian Niyazi
Most high-grade gliomas (HGG) recur after initial multimodal therapy and re-irradiation (Re-RT) has been shown to be a valuable re-treatment option in selected patients. We evaluated the prognostic value of dynamic time-to-peak analysis and early static summation images in O-(2-(18)F-fluoroethyl)-l-tyrosine ((18)F-FET) PET for patients treated with Re-RT ± concomitant bevacizumab. We retrospectively analyzed 72 patients suffering from recurrent HGG with (18)F-FET PET prior to Re-RT. PET analysis revealed the maximal tumor-to-background-ratio (TBRmax), the biological tumor volume, the number of PET-foci and pattern of time-activity-curves (TACs; increasing vs...
January 19, 2017: Journal of Neuro-oncology
Rohan Phatak, Santosh K Gupta, Priya Maheshwari, Amitabh Das, Sanjay K Sali
A one-third lanthanum deficiency was created in Ba2LaM(5+)O6 compounds (LaM compounds) to form Ba2La2/3M(5+)O5.5 compounds (La2/3M compounds) for M = Nb, Sb, and Bi. The compounds were prepared by a gel-combustion method using citric acid as a fuel. All the compounds were characterized by powder X-ray diffraction (XRD). The XRD analysis showed that the space group of the La2/3M compounds remains the same for the Bi and Sb samples when compared to the reported LaM compounds, except for the Nb sample. La2/3Nb and La2/3Sb adopt a rhombohedral structure with the space group R3[combining macron], whereas La2/3Bi adopts a monoclinic structure with the space group I2/m...
January 19, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
Xiaoyu Wang, Shuichi Hoshika, Raymond J Peterson, Myong-Jung Kim, Steven A Benner, Jason D Kahn
Synthetic nucleobases presenting non-Watson Crick arrangements of hydrogen bond donor and acceptor groups can form additional nucleotide pairs that stabilize duplex DNA independent of the standard A:T and G:C pairs. The pair between 2-amino-3-nitropyridin-6-one 2'-deoxyriboside (presenting a {donor-donor-acceptor} hydrogen bonding pattern on the Watson-Crick face of the small component, trivially designated Z) and imidazo[1,2-a]-1,3,5-triazin-4(8H)one 2'-deoxyriboside (presenting an {acceptor-acceptor-donor} hydrogen bonding pattern on the large component, trivially designated P) is one of these extra pairs for which a substantial amount of molecular biology has been developed...
January 17, 2017: ACS Synthetic Biology
Dafna Knani, David Alperstein
The organic gelator 1,3(R):2,4(S)-dibenzylidene-D-sorbitol (DBS) self-organizes to form a 3-D network at relatively low concentrations in a variety of nonpolar organic solvents and polymer melt. DBS could be transformed into a hydrogelator by introduction of hydrophilic groups, which facilitate its self-assembly in aqueous medium. In this work, we have investigated the hydrogelators DBS-COOH and DBS-CONHNH2 and the organogelator DBS by molecular modeling. We have used quantum mechanics (QM) to elucidate the preferred geometry of one molecule and a dimer of each of the gelators, and molecular dynamics (MD) to simulate the pure gelators and their mixtures with water...
January 17, 2017: Journal of Physical Chemistry. A
K Boulahya, D Muñoz Gil, M Hassan, S García Martin, U Amador
New oxides of the (NdSr)n+1MO3n+1 (M = Co and Mn or Fe) series are reported. Compounds of composition NdSrCo0.75Fe0.25O4.10, NdSrCo0.75Mn0.25O4.08 and Nd0.5Sr1.5Co0.75Mn0.25O3.86 are the n = 1 members of the Ruddlesden-Popper homologous series (K2NiF4 structural type) as determined by X-ray diffraction and different transmission electron microscopy techniques. Their crystal structure consists of connected (Co-Fe/Mn)O6 octahedra blocks separated by (Nd/Sr)O rock-salt like layers along the c-axis. Interstitial oxygen atoms or anion vacancies are induced depending on composition...
January 9, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
Meng-Yang Ye, Zhi-Hao Zhao, Zhuo-Feng Hu, Le-Quan Liu, Hui-Ming Ji, Zhu-Rui Shen, Tian-Yi Ma
0D/2D heterojunctions, especially quantum dots (QDs)/nanosheets (NSs) have attracted significant attention for use of photoexcited electrons/holes due to their high charge mobility. Herein, unprecedent heterojunctions of vanadate (AgVO3 , BiVO4 , InVO4 and CuV2 O6 ) QDs/graphitic carbon nitride (g-C3 N4 ) NSs exhibiting multiple unique advances beyond traditional 0D/2D composites have been developed. The photoactive contribution, up-conversion absorption, and nitrogen coordinating sites of g-C3 N4 NSs, highly dispersed vanadate nanocrystals, as well as the strong coupling and band alignment between them lead to superior visible-light-driven photoelectrochemical (PEC) and photocatalytic performance, competing with the best reported photocatalysts...
January 4, 2017: Angewandte Chemie
Saeko Hayashi, Yohei Kitamura, Yuichi Hirose, Kazunari Yoshida, Hikaru Sasaki
Although 1p19q codeleted gliomas are the most favorable molecular subgroup of lower-grade gliomas, there are cases with early recurrence or short survival. The objective of this study was to elucidate molecular-genetic and clinicopathological prognostic factors in patients with gliomas showing total 1p19q loss. The study included 57 consecutive patients with codeleted gliomas who were operated at Keio University Hospital between 1990 and 2010. These patients were assessed for chromosomal copy number aberrations, promoter methylation status of the O6-methylguanine-DNA methyltransferase gene (MGMT), and demographic and clinicopathological prognostic factors in diffuse gliomas...
December 26, 2016: Journal of Neuro-oncology
Dmitry Batuk, Maria Batuk, Dmitry S Filimonov, Konstantin V Zakharov, Olga S Volkova, Alexander N Vasiliev, Oleg A Tyablikov, Joke Hadermann, Artem M Abakumov
The Bi3n+1Ti7Fe3n-3O9n+11 materials are built of (001)p plane-parallel perovskite blocks with a thickness of n (Ti,Fe)O6 octahedra, separated by periodic translational interfaces. The interfaces are based on anatase-like chains of edge-sharing (Ti,Fe)O6 octahedra. Together with the octahedra of the perovskite blocks, they create S-shaped tunnels stabilized by lone pair Bi(3+) cations. In this work, the structure of the n = 4-6 Bi3n+1Ti7Fe3n-3O9n+11 homologues is analyzed in detail using advanced transmission electron microscopy, powder X-ray diffraction, and Mössbauer spectroscopy...
December 23, 2016: Inorganic Chemistry
Jürgen Evers, Leonhard Möckl, Gilbert Oehlinger, Ralf Köppe, Hansgeorg Schnöckel, Oleg Barkalov, Sergey Medvedev, Pavel Naumov
SiO2 exhibits a high-pressure-high-temperature polymorphism, leading to an increase in silicon coordination number and density. However, for the related compound SiS2 such pressure-induced behavior has not been observed with tetrahedral coordination yet. All four crystal structures of SiS2 known so far contain silicon with tetrahedral coordination. In the orthorhombic, ambient-pressure phase these tetrahedra share edges and achieve only low space filling and density. Up to 4 GPa and 1473 K, three phases can be quenched as metastable phases from high-pressure high-temperature to ambient conditions...
January 3, 2017: Inorganic Chemistry
Phil Liebing, Ahmad Zaeni, Falk Olbrich, Frank T Edelmann
The crystal and mol-ecular strutures of two solvated forms of [K(18c6)]OAc (18c6 = 18-crown-6 = 1,4,7,10,13,16-hexa-oxa-cyclo-octa-decane and OAc = acetate) were determined by single-crystal X-ray diffraction, namely (acetato-κ(2)O,O')(1,4,7,10,13,16-hexa-oxa-cyclo-octa-decane-κ(6)O)potassium dihydrate, [K(CH3COO)(C12H24O6)]·2H2O (1) and (acetato-κ(2)O,O')aqua-(1,4,7,10,13,16-hexa-oxa-cyclo-octa-decane-κ(6)O)potassium acetic acid monosolvate [K(CH3COO)(C12H24O6)(H2O)]·CH3COOH (2). In both compounds, the acetate anion is bonded to the potassium ion in a chelating fashion and the metal atom is consequently slightly displaced from the O6 plane of the crown ether...
December 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Sacha Fop, Janet M S Skakle, Abbie C McLaughlin, Paul A Connor, John T S Irvine, Ronald I Smith, Eve J Wildman
Oxide ion conductors are important materials with a range of technological applications and are currently used as electrolytes for solid oxide fuel cells and solid oxide electrolyzer cells. Here we report the crystal structure and electrical properties of the hexagonal perovskite derivative Ba3MoNbO8.5. Ba3MoNbO8.5 crystallizes in a hybrid of the 9R hexagonal perovskite and palmierite structures. This is a new and so far unique crystal structure that contains a disordered distribution of (Mo/Nb)O6 octahedra and (Mo/Nb)O4 tetrahedra...
December 28, 2016: Journal of the American Chemical Society
Ram Chandra Maji, Partha Pratim Das, Anirban Bhandari, Saikat Mishra, Milan Maji, Kamran B Ghiassi, Marilyn M Olmstead, Apurba K Patra
Fully spin delocalized mixed valence copper-sulfur clusters, 1 and 2, supported by μ4-sulfido and NS(thiol) donor ligands are synthesized and characterized. Wheel shaped 1 consists of Cu2S2 units. The unprecedented nanoball 2 can be described as S@Cu4(tetrahedron)@O6(octahedron)@Cu12S12(cage) consisting of both Cu2S2 and (μ4-S)Cu4 units. The Cu2S2 and (μ4-S)Cu4 units resemble biological CuA and CuZ sites respectively.
December 14, 2016: Chemical Communications: Chem Comm
Lukas Jud, Ronald Micura
We present an innovative O6-tert-butyl/N2-tert-butyloxycarbonyl protection concept for guanosine (G) phosphoramidites. This concept is advantageous for 2'-modified G building blocks because of very efficient synthetic access when compared to existing routes that usually employ O6-(4-nitrophenyl)ethyl/N2-acyl protection or that start from 2-aminoadenosine involving enzymatic transformation into guanosine later on in the synthetic path. The novel phosphoramidites are fully compatible with 2'-O-tBDMS or TOM phosphoramidites in standard RNA solid-phase synthesis and deprotection, and provide excellent quality of tailored RNAs for the growing range of applications in RNA biophysics, biochemistry, and biology...
December 10, 2016: Chemistry: a European Journal
Zachary R Stephen, Rachel N Gebhart, Mike Jeon, Allison A Blair, Richard G Ellenbogen, John R Silber, Miqin Zhang
Nanoparticle-mediated delivery of chemotherapeutics has demonstrated potential in improving anticancer efficacy by increasing serum half-life and providing tissue specificity and controlled drug release to improve biodistribution of hydrophobic chemotherapeutics. However, suboptimal drug loading, particularly for solid core nanoparticles (NPs), remains a challenge that limits their clinical application. In this study we formulated a NP coated with a pH-sensitive polymer of O(6)-methylguanine-DNA methyltransferase (MGMT) inhibitor analog, dialdehyde modified O(6)-benzylguanosine (DABGS) to achieve high drug loading, and polyethylene glycol (PEG) to ameliorate water solubility and maintain NP stability...
January 18, 2017: Bioconjugate Chemistry
Yaxing Wang, Linjuan Zhang, Lanhua Chen, Weifeng Li, Xing Dai, Juan Diwu, Jianqiang Wang, Zhifang Chai, Shuao Wang
Periodate is a strong oxidant and is often reduced to IO3(-) or I2 under hydrothermal conditions. Here, we present a rare case of a mixed-valent iodate(V)/periodate(VII) compound, Th(H2O)(I(V)O3)2[I(VII)0.6V1.76O7(OH)], prepared with a hydrothermal method starting from periodic acid. Crystallographic results demonstrate that heptavalent iodine adopts I(VII)O6 distorted octahedral geometries, which are stabilized on the crystallographically compatible crystal lattice sites of VO6 octahedra through an aliovalent substitutional disorder mechanism...
December 5, 2016: Inorganic Chemistry
Sangen Zhao, Yi Yang, Yaoguo Shen, Bingqing Zhao, Lina Li, Chengmin Ji, Zhenyue Wu, Daqiang Yuan, Zheshuai Lin, Maochun Hong, Junhua Luo
Nitrates have long been ignored for practical uses as nonlinear optical (NLO) materials because they are usually very easy to dissolve in water; despite this, the π-conjugated [NO3 ](-) is among the most desirable NLO-active structural units. The cooperation of three structural chromophores, namely, Bi3 O6 OH short chains with 6s(2) lone pair electrons, distorted TeO6 octahedra with d(10) electrons, and π-conjugated [NO3 ](-) triangles, generates a new nitrate NLO material, Bi3 TeO6 OH(NO3 )2 , which exhibits an enhanced phase-matchable NLO response of three times that of KH2 PO4 (3×KH2 PO4 ), exceeding those of most nitrate NLO materials...
January 9, 2017: Angewandte Chemie
Prasanna Raju Y, Hyndavi N, Harini Chowdary V, Rajesh S Nair, Jamal Basha D, Tejeswari N
Research was aimed on microemulsion-based hydrogel for voriconazole. Oleic acid and isopropyl myristate as lipid phases; tween 20: tween 80 as surfactants and PEG600 as cosurfactant were selected to formulate voriconazole microemulsions. The promising microemulsions in terms of zeta potential, pH, viscosity, and drug release were selected and developed into hydrogels using carbopol 934. Resulting microemulsion-based hydrogel (MBH) of voriconazole were evaluated for in vitro diffusion and ex vivo permeation...
November 25, 2016: Artificial Cells, Nanomedicine, and Biotechnology
Henrik Svengren, Kjell Jansson, Jekabs Grins, Wei Wan, Natallia Torapava, Mats Johnsson
Two electrodes for anodic water oxidation made by direct synthesis of inorganic catalysts onto conductive carbon fibre sheets are evaluated. As catalysts two Co- and Sb-containing phases were tested, that is, Co3 Sb4 O6 F6 and the new compound CoSbO4 . The compounds express large differences in their morphology: CoSbO4 grows as thin needles whereas Co3 Sb4 O6 F6 grows as larger facetted crystals. Despite the smaller surface area the latter compound shows a better catalytic performance. When the compound Co3 Sb4 O6 F6 was used it gave a low increase of +0...
November 10, 2016: Chemistry: a European Journal
John Tenayuca, Kimberley Cousins, Shumei Yang, Lubo Zhang
Cytosine methylation at CpG dinucleotides is a chief mechanism in epigenetic modification of gene expression patterns. Previous studies demonstrated that increased CpG methylation of Sp1 sites at -268 and -346 of protein kinase C  promoter repressed the gene expression. The present study investigated the impact of CpG methylation on the Sp1 binding via molecular modeling and electrophoretic mobility shift assay. Each of the Sp1 sites contain two CpGs. Methylation of either CpG lowered the binding affinity of Sp1, whereas methylation of both CpGs produced a greater decrease in the binding affinity...
November 16, 2016: Current Topics in Medicinal Chemistry
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