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Antony J Fairbanks
Antony J. Fairbanks is a Professor in the Department of Chemistry at the University of Canterbury in New Zealand. The research of his group focuses on the broad areas of organic synthesis, particularly applied to carbohydrates. He currently serves as an active Editorial Board member for ChemistryOpen .
February 2019: ChemistryOpen
Sudip Pan, Gourhari Jana, Gabriel Merino, Pratim K Chattaraj
This Review presents the current status of the noble gas (Ng)-noble metal chemistry, which began in 1977 with the detection of AuNe+ through mass spectroscopy and then grew from 2000 onwards; currently, the field is in a somewhat matured state. On one side, modern quantum chemistry is very effective in providing important insights into the structure, stability, and barrier for the decomposition of Ng compounds and, as a result, a plethora of viable Ng compounds have been predicted. On the other hand. experimental achievement also goes beyond microscopic detection and characterization through spectroscopic techniques and crystal structures at ambient temperature; for example, (AuXe4 )2+ (Sb2 F11 - )2 have also been obtained...
February 2019: ChemistryOpen
Qing Zhou, Lei Liu, Wen-Di Guo, Wen-Yu Liang, Yong Lu, Ye Liu
A series of ionic (mono-/di-)phosphines ( L2 , L4 , and L6 ) with structural similarity and their corresponding neutral counterparts ( L1 , L3 , and L5 ) were applied to modulate the catalytic performance of RuCl3  ⋅ 3H2 O. With the involvement of the ionic diphosphine ( L4 ), in which the two phosphino-fragments were linked by butylene group, RuCl3  ⋅ 3H2 O with advantages of low cost, robustness, and good availability was found to be an efficient and recyclable catalyst for the alkoxycarbonylation of aryl halides...
February 2019: ChemistryOpen
Vít Herynek, Karolína Turnovcová, Andrea Gálisová, Ondřej Kaman, Dana Mareková, Jakub Koktan, Magda Vosmanská, Lucie Kosinová, Pavla Jendelová
Manganese-zinc ferrite nanoparticles were synthesized by using a hydrothermal treatment, coated with silica, and then tested as efficient cellular labels for cell tracking, using magnetic resonance imaging (MRI) in vivo. A toxicity study was performed on rat mesenchymal stem cells and C6 glioblastoma cells. Adverse effects on viability and cell proliferation were observed at the highest concentration (0.55 mM) only; cell viability was not compromised at lower concentrations. Nanoparticle internalization was confirmed by transmission electron microscopy...
February 2019: ChemistryOpen
Marco Dalla Tiezza, F Matthias Bickelhaupt, Laura Orian
Half-sandwich RhI compounds display good catalytic activity toward alkyne [2+2+2] cycloadditions. A peculiar structural feature of these catalysts is the coordination of the metal to an aromatic moiety, typically a cyclopentadienyl anion, and, in particular, the possibility to change the bonding mode easily by the metal slipping over this aromatic moiety. Upon modifying the ancillary ligands, or proceeding along the catalytic cycle, hapticity changes can be observed; it varies from η5 , if the five metal-carbon distances are identical, through η3 +η2 , in the presence of allylic distortion, and η3 , in the case of allylic coordination, to η1 , if a σ metal-carbon bond forms...
February 2019: ChemistryOpen
Andre Nicolai Petelski, Célia Fonseca Guerra
In supramolecular chemistry, the rational design of self-assembled systems remains a challenge. Herein, hydrogen-bonded rosettes of melamine and ammeline have been theoretically examined by using dispersion-corrected density functional theory (DFT-D). Our bonding analyses, based on quantitative Kohn-Sham molecular orbital theory and corresponding energy decomposition analyses (EDA), show that ammeline is a much better building block than melamine for the fabrication of cyclic complexes based on hydrogen bonds...
February 2019: ChemistryOpen
André Nicolai Petelski, Célia Fonseca Guerra
Invited for this month's cover picture are Professor Célia Fonseca Guerra from Vrije Universiteit Amsterdam and Leiden University (The Netherlands) and André Nicolai Petelski from UTN-FRRe University of Argentine (Argentina). The cover picture shows a colored pallet of melamine and ammeline tautomers that form hydrogen-bonded hexameric rosettes. When it comes to self-assembling capabilities, one of the ammeline structures (red) is shown to be distinctly superior to melamine, both in the gas phase and in water...
February 2019: ChemistryOpen
Ying Fu, Qin-Shan Xu, Quan-Zhou Li, Ming-Peng Li, Chun-Zhao Shi, Zhengyin Du
A novel charge-transfer complex triggered sulfonylation of 1,4-diazabicyclo[2.2.2]octane (DABCO) with mild reaction conditions has been developed. The formation of a charge-transfer complex between electron-withdrawing (hetero)aryl sulfonyl chloride and DABCO allows the synthesis of N -ethylated piperazine sulfonamide in good yields. The reaction has a high functional group tolerance. Spectroscopic studies confirmed the charge-transfer complex formation between sulfonyl chlorides and DABCO, which facilitates the C-N bond cleavage of DABCO...
January 2019: ChemistryOpen
Mario Pagliaro
Mario Pagliaro is a chemistry and energy scholar at Italy's Research Council based in Palermo (Italy). The research of his group focuses on the broad areas of nanochemistry, solar energy, and bioeconomy, which has been developed in co-operation with leading researchers in Italy and abroad. He was appointed Fellow by the Royal Society of Chemistry in 2014, and has been President of Palermo's public energy utility. In 2008, he co-founded Sicily's Solar Pole, working towards the Institute of Solar Energy and Bioeconomy at Italy's CNR...
January 2019: ChemistryOpen
Rebecka Isaksson, Jens Lindman, Johan Wannberg, Jessica Sallander, Maria Backlund, Dhaniel Baraldi, Robert Widdop, Mathias Hallberg, Johan Åqvist, Hugo Gutierrez de Teran, Johan Gising, Mats Larhed
We here report on our continued studies of ligands binding to the promising drug target angiotensin II type 2 receptor (AT2 R). Two series of compounds were synthesized and investigated. The first series explored the effects of adding small substituents to the phenyl ring of the known selective nonpeptide AT2 R antagonist C38 , generating small but significant shifts in AT2 R affinity. One compound in the first series was equipotent to C38 and showed similar kinetic solubility, and stability in both human and mouse liver microsomes...
January 2019: ChemistryOpen
Halina Szatylowicz, Mateusz A Domanski, Tadeusz M Krygowski
The substituent effect in 1-, 2-, and 9-anthrols is studied by means of B3LYP/6-311++G(d,p) computation, taking into account substituents (X): NO2 , CN, OH and NH2 located in all positions except the adjacent ones. The substituent effect is characterized by approaches based on quantum chemistry: The charge of the substituent active region (cSAR), substituent effect stabilization energy (SESE) and the charge flow index (CFI) describing flow of the charge from X to the fixed group (or vice versa) as well as substituent constants σ ...
January 2019: ChemistryOpen
Lin-Qiang Mo, Xian-Fei Huang, Guan Huang, Guang-Ping Yuan, Su-Juan Wei
We aimed at elevating catalytic performances of cobalt tetrakis(pentafluorophenyl)porphyrin (Co TPFPP) through axial coordination, nanocavities, and covalently grafting action. The Co TPFPP was immobilized onto nanoporous and nonporous chitosan, forming Co TPFPP/np- and nonp-CTS catalysts, respectively. The catalysts were characterized by various spectroscopic techniques. The catalytic performances of these catalysts for cyclohexane oxidation under response-surface-methodology-optimized oxidation reaction conditions were estimated and compared...
January 2019: ChemistryOpen
Remi Roche, Fatma Yalcinkaya
Novel electrospun polyacrylonitrile (PAN) nanofibrous membranes were prepared by using heat-press lamination under various conditions. The air permeability and the burst-pressure tests were run to select the membranes for point-of-use air and water cleaning. Membrane characterization was performed by using scanning electron microscopy, contact angle, and average pore size measurements. Selected membranes were used for both air dust filtration and cross-flow water filtration tests. Air dust filter results indicated that electrospun PAN nanofibrous membranes showed very high air-dust filtration efficiency of more than 99...
January 2019: ChemistryOpen
Chunshan Lu, Xuejie Zhang, Yani Qi, Haoke Ji, Qianwen Zhu, Hao Wang, Yebin Zhou, Zhenlong Feng, Xiaonian Li
A nitrogen-carbon framework with the thickness of several molecules was fabricated through a straightforward nitrogen-doping strategy, in which specially designed surface-oxygen-containing groups (SOGs) first introduced onto the porous carbon support were used to guide the generation of a surface-nitrogen-containing structure through condensation reactions between SOGs and the amidogen group of organic amines under hydrothermal conditions. The results indicate that different kinds of SOGs generate different types and abundances of N species...
January 2019: ChemistryOpen
Bahareh Shirinfar, Nisar Ahmed
A new synthetic receptor has selective and strong interactions with glucose, directing towards future diabetes management. These studies pave the way to design future selective receptors that can potentially be modified with combinations of urea walls having multiple H-binding sites to generate hydrophilic affinities, and the incorporation of promising aromatic systems for hydrophobic π-interactions with glucose CH.
January 2019: ChemistryOpen
Ralf Albrecht, Jens Hunger, Theresa Block, Rainer Pöttgen, Anatoliy Senyshyn, Thomas Doert, Michael Ruck
The reaction of Fe(NO3 )3 ⋅9 H2 O with KOH under hydroflux conditions at about 200 °C produces red crystals of K2- x Fe4 O7- x (OH) x in a quantitative yield. In the crystal structure, edge-sharing [FeO6 ] octahedra form <mml:math xmlns:mml=""> <mml:mrow> <mml:msub> <mml:mrow/> <mml:mi>∞</mml:mi> </mml:msub> <mml:msup> <mml:mrow/> <mml:mn>2</mml:mn> </mml:msup> <mml:mrow> <mml:mo>[</mml:mo> </mml:mrow> </mml:mrow> </mml:math> Fe2 O6 ] honeycomb nets...
January 2019: ChemistryOpen
Shujing Chen, Abdelhafid Zehri, Qianlong Wang, Guangjie Yuan, Xiaohua Liu, Nan Wang, Johan Liu
Functional fillers, such as Ag, are commonly employed for effectively improving the thermal or electrical conductivity in polymer composites. However, a disadvantage of such a strategy is that the cost and performance cannot be balanced simultaneously. Therefore, the drive to find a material with both a cost efficient fabrication process and excellent performance attracts intense research interest. In this work, inspired by the core-shell structure, we developed a facile manufacturing method to prepare graphene-encapsulated Cu nanoparticles (GCPs) through utilizing an improved chemical vapor deposition (CVD) system with a cold wall reactor...
January 2019: ChemistryOpen
Olatz Larrañaga, Abel de Cózar
A detailed computational study of the Diels-Alder reaction of cyclopentadiene with acrylonitrile, methylacrylate and their α-methylated counterparts methacrylonitrile and methyl methacrylate at the M06-2X(PCM)/TZVP level of theory has been performed. We want to understand the excellent exo -selectivities observed experimentally due the presence of this substituent. To this end, analysis of the reaction coordinate by means of activation strain model of chemical reactivity (ASM-distortion interaction model) including solvation effects and NBO second order perturbation energy have been carried out...
January 2019: ChemistryOpen
Liang Xia, Tao Peng, Gang Wang, Xiaoxue Wen, Shouguo Zhang, Lin Wang
Three new types of heterogeneous catalysts were prepared using a facile approach by the immobilization of Grubbs catalysts on PEGylated Merrifield resin. One of the immobilized catalysts was more efficient than the free catalyst for the metathesis of leaf alcohols in conversion and selectivity and was reused repeatedly (up to 5 cycles) with only a slight loss of activity (10.5 %). The long-chain PEGylated linker provided an appropriate distance between the resin and the catalytic center so that the ruthenium catalysts acted as the free catalyst...
January 2019: ChemistryOpen
Abdrrahman S Surur, Kristin Beirow, Christian Bock, Lukas Schulig, Markus K Kindermann, Anja Bodtke, Werner Siegmund, Patrick J Bednarski, Andreas Link
Neuronal voltage-gated potassium channels KV 7.2/KV 7.3 are sensitive to small-molecule drugs such as flupirtine, even though physiological response occurs in the absence of ligands. Clinically, prolonged use of flupirtine as a pain medication is associated with rare cases of drug-induced liver injury. Thus, safety concerns prevent a broader use of this non-opioid and non-steroidal analgesic in therapeutic areas with unmet medical needs such as hyperactive bladder or neonatal seizures. With the goal of studying influences of chemical structure on activity and toxicity of flupirtine, we explored modifications of the benzylamino bridge and the substitution pattern in both rings of flupirtine...
January 2019: ChemistryOpen
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