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Elias Rüdiger, Silke Koser, Frank Rominger, Jan Freudenberg, Uwe Heiko Bunz
Two TIPS-ethynylated dibromoacenes were used in a shotgun Yamamoto-reaction with 1,2-dibromobenzene or 4,5 dibro¬mo-veratrol. Four soluble benzo¬nonaphenes/benzo¬undeca¬phenes were isolated in satisfactory yields. Examples of tetracene- and pentacene-fused tetrabenzo¬cyclo¬octatetraenes also isolated from this reaction are reported. All compounds were characterized by UV/Vis and fluorescence spectroscopy, cyclic voltammetry, X-ray crystallo¬graphy as well as DFT and NICS calculations.
April 17, 2018: Chemistry: a European Journal
Tania Galindo-Castañeda, Kathleen M Brown, Jonathan P Lynch
Root phenes and phene states that reduce the metabolic cost of soil exploration may improve plant growth under low phosphorus availability. We tested the hypothesis that under low phosphorus, reduced Living Cortical Area (LCA) would increase soil exploration, phosphorus capture, biomass and grain yield. Maize genotypes contrasting in LCA were grown in the field and in greenhouse mesocosms under optimal and suboptimal phosphorus regimes. Percent LCA in nodal roots ranged from 25-67%. Plants with 0.2 mm2 less LCA under low phosphorus had 75% less root segment respiration , and 54% less root phosphorus content, rooted 20 cm deeper, allocated up to four times more roots between 60 - 120 cm depth, had between 20-150% more biomass, 35-40% greater leaf phosphorus content, and 60% greater grain yield compared to plants with high LCA...
March 25, 2018: Plant, Cell & Environment
Nathalie Harder, Maria Athelogou, Harald Hessel, Nicolas Brieu, Mehmet Yigitsoy, Johannes Zimmermann, Martin Baatz, Alexander Buchner, Christian G Stief, Thomas Kirchner, Gerd Binnig, Günter Schmidt, Ralf Huss
Tissue Phenomics is the discipline of mining tissue images to identify patterns that are related to clinical outcome providing potential prognostic and predictive value. This involves the discovery process from assay development, image analysis, and data mining to the final interpretation and validation of the findings. Importantly, this process is not linear but allows backward steps and optimization loops over multiple sub-processes. We provide a detailed description of the Tissue Phenomics methodology while exemplifying each step on the application of prostate cancer recurrence prediction...
March 13, 2018: Scientific Reports
Jie Shen, Gu-Ping Tang, Xiu-Rong Hu
The asymmetric unit of the crystal of the title compound (common name rivaroxaban), C19H18ClN3O5, contains two rivaroxaban mol-ecules with different conformations; the C-C-N-C torsion angles between the oxazolidine and thio-phene rings are -171.1 (7) and -106.8 (9)° in the two independent mol-ecules. In the crystal, classical N-H⋯O hydrogen bonds and weak C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular architecture.
January 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
Zbynek Novotny, Manh-Thuong Nguyen, Falko P Netzer, Vassiliki-Alexandra Glezakou, Roger Rousseau, Zdenek Dohnalek
Graphene oxides are promising materials for novel electronic devices or anchoring of the active sites for catalytic ap-plications. Here we focus on understanding the atomic oxygen (AO) binding and mobility on different regions of gra-phene (Gr) on Ru(0001). Differences in the Gr/Ru lattices result in the superstructure, which offers an array of distinct adsorption sites. We employ scanning tunneling microscopy and density functional theory to map out the chemical identity and stability of prepared AO functionalities in different Gr regions...
February 5, 2018: Journal of the American Chemical Society
Alexander Eberle, Thomas Markert, Frank Trixler
Supramolecular self-assembly at the solid-solid interface enables the deposition and monolayer formation of insoluble organic semiconductors under ambient conditions. The underlying process, termed as the organic solid-solid wetting deposition (OSWD), generates two-dimensional adsorbates directly from dispersed three-dimensional organic crystals. This straightforward process has important implications in various fields of research and technology, such as in the domains of low-dimensional crystal engineering, the chemical doping and band gap engineering of graphene, and in the area of field-effect transistor fabrication...
January 31, 2018: Journal of the American Chemical Society
Laura Falivene, Thomas Wiedemann, Inigo Göttker-Schnetmann, Lucia Caporaso, Luigi Cavallo, Stefan Mecking
A combined theoretical and experimental study shows how weak attractive interactions of a neighboring group can strongly promote chain walking and chain transfer. This accounts for the previously observed very different microstructures obtained in ethylene polymerization by [κ2 -N,O-{2,6-(3',5'-R2 C6 H3 )2 C6 H3 -N═C(H)-(3,5-X,Y-2-O-C6 H2 )}NiCH3 (pyridine)], namely hyperbranched oligomers for remote substituents R = CH3 versus high-molecular-weight polyethylene for R = CF3 . From a full mechanistic consideration, the alkyl olefin complex with the growing chain cis to the salicylaldiminato oxygen donor is identified as the key species...
January 31, 2018: Journal of the American Chemical Society
Jörg Hübscher, André U Augustin, Wilhelm Seichter, Edwin Weber
The crystal structure of the title compound, C9 H6 OS2 , represents a new polymorph. The crystal structure was solved in the ortho-rhom-bic space group Pbcn with one half of the mol-ecule in the asymmetric unit. The thio-phene rings are perfectly planar and twisted with respect to each other, showing the mol-ecule to be in an S,O- trans /S,O- trans conformation. In the crystal, C-H⋯O hydrogen bonds connect the mol-ecules into layers extending parallel to the ab plane. The crystal structure also features π-π inter-actions...
October 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
Linh Nguyen Ngoc, Trung Vu Quoc, Hoan Duong Quoc, Manh Vu Quoc, Luong Truong Minh, Chien Thang Pham, Luc Van Meervelt
The title compound, C11 H7 NS2 , was prepared in high yield (87%) using a solvent-free microwave-assisted synthesis. The structure shows whole-mol-ecule disorder with occupancies for two orientations (A and B) of 0.4884 (10) and 0.5116 (10), respectively. The thio-phene and benzo-thia-zole rings are almost planar and make dihedral angles of 10.02 (18) and 12.54 (19)° for orientations A and B, respectively. Slipped π-π stacking between the aromatic rings, together with C-H⋯π, C-H⋯S and C-H⋯N inter-actions, result in a herringbone motif in the crystal packing...
November 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
Laura N F Cardoso, Thais C M Noguiera, Carlos R Kaiser, James L Wardell, Marcus V N de Souza, William T A Harrison
The syntheses and crystal structures of ( E )- N '-(3-cyano-benzyl-idene)- N -methyl-2-(thio-phen-2-yl)acetohydrazide, C15 H13 N3 OS, (I), and ( E )- N '-(4-meth-oxy-benzyl-idene)- N -methyl-2-(thio-phen-2-yl)acetohydrazide, C15 H16 N2 O2 S, (II), with different substituents in the meta and para position of the benzene ring are described. Compounds (I) and (II) both crystallize with two mol-ecules in the asymmetric unit, with generally similar conformations [r.m.s. overlay fits for (I) and (II) of 0.334 and 0...
November 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
Haoliang Huang, Junying Huang, Weipeng Liu, Yueping Fang, Yingju Liu
As one of the most promising Pt alternatives for cost-effective hydrogen production, molybdenum disulfide (MoS2), although has been studied extensively to improve its electrocatalytic activity, suffers from scarce active sites, low conductivity, and lack of interaction with substrates. To this end, we anchor ultradispersed and single-layered MoS2 nanoflakes on graphene sheets via a hybrid intermediate (MoOx-cysteine-graphene oxide), which not only confines the subsequent growth of MoS2 on the graphene surface but also ensures the intimate interaction between Mo species and graphene at the initial stage...
October 31, 2017: ACS Applied Materials & Interfaces
(no author information available yet)
Summaryplantcell;29/9/tpc.117.tt0917/FIG1F1fig1One of roots' key roles is to secure access to water and nutrients for the plant, often in a highly heterogeneous and challenging environment. To cope with such function, root systems have evolved as highly plastic, responsive and diverse organs. However, due to technical constraints, root research has long been stuck in its infancy. This teaching tool discusses the relatively young field of root system architecture quantification. It introduces the concepts of phenes (like genes, but referring to the phenotype), and architectural concepts including morphology, geometry, and topology...
September 2017: Plant Cell
Dominic J Pascoe, Kenneth B Ling, Scott L Cockroft
Favorable molecular interactions between group 16 elements have been implicated in catalysis, biological processes, and materials and medicinal chemistry. Such interactions have since become known as chalcogen bonds by analogy to hydrogen and halogen bonds. Although the prevalence and applications of chalcogen-bonding interactions continues to develop, debate still surrounds the energetic significance and physicochemical origins of this class of σ-hole interaction. Here, synthetic molecular balances were used to perform a quantitative experimental investigation of chalcogen-bonding interactions...
October 17, 2017: Journal of the American Chemical Society
Trung Vu Quoc, Linh Nguyen Ngoc, Vy Do Truc, Linh Duong Khanh, Hung Ha Manh, Chien Thang Pham, Luc Van Meervelt
In the title compound, C7H8N4S2, the thio-phene ring shows rotational disorder over two orientations in a 0.6957 (15):0.3043 (15) ratio. The plane of the 1,2,4-triazole ring makes a dihedral angle of 75.02 (17)° with the major-disorder component of the thiophene ring. In the crystal, two types of inversion dimers, described by the graph-set motifs R2(2)(8) and R2(2)(10), are formed by N-H⋯S inter-actions. Chains of mol-ecules running in the [101] direction are linked by weaker N-H⋯N inter-actions...
September 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
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
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
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
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
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
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
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