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https://www.readbyqxmd.com/read/28638655/crystal-structure-of-n-4-oxo-2-sulfanyl-idene-1-3-thia-zolidin-3-yl-2-thio-phen-3-yl-acetamide
#1
Trung Vu Quoc, Linh Nguyen Ngoc, Cong Nguyen Tien, Chien Thang Pham, Luc Van Meervelt
The title compound, C9H8N2O2S3, crystallizes with two mol-ecules (A and B) in the asymmetric unit. Both have similar conformations (overlay r.m.s. deviation = 0.209 Å) and are linked by an N-H⋯O hydrogen bond. In both mol-ecules, the thio-phene rings show orientational disorder, with occupancy factors of 0.6727 (17) and 0.3273 (17) for mol-ecule A, and 0.7916 (19) and 0.2084 (19) for mol-ecule B. The five-membered rings make an angle of 79.7 (2)° in mol-ecule A and an angle of 66.8 (2)° in mol-ecule B...
June 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/28466637/on-chip-evaluation-of-dna-methylation-with-electrochemical-combined-bisulfite-restriction-analysis-utilizing-a-carbon-film-containing-a-nanocrystalline-structure
#2
Ryoji Kurita, Hiroyuki Yanagisawa, Tomoyuki Kamata, Dai Kato, Osamu Niwa
This paper reports an on-chip electrochemical assessment of the DNA methylation status in genomic DNA on a conductive nanocarbon film electrode realized with combined bisulfite restriction analysis (COBRA). The film electrode consists of sp(2) and sp(3) hybrid bonds and is fabricated with an unbalanced magnetron (UBM) sputtering method. First, we studied the effect of the sp(2)/sp(3) ratio of the UBM nanocarbon film electrode with p-aminophenol, which is a major electro-active product of the labeling enzyme from p-aminophenol phosphate...
June 6, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28435701/crystal-structure-of-2e-3-4-di-methyl-amino-phen-yl-1-thio-phen-2-yl-prop-2-en-1-one
#3
Gabriela Porto de Oliveira, Leandro Bresolin, Darlene Correia Flores, Renan Lira de Farias, Adriano Bof de Oliveira
The equimolar reaction between 4-(di-methyl-amino)-benzaldehyde and 2-acetyl-thio-phene in basic ethano-lic solution yields the title compound, C15H15NOS, whose mol-ecular structure matches the asymmetric unit. The mol-ecule is not planar, the dihedral angle between the aromatic and the thio-phene rings being 11.4 (2)°. In the crystal, mol-ecules are linked by C-H⋯O and weak C-H⋯S inter-actions along [100], forming R2(2) (8) rings, and by weak C-H⋯O inter-actions along [010], forming chains with a C(6) graph-set motif...
April 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/28316813/crystal-structure-of-poly-aqua-%C3%AE-2-3-di-hydro-thieno-3-4-b-1-4-dioxine-5-7-di-carboxyl-ato-%C3%AE%C2%BA-2-o-5-o-7-%C3%AE-di-pyridin-4-yl-sulfane-%C3%AE%C2%BA-2-n-n-zinc-0-26-hydrate
#4
Wen-Liang Wu, Bing Hu
The crystal structure of the title polymer, {[Zn(C8H4O6S)(C10H8N2S)(H2O)]·0.26H2O} n , is characterized by a layered arrangement parallel to the ab plane. The zinc cation is five-coordinated in a slightly distorted trigonal-bipyramidal coordination environment defined by two pyridine ligands, two carboxyl-ate groups of two thio-phene di-carboxyl-ate ligands, and by one water mol-ecule. The ethyl-ene bridge in the dioxine ligand is disordered over two sets of sites [occupancy ratio 0.624 (9):0.376 (9)]...
March 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/28217337/crystal-structures-of-three-1-oxo-1-2-di-hydro-naphthalene-derivatives-dimethyl-4-4-meth-oxy-phen-yl-2-4-methyl-phen-yl-1-oxo-1-2-di-hydro-naphthalene-2-3-di-carboxyl-ate-dimethyl-1-oxo-2-pyren-4-yl-4-thio-phen-2-yl-1-2-di-hydro-naphthalene-2-3-di-carboxyl
#5
S Gopinath, P Narayanan, K Sethusankar, Jeyachandran Karunakaran, Meganathan Nandakumar, Arasambattu K Mohanakrishnan
In the title 1-oxo-1,2-di-hydro-naphthalene derivatives, C28H24O6, (I), C34H22O5S, (II), and C27H20O3S2, (III), the cyclo-hexa-1,3-diene rings of the 1,2-di-hydro-naphthalene ring systems adopt half-chair, boat and half-chair conformations, respectively. The carbonyl O atoms attached to the di-hydro-naphthalene ring systems are each significantly deviated from the mean plane of the 1,2-di-hydro-naphthalene ring system, by 0.6162 (12) Å in (I), 0.6016 (16) Å in (II) and 0.515 (3) Å in (III). The mean planes of the 1,2-di-hydro-naphthalene ring systems make dihedral angles of 85...
February 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/28106362/dibenzothiophene-s-s-dioxide-and-bispyridinium-based-cationic-polyfluorene-derivative-as-an-efficient-cathode-modifier-for-polymer-solar-cells
#6
Guiting Chen, Sha Liu, Jin Xu, Ruifeng He, Zhicai He, Hong-Bin Wu, Wei Yang, Bin Zhang, Yong Cao
A novel n-type conjugated polymer containing dibenzothiophene-S,S-dioxide (FSO), bispyridinium, and fluorene scaffolds in the backbone (PFSOPyCl) was synthesized and used in the cathode interfacial layers (CILs) of conventional polymer solar cells (PSCs). The high electron affinities and large planar structures of the FSO and bispyridinium units endowed this polymer with good energy level alignments with [6,6]-phenyl-C71 butyric acid methyl ester (PC71BM) and metal cathode, and excellent electron transport and extraction properties...
January 30, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/27980820/crystal-structures-of-two-new-carbazole-derivatives-12-4-nitro-phen-yl-7-phenyl-sulfonyl-7h-benzofuro-2-3-b-carbazole-and-2-methyl-4-4-nitro-phen-yl-9-phenyl-sulfonyl-9h-thieno-2-3-b-carbazole
#7
K Swaminathan, P Narayanan, K Sethusankar, Velu Saravanan, Arasambattu K Mohanakrishnan
The title compounds, C30H18N2O5S, (I), and C27H18N2O4S2, (II), are carbazole derivatives with a phenyl-sulfonyl group and a nitro-phenyl group attached to the carbazole moiety in identical positions in both mol-ecules. A benzo-furan ring system in (I) and a methyl-thio-phene ring in (II) are fused with the respective carbazole moieties on the same sides. The mean plane of the carbazole ring system makes a dihedral angle of 3.17 (7)° with the benzo-furan ring system in (I) and a dihedral angle of 3.39 (11)° with the methyl-thio-phene ring in (II), implying that both fused units are essentially planar...
December 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27920924/crystal-structure-of-6-p-tol-yl-benzo-b-naphtho-2-3-d-thio-phene-and-of-an-ortho-rhom-bic-polymorph-of-7-phenyl-anthra-2-3-b-benzo-d-thio-phene
#8
S Gopinath, K Sethusankar, Helen Stoeckli-Evans, Muhamad Rafiq, Arasambattu K Mohanakrishnan
The title compounds, C23H16S, (I), and C26H16S, (II), are benzo-thio-phene derivatives in which the benzo-thio-phene moiety is fused with a naphthalene ring system in (I), and with an anthracene ring system in (II). In (I), the mean plane of the benzo-thio-phene ring system makes a dihedral angle of 2.28 (6)° with the naphthalene ring system, and a dihedral angle of 1.28 (6)° with the anthracene ring system in (II), showing that the fused units are essentially planar. In (I), the 4-methyl-benzene ring substituent makes a dihedral angle of 71...
September 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27920923/mer-tri-chlorido-tris-tetra-hydro-thio-phene-%C3%AE%C2%BAs-iridium-iii-preparation-and-comparison-with-other-mer-tri-chlorido-tris-tetra-hydro-thio-phene-%C3%AE%C2%BAs-metal-complexes
#9
Loren C Brown, Christine M DuChane, Joseph S Merola
The title complex, [IrCl3(C4H8S)3], was prepared according to a literature method. A suitable crystal was obtained by diffusion of pentane into a di-chloro-methane solution and analyzed by single-crystal X-ray diffraction at 100 K. The title complex is isotypic with mer-tri-chlorido-tris-(tetra-hydro-thio-phene-κS)rhodium(III). However, the orientation of the tetra-hydro-thio-phene rings is different from an earlier report of mer-tri-chlorido-tris-(tetra-hydro-thio-phene-κS)iridium(III) deposited in the Cambridge Structural Database...
September 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27864597/genome-wide-association-mapping-and-agronomic-impact-of-cowpea-root-architecture
#10
James D Burridge, Hannah M Schneider, Bao-Lam Huynh, Philip A Roberts, Alexander Bucksch, Jonathan P Lynch
Genetic analysis of data produced by novel root phenotyping tools was used to establish relationships between cowpea root traits and performance indicators as well between root traits and Striga tolerance. Selection and breeding for better root phenotypes can improve acquisition of soil resources and hence crop production in marginal environments. We hypothesized that biologically relevant variation is measurable in cowpea root architecture. This study implemented manual phenotyping (shovelomics) and automated image phenotyping (DIRT) on a 189-entry diversity panel of cowpea to reveal biologically important variation and genome regions affecting root architecture phenes...
February 2017: TAG. Theoretical and Applied Genetics. Theoretische und Angewandte Genetik
https://www.readbyqxmd.com/read/27857711/in-vitro-effectiveness-of-commercial-bacteriophage-cocktails-on-diverse-extended-spectrum-beta-lactamase-producing-escherichia-coli-strains
#11
Aycan Gundogdu, Darajen Bolkvadze, Huseyin Kilic
The objective of this study is to determine the in vitro susceptibility of Georgian bacteriophage cocktails on multidrug resistant (MDR) extended-spectrum beta-lactamase producing Escherichia coli (ESBL-EC) isolated from patients' blood and urine cultures. A total of 615 E. coli isolates were included in this study. Phene Plate (PhP)-typing and phylogenetic grouping were used for the typing. Antimicrobial resistance profiles and ESBL production of all isolates were confirmed according to Clinical and Laboratory Standards Institute (CLSI) criteria...
2016: Frontiers in Microbiology
https://www.readbyqxmd.com/read/27774392/an-organic-mixed-ion-electron-conductor-for-power-electronics
#12
Abdellah Malti, Jesper Edberg, Hjalmar Granberg, Zia Ullah Khan, Jens W Andreasen, Xianjie Liu, Dan Zhao, Hao Zhang, Yulong Yao, Joseph W Brill, Isak Engquist, Mats Fahlman, Lars Wågberg, Xavier Crispin, Magnus Berggren
A mixed ionic-electronic conductor based on nanofibrillated cellulose composited with poly(3,4-ethylene-dioxythio-phene):-poly(styrene-sulfonate) along with high boiling point solvents is demonstrated in bulky electrochemical devices. The high electronic and ionic conductivities of the resulting nanopaper are exploited in devices which exhibit record values for the charge storage capacitance (1F) in supercapacitors and transconductance (1S) in electrochemical transistors.
February 2016: Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
https://www.readbyqxmd.com/read/27746918/supra-molecular-inter-actions-in-the-1-2-co-crystal-of-4-4-bipyridine-and-3-chloro-thio-phene-2-carb-oxy-lic-acid
#13
Olakkandiyil Prajina, Packianathan Thomas Muthiah, David K Geiger
The asymmetric unit of the title compound, 2C5H3ClO2S·C10H8N2, is comprised of a mol-ecule of 3-chloro-thio-phene-2-carb-oxy-lic acid (3TPC) and half of a mol-ecule of 4,4'-bi-pyridine (BPY). A distinctive O-H⋯N-based synthon is present. Cl⋯Cl and π-π stacking inter-actions further stabilize the crystal structure, forming a two-dimensional network parallel to the bc plane.
October 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27555959/crystal-structure-of-4-amino-5-chloro-2-6-di-methyl-pyrimidinium-thio-phene-2-5-di-carboxyl-ate
#14
Ammaiyappan Rajam, Packianathan Thomas Muthiah, Ray J Butcher, Matthias Zeller
In the title salt, C6H9ClN3 (+)·C6H3O4S(-), the cations and anions are linked via O-H⋯O and N-H⋯O hydrogen bonds, forming R 6 (6)(37) ring motifs that are inter-connected with each other, producing sheets. Separate parallel inversion-related sheets are linked through N-H⋯N and π-π stacking inter-actions [centroid-centroid distance = 3.5414 (13) Å], forming double layers parallel to (101). Weak C-H⋯O and C-H⋯S hydrogen bonds, as well as C-H⋯π inter-actions, connect the double layers into a three-dimensional network...
July 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27555956/n-1e-5-nitro-furan-2-yl-methyl-idene-thio-phene-2-carbohydrazide-crystal-structure-and-hirshfeld-surface-analysis
#15
Laura N F Cardoso, Thais C M Nogueira, James L Wardell, Solange M S V Wardell, Marcus V N de Souza, Mukesh M Jotani, Edward R T Tiekink
In the title carbohydrazide, C10H7N3O4S, the dihedral angle between the terminal five-membered rings is 27.4 (2)°, with these lying to the same side of the plane through the central CN2C(=O) atoms (r.m.s. deviation = 0.0403 Å), leading to a curved mol-ecule. The conformation about the C=N imine bond [1.281 (5) Å] is E, and the carbonyl O and amide H atoms are anti. In the crystal, N-H⋯O hydrogen bonds lead to supra-molecular chains, generated by a 41 screw-axis along the c direction. A three-dimensional architecture is consolidated by thienyl-C-H⋯O(nitro) and furanyl-C-H⋯O(nitro) inter-actions, as well as π-π inter-actions between the thienyl and furanyl rings [inter-centroid distance = 3...
July 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27536410/crystal-structure-and-computational-study-of-2-4-di-chloro-n-e-5-nitro-thio-phen-2-yl-methyl-idene-aniline
#16
Yavuz Köysal, Hakan Bülbül, Sümeyye Gümüş, Erbil Ağar, Mustafa Serkan Soylu
The title compound, C11H6Cl2N2O2S, is a Schiff base that incorporates an N-bound 2,4-di-chloro-phenyl and a C-bound 5-nitro-thio-phene ring. The mol-ecule is approximately planar, the maximum deviation from the mean plane being 0.233 (4) Å for the C=N N atom. The dihedral angle between the benzene and thio-phene rings is 9.7 (2)°. The C=N double bond has an E configuration. The crystal structure features C-H⋯O hydrogen bonds,forming sheets parallel to (10-1), and π-π stacking inter-actions between symmetry-related thio-phene and benzene rings, in which the distance between adjacent ring centroids is 3...
August 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27308030/crystal-structure-of-canagliflozin-hemihydrate
#17
Kai-Hang Liu, Jian-Ming Gu, Xiu-Rong Hu, Gu-Ping Tang
There are two canagliflozin mol-ecules (A and B) and one water mol-ecule in the asymmetric unit of the title compound, C24H25FO5S·0.5H2O [systematic name: (2S,3R,4R,5S,6R)-2-(3-{[5-(4-fluoro-phen-yl)thio-phen-2-yl]meth-yl}-4-methylphen-yl)-6-(hy-droxy-meth-yl)-3,4,5,6-tetra-hydro-2H-pyran-3,4,5-triol hemihydrate]. The dihedral angles between the methyl-benzene and thio-phene rings are 115.7 (4) and 111.7 (4)°, while the dihedral angles between the fluoro-benzene and thio-phene rings are 24.2 (6) and 20...
May 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27308013/supra-molecular-inter-actions-in-a-1-1-co-crystal-of-acridine-and-3-chloro-thio-phene-2-carb-oxy-lic-acid
#18
Olakkandiyil Prajina, Packianathan Thomas Muthiah, Franc Perdih
In the title co-crystal, C5H3ClO2S·C13H9N, the components inter-act with each other via an O-H⋯N hydrogen bond. Acridine-acridine stacking, thio-phene-thio-phene stacking and acridine-thio-phene C-H⋯π inter-actions also occur in the crystal.
May 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27308011/crystal-structures-of-z-5-2-benzo-b-thio-phen-2-yl-1-3-5-di-meth-oxy-phen-yl-ethen-yl-1h-tetra-zole-and-z-5-2-benzo-b-thio-phen-3-yl-1-3-4-5-tri-meth-oxy-phen-yl-ethen-yl-1h-tetra-zole
#19
Narsimha Reddy Penthala, Jaishankar K B Yadlapalli, Sean Parkin, Peter A Crooks
(Z)-5-[2-(Benzo[b]thio-phen-2-yl)-1-(3,5-di-meth-oxy-phen-yl)ethen-yl]-1H-tetrazole methanol monosolvate, C19H16N4O2S·CH3OH, (I), was prepared by the reaction of (Z)-3-(benzo[b]thio-phen-2-yl)-2-(3,5-di-meth-oxy-phen-yl)acrylo-nitrile with tri-butyl-tin azide via a [3 + 2]cyclo-addition azide condensation reaction. The structurally related compound (Z)-5-[2-(benzo[b]thio-phen-3-yl)-1-(3,4,5-tri-meth-oxy-phen-yl)ethen-yl]-1H-tetra-zole, C20H18N4O3S, (II), was prepared by the reaction of (Z)-3-(benzo[b]thio-phen-3-yl)-2-(3,4,5-tri-meth-oxy-phen-yl)acrylo-nitrile with tri-butyl-tin azide...
May 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27255099/root-adaptations-to-soils-with-low-fertility-and-aluminium-toxicity
#20
Idupulapati M Rao, John W Miles, Stephen E Beebe, Walter J Horst
BACKGROUND: Plants depend on their root systems to acquire the water and nutrients necessary for their survival in nature, and for their yield and nutritional quality in agriculture. Root systems are complex and a variety of root phenes have been identified as contributors to adaptation to soils with low fertility and aluminium (Al) toxicity. Phenotypic characterization of root adaptations to infertile soils is enabling plant breeders to develop improved cultivars that not only yield more, but also contribute to yield stability and nutritional security in the face of climate variability...
June 1, 2016: Annals of Botany
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