Search results for " hydrogen"
showing 10 items of 319 documents
According to the CPLL proteome sheriffs, not all aperitifs are created equal!
2014
Combinatorial peptide ligand libraries (CPLLs) have been adopted for investigating the proteome of a popular aperitif in Northern Italy, called "Amaro Branzi", stated to be an infusion of a secret herbal mixture, of which some ingredients are declared on the label, namely Angelica officinalis, Gentiana lutea and orange peel, sweetened by a final addition of honey. In order to assess the genuineness of this commercial liqueur, we have prepared extracts of the three vegetable ingredients, assessed their proteomes, and compared them to the one found in the aperitif. The amaro's proteome was identified via prior capture with CPLLs at two different pH values (2.2 and 4.8). Via mass spectrometry …
The ins and outs of proton complexation
2009
Proton complexation differs from simple protonation by the fact that the coordinated hydrogen atom is bound intramolecularly to more than one donor atom. This is usually achieved by covalent bonding supplemented by hydrogen bonding. In a few cases, however, the complexed proton is hydrogen-bound to all donor atoms, which gives rise to single well (SWHB) and low barrier (LBHB) hydrogen bonds. This tutorial review highlights a full range of proton complexes formed with chelating and "proton-sponge"-type ligands, cryptand-like macropolycycles, and molecules of topological relevance, such as rotaxanes and catenanes. The concept of proton complexation can explain how the smallest cation possible…
Method for size optimisation of large wind–hydrogen systems with high penetration on power grids
2013
Wind power generation is growing rapidly in many locations around the world. Power systems are able to absorb large amounts of wind capacity, but operational problems arise when the wind power penetration becomes high. Such factors as voltage dips, frequency variations, low power system stability, low reactive power and power flow imbalances reduce the economic value and represent a barrier to the unlimited development of wind energy. Hydrogen production from wind power that is not matched with hourly electricity demand appears to be an attractive storage option capable of providing a balancing service to the electricity generators and suppliers for mitigation of the negative impacts due to…
ChemInform Abstract: The Ins and Outs of Proton Complexation
2009
Proton complexation differs from simple protonation by the fact that the coordinated hydrogen atom is bound intramolecularly to more than one donor atom. This is usually achieved by covalent bonding supplemented by hydrogen bonding. In a few cases, however, the complexed proton is hydrogen-bound to all donor atoms, which gives rise to single well (SWHB) and low barrier (LBHB) hydrogen bonds. This tutorial review highlights a full range of proton complexes formed with chelating and “proton-sponge”-type ligands, cryptand-like macropolycycles, and molecules of topological relevance, such as rotaxanes and catenanes. The concept of proton complexation can explain how the smallest cation possible…
Metal-Insulator Transition of Solid Hydrogen by the Antisymmetric Shadow Wave Function
2016
We revisit the pressure-induced metal-insulator-transition of solid hydrogen by means of variational quantum Monte Carlo simulations based on the antisymmetric shadow wave function. In order to facilitate studying the electronic structure of large-scale fermionic systems, the shadow wave function formalism is extended by a series of technical improvements, such as a revised optimization method for the employed shadow wave function and an enhanced treatment of periodic systems with long-range interactions. It is found that the superior accuracy of the antisymmetric shadow wave function results in a significantly increased transition pressure.
Radiation and Hydrogen-Loading effects on Raman fiber-based temperature sensors
2013
We present experimental studies on how Raman based temperature sensors undergone two different treatments: gamma-radiation and H-loading. Unfortunately, gamma radiation and hydrogen release in harsh nuclear environment can affect the temperature measurements based on this technology of sensor, limiting the sensor performances. Moreover, the Raman device response in both cases changes with the different classes of multimode fibers that are used by the engineers.
Hydrogen-bonded liquid crystals with broad-range blue phases
2019
We report a modular supramolecular approach for the investigation of chirality induction in hydrogen-bonded liquid crystals. An exceptionally broad blue phase with a temperature range of 25 °C was found, which enabled its structural investigation by solid state 19F-NMR studies and allowed us to report order parameters of the blue phase I for the first time.
Forecasts on the development of hydrogen refuelling infrastructures in Portugal
2021
In Portugal, the transition to new forms of mobility has begun in recent years, but there are still obstacles to overcome. Currently, hybrid vehicles (PHEVs) are the most widespread and accepted by the community and that is probably due to range anxiety, having in fact the possibility of double charging (both through the thermal engine and the electric battery). Furthermore, it must be considered that in addition to electric vehicles, another valid alternative to mobility in the near future is the hydrogen vehicles one. These appear to be even more sustainable from the point of view of air emissions, but on the other hand the costs for the production of hydrogen are still too high. Then, th…
Shape-Dependence of Pd Nanocrystal Carburization during Acetylene Hydrogenation
2015
This interdisciplinary work combines the use of shape- and size-defined Pd nanocrystals (cubes of 10 and 18 nm, and octahedra of 37 nm) with in situ techniques and DFT calculations to unravel the dynamic phenomena with respect to Pd reconstruction taking place during acetylene hydrogenation. Notably, it was found that the reacting Pd surface evolved at a different pace depending on the shape of the Pd nanocrystals, due to their specific propensity to form carbides under reaction conditions. Indeed, Pd cubes (Pd(100)) reacted with acetylene to form a PdC0.13 phase at a rate roughly 6-fold higher than that of octahedra (Pd(111)), resulting in nanocrystals with different degrees of carburizati…
From CO2 to dimethyl carbonate with dialkyldimethoxystannanes: the key role of monomeric species.
2011
International audience; The formation of dimethyl carbonate (DMC) from CO(2) and methanol with the dimer [n-Bu(2)Sn(OCH(3))(2)](2) was investigated by experimental kinetics in support of DFT calculations. Under the reaction conditions (357-423 K, 10-20 MPa), identical initial rates are observed with three different reacting mixtures, CO(2)/toluene, supercritical CO(2), and CO(2)/methanol, and are consistent with the formation of monomeric di-n-butyltin(iv) species. An intramolecular mechanism is, therefore, proposed with an Arrhenius activation energy amounting to 104 ± 10 kJ mol(-1) for DMC synthesis. DFT calculations on the [(CH(3))(2)Sn(OCH(3))(2)](2)/CO(2) system show that the exothermi…