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https://www.readbyqxmd.com/read/29926724/robot-based-high-throughput-engineering-of-alcoholic-polymer-fullerene-nanoparticle-inks-for-the-eco-friendly-processing-of-organic-solar-cells
#1
Chen Xie, Xiaofeng Tang, Marvin Berlinghof, Stefan Langner, Shi Chen, Andreas Späth, Ning Li, Rainer H Fink, Tobias Unruh, Christoph J Brabec
Development of high-quality organic nanoparticle inks is a significant scientific challenge for the industrial production of solution-processed organic photovoltaics (OPVs) with eco-friendly processing methods. In this work, we demonstrate a novel, robot-based, high-throughput procedure performing automatic poly(3-hexylthio- phene-2,5-diyl) (P3HT) and indene-C60 bisadduct (ICBA) nanoparticle ink synthesis in non-toxic alcohols. A novel methodology to prepare particle dispersions for fully functional OPVs by manipulating the particle size and solvent system was studied in detail...
June 21, 2018: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29850105/crystal-structure-and-hirshfeld-surface-analysis-of-1-2-4-di-chloro-benz-yl-5-methyl-n-thio-phene-2-sulfon-yl-1-h-pyrazole-3-carboxamide
#2
Abdullah Aydin, Mehmet Akkurt, Zehra Tugce Gur, Erden Banoğlu
In the title compound, C16 H13 Cl2 N3 O3 S2 , the thio-phene ring is disordered in a 0.762 (3):0.238 (3) ratio by an approximate 180° rotation of the ring around the S-C bond linking the ring to the sulfonyl unit. The di-chloro-benzene group is also disordered over two sets of sites with the same occupancy ratio. The mol-ecular conformation is stabilized by intra-molecular C-H⋯Cl and C-H⋯N hydrogen bonds, forming rings with graph-set notation S (5). In the crystal, pairs of mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds, forming inversion dimers with graph-set notation R 2 2 (8) and R 1 2 (11), which are connected by C-H⋯O hydrogen-bonding inter-actions into ribbons parallel to (100)...
May 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/29850051/crystal-structure-and-hirshfeld-analysis-of-2-5-bromo-thio-phen-2-yl-aceto-nitrile
#3
Ted M Pappenfus, Tiana L Wood, Joseph L Morey, Wyatt D Wilcox, Daron E Janzen
The title compound, C6 H4 BrNS, crystallizes in the space group P 21 / n with one complete mol-ecule in the asymmetric unit. The non-H atoms are nearly planar (r.m.s for non-H atoms = 0.071 Å), with the nitrile group oriented anti-periplanar with respect to the thio-phene S atom. Inter-molecular Type I centrosymmetric Br⋯Br halogen inter-actions are present at a distance of 3.582 (1) Å and with a C-Br⋯Br angle of 140.7 (1)°. Additional weaker C-H⋯N, C-H⋯S, and S⋯π inter-actions are also present...
February 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/29775042/bioinspired-synergy-sensor-chip-of-photonic-crystals-graphene-oxide-for-multiamines-recognition
#4
Wanjie Ren, Meng Qin, Xiaotian Hu, Fengyu Li, Yuanfeng Wang, Yu Huang, Meng Su, Wenbo Li, Xin Qian, Kang-Lai Tang, Yanlin Song
Benefiting from the integrated functions of cilia and glomeruli in the olfactory system, animals can discriminate various odors even in hostile environments. Inspired by this synergetic system of response and signal processing units, a sensor chip of graphene oxide (GO) and photonic crystals (PCs) is fabricated. The GO aerogel functions like the olfactory cilia, which effectively captures the analytes and generates abundant sensing signals for recognition; and the PCs act as the olfactory glomeruli, whose periodic structure enables selective enhancement of the fluorescent signals to realize further signal processing...
May 21, 2018: Analytical Chemistry
https://www.readbyqxmd.com/read/29765713/different-packing-motifs-of-isomeric-e-n-halo-phenyl-methyl-idene-n-methyl-2-thio-phen-2-yl-acetohydrazides-controlled-by-c-h%C3%A2-o-inter-actions
#5
Laura N F Cardoso, Thais C M Noguiera, James L Wardell, Marcus V N de Souza, William T A Harrison
The crystal structures of three isomeric ( E )- N '-(chloro-phenyl-methyl-idene)- N -methyl-2-(thio-phen-2-yl)acetohydrazides (C14 H13 ClN2 OS) are described, with the Cl atom in ortho (I), meta (III) and para (IV) positions in the benzene ring. The ortho -bromo derivative (II) (C14 H13 BrN2 OS), which is isostructural with its chloro congener (I), is also reported. Mol-ecules (I)-(III) have similar conformations, which approximate to l-shapes, as indicated by their N-C-C-Ct (t = thio-phene) torsion angles of -90...
March 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/29755746/polymorphism-of-terthio-phene-with-surface-confinement
#6
Roland Resel, Andrew O F Jones, Guillaume Schweicher, Roland Fischer, Nicola Demitri, Yves Henri Geerts
The origin of unknown polymorphic phases within thin films is still not well understood. This work reports on crystals of the molecule terthio-phene which were grown by thermal gradient crystallization using glass-plate substrates. The crystalline domains displayed a plate-like morphology with an extended lateral size of about 100 µm, but a thickness of only a few µm. Specular X-ray diffraction patterns confirmed the presence of a new polymorph of terthio-phene. Crystal structure solution from a single crystal peeled from the film revealed a structure with an extremely large unit-cell volume containing 42 independent molecules...
May 1, 2018: IUCrJ
https://www.readbyqxmd.com/read/29712424/in-situ-surface-enhanced-infrared-absorption-spectroscopy-of-aqueous-molecules-with-facile-prepared-large-area-reduced-graphene-oxide-island-film
#7
Fengjuan Cao, Lie Wu, Yudi Ruan, Jing Bai, Xiue Jiang
Midinfrared plasmons in patterned graphene could advance the development of surface-enhanced infrared absorption spectroscopy (SEIRAS). However, limitation in measuring the extinction spectra with transmission and external reflection configurations greatly restricts the analyses of aqueous samples. In addition, complicated, time- and cost-consuming preparation of patterned graphene also limits its progress. Here we demonstrate a facile-prepared large-scale reduced graphene oxide island film on a total internal reflection silicon prism, which not only shows a prominent enhancement effect in mid-infrared region but also effectively eliminates the contribution of bulk solution by optical near-field effect...
June 5, 2018: Analytical Chemistry
https://www.readbyqxmd.com/read/29665165/yamamoto-coupling-for-the-synthesis-of-benzophenes-and-acene-based-cyclooctatetraenes
#8
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
https://www.readbyqxmd.com/read/29574982/reduced-root-cortical-burden-improves-growth-and-grain-yield-under-low-phosphorus-availability-in-maize
#9
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% to 67%. Plants with 0.2 mm2 less LCA under low phosphorus had 75% less root segment respiration, 54% less root phosphorus content, rooted 20 cm deeper, allocated up to four times more roots between 60 and 120 cm depth, had between 20% and 150% more biomass, 35-40% greater leaf phosphorus content, and 60% greater grain yield compared with plants with high LCA...
March 25, 2018: Plant, Cell & Environment
https://www.readbyqxmd.com/read/29535336/tissue-phenomics-for-prognostic-biomarker-discovery-in-low-and-intermediate-risk-prostate-cancer
#10
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
https://www.readbyqxmd.com/read/29416890/crystal-structure-of-s-5-chloro-n-2-oxo-3-4-3-oxomorpholin-4-yl-phen-yl-oxazolidin-5-yl-meth-yl-thio-phene-2-carboxamide
#11
Jie Shen, Gu-Ping Tang, Xiu-Rong Hu
The asymmetric unit of the crystal of the title compound (common name rivaroxaban), C19 H18 ClN3 O5 , 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
https://www.readbyqxmd.com/read/29401394/formation-of-supported-graphene-oxide-evidence-for-enolate-species
#12
Zbynek Novotny, Manh-Thuong Nguyen, Falko P Netzer, Vassiliki-Alexandra Glezakou, Roger Rousseau, Zdenek Dohnálek
Graphene oxides are promising materials for novel electronic devices or anchoring of the active sites for catalytic applications. Here we focus on understanding the atomic oxygen (AO) binding and mobility on different regions of graphene (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...
April 18, 2018: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29310438/revealing-the-physicochemical-basis-of-organic-solid-solid-wetting-deposition-casimir-like-forces-hydrophobic-collapse-and-the-role-of-the-zeta-potential
#13
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
https://www.readbyqxmd.com/read/29261306/control-of-chain-walking-by-weak-neighboring-group-interactions-in-unsymmetrical-catalysts
#14
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
https://www.readbyqxmd.com/read/29250381/crystal-structure-of-a-new-polymorph-of-di-thio-phen-3-yl-ketone
#15
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
https://www.readbyqxmd.com/read/29152342/green-synthesis-and-crystal-structure-of-3-benzo-thia-zol-2-yl-thio-phene
#16
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
https://www.readbyqxmd.com/read/29152340/crystal-structures-and-hirshfeld-surfaces-of-differently-substituted-e-n-benzyl-idene-n-methyl-2-thio-phen-2-yl-acetohydrazides
#17
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
https://www.readbyqxmd.com/read/29057644/ultradispersed-and-single-layered-mos2-nanoflakes-strongly-coupled-with-graphene-an-optimized-structure-with-high-kinetics-for-the-hydrogen-evolution-reaction
#18
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
https://www.readbyqxmd.com/read/29018159/phenomics-of-root-system-architecture-measuring-and-analyzing-root-phenes-by-larry-york-and-guillaume-lobet
#19
(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
https://www.readbyqxmd.com/read/28985065/the-origin-of-chalcogen-bonding-interactions
#20
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
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