scholarly journals Unexpected benzene oxidation in collisions with superoxide anions

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Carlos Guerra ◽  
Sarvesh Kumar ◽  
Fernando Aguilar-Galindo ◽  
Sergio Díaz-Tendero ◽  
Ana I. Lozano ◽  
...  
Keyword(s):  
High Energy ◽  
Benzene Oxidation ◽  
Superoxide Anions ◽  
Complex Molecules ◽  
Form Complex ◽  
Covalently Bonded ◽  
Quantum Chemistry Calculations ◽  
Anion Form ◽  
Impact Energies ◽  
First Time

AbstractSuperoxide anions colliding with benzene molecules at impact energies from 200 to 900 eV are reported for the first time to form massive complexes. With the aid of quantum chemistry calculations, we propose a mechanism in which a sudden double ionization of benzene and the subsequent electrostatic attraction between the dication and the anion form a stable covalently bonded C6H6O2+ molecule, that evolves towards the formation of benzene-diol conformers. These findings lend support to a model presenting a new high energy anion-driven chemistry as an alternative way to form complex molecules.

scholarly journals Mechanochemical Synthesis and Nitrogenation of the Nd1.1Fe10CoTi Alloy for Permanent Magnet

Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 3854
Author(s):  
Hugo Martínez Sánchez ◽  
George Hadjipanayis ◽  
Germán Antonio Pérez Alcázar ◽  
Ligia Edith Zamora Alfonso ◽  
Juan Sebastián Trujillo Hernández
Keyword(s):  
Mechanochemical Synthesis ◽  
Applied Field ◽  
Volume Fraction ◽  
Synthesis Method ◽  
High Energy ◽  
Direction Parallel ◽  
Best Value ◽  
Heat Treated ◽  
Bcc Phase ◽  
First Time

In this work, the mechanochemical synthesis method was used for the first time to produce powders of the nanocrystalline Nd1.1Fe10CoTi compound from Nd2O3, Fe2O3, Co and TiO2. High-energy-milled powders were heat treated at 1000 °C for 10 min to obtain the ThMn12-type structure. Volume fraction of the 1:12 phase was found to be as high as 95.7% with 4.3% of a bcc phase also present. The nitrogenation process of the sample was carried out at 350 °C during 3, 6, 9 and 12 h using a static pressure of 80 kPa of N2. The magnetic properties Mr, µ0Hc, and (BH)max were enhanced after nitrogenation, despite finding some residual nitrogen-free 1:12 phase. The magnetic values of a nitrogenated sample after 3 h were Mr = 75 Am2 kg–1, µ0Hc = 0.500 T and (BH)max = 58 kJ·m–3. Samples were aligned under an applied field of 2 T after washing and were measured in a direction parallel to the applied field. The best value of (BH)max~114 kJ·m–3 was obtained for 3 h and the highest µ0Hc = 0.518 T for 6 h nitrogenation. SEM characterization revealed that the particles have a mean particle size around 360 nm and a rounded shape.

scholarly journals Insights on forming N,O-coordinated Cu single-atom catalysts for electrochemical reduction CO2 to methane

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Yanming Cai ◽  
Jiaju Fu ◽  
Yang Zhou ◽  
Yu-Chung Chang ◽  
Qianhao Min ◽  
...  
Keyword(s):  
Energy Barrier ◽  
Active Sites ◽  
Theoretical Calculations ◽  
High Energy ◽  
Single Atom ◽  
Faradaic Efficiency ◽  
High Energy Barrier ◽  
Catalytic Sites ◽  
Electron Reduction ◽  
First Time

AbstractSingle-atom catalysts (SACs) are promising candidates to catalyze electrochemical CO2 reduction (ECR) due to maximized atomic utilization. However, products are usually limited to CO instead of hydrocarbons or oxygenates due to unfavorable high energy barrier for further electron transfer on synthesized single atom catalytic sites. Here we report a novel partial-carbonization strategy to modify the electronic structures of center atoms on SACs for lowering the overall endothermic energy of key intermediates. A carbon-dots-based SAC margined with unique CuN2O2 sites was synthesized for the first time. The introduction of oxygen ligands brings remarkably high Faradaic efficiency (78%) and selectivity (99% of ECR products) for electrochemical converting CO2 to CH4 with current density of 40 mA·cm-2 in aqueous electrolytes, surpassing most reported SACs which stop at two-electron reduction. Theoretical calculations further revealed that the high selectivity and activity on CuN2O2 active sites are due to the proper elevated CH4 and H2 energy barrier and fine-tuned electronic structure of Cu active sites.

scholarly journals A High Capacity, Room Temperature, Hybrid Flow Battery Consisting of Liquid Na-Cs Anode and Aqueous NaI Catholyte

Batteries ◽  
2018 ◽  
Vol 4 (4) ◽  
pp. 60 ◽  
Author(s):  
Caihong Liu ◽  
Leon Shaw
Keyword(s):  
Room Temperature ◽  
Electrochemical Impedance ◽  
Coulombic Efficiency ◽  
High Capacity ◽  
High Energy ◽  
Flow Battery ◽  
Membrane Interfaces ◽  
Number Of Cycles ◽  
Novel Concept ◽  
First Time

In this study, we have proposed a novel concept of hybrid flow batteries consisting of a molten Na-Cs anode and an aqueous NaI catholyte separated by a NaSICON membrane. A number of carbonaceous electrodes are studied using cyclic voltammetry (CV) for their potentials as the positive electrode of the aqueous NaI catholyte. The charge transfer impedance, interfacial impedance and NaSICON membrane impedance of the Na-Cs ‖ NaI hybrid flow battery are analyzed using electrochemical impedance spectroscopy. The performance of the Na-Cs ‖ NaI hybrid flow battery is evaluated through galvanostatic charge/discharge cycles. This study demonstrates, for the first time, the feasibility of the Na-Cs ‖ NaI hybrid flow battery and shows that the Na-Cs ‖ NaI hybrid flow battery has the potential to achieve the following properties simultaneously: (i) An aqueous NaI catholyte with good cycle stability, (ii) a durable and low impedance NaSICON membrane for a large number of cycles, (iii) stable interfaces at both anode/membrane and cathode/membrane interfaces, (iv) a molten Na-Cs anode capable of repeated Na plating and stripping, and (v) a flow battery with high Coulombic efficiency, high voltaic efficiency, and high energy efficiency.

On sinterability of nanostructured W produced by high-energy ball milling

2007 ◽  
Vol 22 (5) ◽  
pp. 1200-1206 ◽  
Author(s):  
R. Malewar ◽  
K.S. Kumar ◽  
B.S. Murty ◽  
B. Sarma ◽  
S.K. Pabi
Keyword(s):  
Sintered Density ◽  
Sintering Temperature ◽  
High Energy ◽  
Deformation Bands ◽  
Dramatic Decrease ◽  
Powder Charge ◽  
Grinding Media ◽  
Energy Ball ◽  
High Level ◽  
First Time

The present investigation reports for the first time a dramatic decrease in the sintering temperature of elemental W from the conventional temperature of ≥2500 °C to the modest temperature range of 1700–1790 °C by making the W powder nanostructured through high-energy mechanical milling (MM) prior to sintering. The crystallite size of the initial W powder charge with a particle size of 3–4 μm could be brought down to 8 nm by MM for 5 h in WC grinding media. Further milling resulted in a high level of WC contamination, which apparently was due to work hardening and the grain refinement of W. A sintered density as high as 97.4% was achieved by sintering cold, isostatically pressed nanocrystalline (8 nm) W powder at 1790 °C for 900 min. The microstructure of the sintered rods showed the presence of deformation bands, but no cracks, within a large number of W grains. The mechanical properties, when compared with the hardness and elastic modulus, of the sintered nano-W specimen were somewhat superior to those reported for the conventional sintered W.

scholarly journals Intermolecular 3+3 Ring Expansion of Aziridines to Dehydropiperidines through the Intermediacy of Aziridinium Ylides

2019 ◽  
Author(s):  
Jennifer Schomaker ◽  
Josephine Eshon ◽  
Kate A. Nicastri ◽  
Steven C. Schmid ◽  
William T. Raskopf ◽  
...  
Keyword(s):  
Natural Product ◽  
Functional Group ◽  
Ring Expansion ◽  
Sigmatropic Rearrangement ◽  
Reactive Intermediate ◽  
Mechanistic Studies ◽  
Reaction Conditions ◽  
Complex Molecules ◽  
Form Complex ◽  
Reaction Proceeds

Bicyclic aziridines undergo formal [3+3] ring expansion reactions when exposed to rhodium-bound vinyl carbenes to form complex dehydropiperidines in a highly stereocontrolled rearrangement. Mechanistic studies and DFT computations indicate the reaction proceeds through the formation of a vinyl aziridinium ylide; this reactive intermediate undergoes a concerted, asynchronous, pseudo-[1,4]- sigmatropic rearrangement to directly furnish the heterocyclic products with net retention at the new C-C bond. In combination with an asymmetric silver-catalyzed aziridination developed in our group, this method quickly delivers enantioenriched scaffolds with up to three contiguous stereocenters. The mild reaction conditions, functional group tolerance, and high stereochemical retention of this method are especially well-suited for appending piperidine motifs to natural product and complex molecules. Ultimately, our work establishes the value of underutilized aziridinium ylides as key intermediates in strategies to convert small, strained rings to larger N-heterocycles.

scholarly journals The growth of interest for astronomical X-ray polarimetry

2018 ◽  
Author(s):  
Frédéric Marin
Keyword(s):  
Quantitative Assessment ◽  
Supernova Remnant ◽  
Scientific Literature ◽  
High Energy ◽  
X Ray ◽  
Highly Sensitive ◽  
In The Beginning ◽  
First Time

Astronomical X-ray polarimetry was first explored in the end of the 60's by pioneering rocket instruments. The craze arising from the first discoveries on stellar and supernova remnant X-ray polarization led to the addition of X-ray polarimeters on-board of early satellites. Unfortunately, the inadequacy of the diffraction and scattering technologies required to measure polarization with respect to the constraints driven by X-ray mirrors and detectors, coupled to long integration times, slowed down the field for almost 40 years. Thanks to the development of new, highly sensitive, compact X-ray polarimeters in the beginning of the 2000's, the possibility to observe astronomical X-ray polarization is rising again and scientists are now ready to explore the high energy sky thanks to modern X-ray polarimeters. In the forthcoming years, several X-ray missions (both rockets, balloons and satellites) will open a new observational windows. A wind of renewal blows over the area of X-ray polarimetry and this paper presents for the first time a quantitative assessment, all based on scientific literature, of the growth of interest for astronomical X-ray polarimetry.

scholarly journals A global view of the off-shell Higgs portal

2020 ◽  
Vol 8 (2) ◽  
Author(s):  
Maximilian Ruhdorfer ◽  
Ennio Salvioni ◽  
Andreas Weiler
Keyword(s):  
Dark Matter ◽  
Standard Model ◽  
Vector Boson ◽  
Effective Interaction ◽  
Goldstone Boson ◽  
High Energy ◽  
Beyond The Standard Model ◽  
The Standard Model ◽  
Higgs Portal ◽  
First Time

We study for the first time the collider reach on the derivative Higgs portal, the leading effective interaction that couples a pseudo Nambu-Goldstone boson (pNGB) scalar Dark Matter to the Standard Model. We focus on Dark Matter pair production through an off-shell Higgs boson, which is analyzed in the vector boson fusion channel. A variety of future high-energy lepton colliders as well as hadron colliders are considered, including CLIC, a muon collider, the High-Luminosity and High-Energy versions of the LHC, and FCC-hh. Implications on the parameter space of pNGB Dark Matter are discussed. In addition, we give improved and extended results for the collider reach on the marginal Higgs portal, under the assumption that the new scalars escape the detector, as motivated by a variety of beyond the Standard Model scenarios.

scholarly journals Natural Clovanes from the Gorgonian Coral Rumphella Antipathies

2013 ◽  
Vol 8 (8) ◽  
pp. 1934578X1300800 ◽  
Author(s):  
Hsu-Ming Chung ◽  
Wei-Hsien Wang ◽  
Tsong-Long Hwang ◽  
Yang-Chang Wu ◽  
Ping-Jyun Sung
Keyword(s):  
Spectral Data ◽  
Natural Source ◽  
Human Neutrophils ◽  
Spectroscopic Methods ◽  
Superoxide Anions ◽  
Inhibitory Effects ◽  
Gorgonian Coral ◽  
First Time

Three natural clovane-related sesquiterpenoids, 2β-acetoxyclovan-9α-ol (1), 9α-acetoxyclovan-2β-ol (2) and clovan-2β,9β-diol (3), were isolated from the gorgonian coral Rumphella antipathies. The structures of clovanes 1–3 were elucidated by spectroscopic methods and by comparison of the spectral data with those of known clovane analogues. This is the first time that clovanes 1–3 have been isolated from a natural source. Clovanes 1 and 2 displayed inhibitory effects on the generation of superoxide anions and the release of elastase by human neutrophils.

scholarly journals Magnetic Properties of SmCo5 + 10 wt% Fe Exchange-Coupled Nanocomposites Produced from Recycled SmCo5

Nanomaterials ◽  
2020 ◽  
Vol 10 (7) ◽  
pp. 1308 ◽  
Author(s):  
Arnab Chakraborty ◽  
Răzvan Hirian ◽  
Gregor Kapun ◽  
Viorel Pop
Keyword(s):  
Heat Treatment ◽  
Exchange Coupling ◽  
Permanent Magnets ◽  
High Energy ◽  
Raw Material ◽  
Energy Ball ◽  
Hydrogen Decrepitation ◽  
Energy Products ◽  
First Time ◽  
Recycled Material

Nanostructured alloy powders of SmCo5 + 10 wt% Fe obtained using recycled material were studied for the first time. The SmCo5 precursor was obtained from commercial magnets recycled by hydrogen decrepitation. The results were compared with identically processed samples obtained using virgin SmCo5 raw material. The samples were synthesized by dry high-energy ball-milling and subsequent heat treatment. Robust soft/hard exchange coupling was observed—with large coercivity, which is essential for commercial permanent magnets. The obtained energy products for the recycled material fall between 80% and 95% of those obtained when using virgin SmCo5, depending on milling and annealing times. These results further offer viability of recycling and sustainability in production. These powders and processes are therefore candidates for the next generation of specialized and nanostructured exchange-coupled bulk industrial magnets.

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