Search results for "Shield"
showing 10 items of 177 documents
Comment on “An early Late Triassic long-necked reptile with a bony pectoral shield and gracile appendages” by Jerzy Dzik and Tomasz Sulej
2017
Comment on “An early Late Triassic long-necked reptile with a bony pectoral shield and gracile appendages” by Jerzy Dzik and Tomasz Sulej
Petrology of mafic lavas within the Onega plateau, central Karelia: evidence for 2.0 Ga plume-related continental crustal growth in the Baltic Shield
1998
The Onega plateau constitutes part of a vast continental flood basalt province in the SE Baltic Shield. It consists of Jatulian-Ludikovian submarine volcanic, volcaniclastic and sedimentary sequences attaining in places 4.5 km in thickness. The parental magmas of the lavas contained ∼10% MgO and were derived from melts generated in the garnet stability field at depths 80–100 km. The Sm-Nd mineral and Pb-Pb whole-rock isochron ages of 1975 ± 24 and 1980 ± 57 Ma for the upper part of the plateau and a SHRIMP U-Pb zircon age of 1976 ± 9 Ma for its lower part imply the formation of the entire sequence within a short time span. These ages coincide with those of picrites in the Pechenga-Imandra b…
Neoproterozoic Ophiolites of the Arabian-Nubian Shield
2004
Publisher Summary Ophiolites of mid-Neoproterozoic age are abundant in the Arabian-Nubian Shield (ANS) of NE Africa and Arabia. The ANS ophiolitic mantle was mostly harzburgitic, containing magnesian olivines and spinels that have compositions consistent with extensive melting. Cumulate ultramafics transition upwards into layered gabbro. Several crystallization sequences are inferred from ANS transition zones and cumulate gabbro sections. In all samples studied, olivine and spinel crystallized first, followed by cpx-plag, cpxopx-plag, and opx-cpx-plag. The ANS in NE Africa and W. Arabia is the largest tract of juvenile continental crust of Neoproterozoic age on Earth. The best preserved oph…
Estimation of isotropic nuclear magnetic shieldings in the CCSD(T) and MP2 complete basis set limit using affordable correlation calculations
2013
A linear correlation between isotropic nuclear magnetic shielding constants for seven model molecules (CH2O, H2O, HF, F2, HCN, SiH4 and H2S) calculated with 37 methods (34 density functionals, RHF, MP2 and CCSD(T)), with affordable pcS-2 basis set and corresponding complete basis set results, estimated from calculations with the family of polarization-consistent pcS-n basis sets is reported. This dependence was also supported by inspection of profiles of deviation between CBS estimated nuclear shieldings and shieldings obtained with the significantly smaller basis sets pcS-2 and aug-cc-pVTZ-J for the selected set of 37 calculation methods. It was possible to formulate a practical approach o…
Efficient Shielding of Polyplexes Using Heterotelechelic Polysarcosines
2018
Shielding agents are commonly used to shield polyelectrolyte complexes, e.g. polyplexes, from agglomeration, precipitation in complex media, like blood, and thus enhance their circulation times in vivo. Since up to now primarily poly(ethylene glycol) (PEG) has been investigated to shield non-viral carriers for systemic delivery, we report on the use of polysarcosine (pSar) as a potential alternative for steric stabilization. A redox-sensitive, cationizable lipo-oligomer structure (containing two cholanic acids attached via a bioreducible disulfide linker to an oligoaminoamide backbone in T-shape configuration) was equipped with azide-functionality by solid phase supported synthesis. After m…
Orbital Decomposition of the Carbon Chemical Shielding Tensor in Gold(I) N-Heterocyclic Carbene Complexes.
2020
The good performance of N‐heterocyclic carbenes (NHCs), in terms of versatility and selectivity, has called the attention of experimentalists and theoreticians attempting to understand their electronic properties. Analyses of the Au(I)–C bond in [(NHC)AuL]+/0 (L stands for a neutral or negatively charged ligand), through the Dewar–Chatt–Duncanson model and the charge displacement function, have revealed that NHC is not purely a σ‐donor but may have a significant π‐acceptor character. It turns out, however, that only the σ‐donation bonding component strongly correlates with one specific component of the chemical shielding tensor. Here, in extension to earlier works, a current density analysi…
Chemical Reaction Monitoring Using Zero-Field Nuclear Magnetic Resonance Enables Study of Heterogeneous Samples in Metal Containers
2020
Abstract We demonstrate that heterogeneous/biphasic chemical reactions can be monitored with high spectroscopic resolution using zero‐field nuclear magnetic resonance spectroscopy. This is possible because magnetic susceptibility broadening is negligible at ultralow magnetic fields. We show the two‐step hydrogenation of dimethyl acetylenedicarboxylate with para‐enriched hydrogen gas in conventional glass NMR tubes, as well as in a titanium tube. The low frequency zero‐field NMR signals ensure that there is no significant signal attenuation arising from shielding by the electrically conductive sample container. This method paves the way for in situ monitoring of reactions in complex heteroge…
Structure, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. IV. Dihydrophospholophosphole isomers
2005
The geometry of the heteropentalenes formed by two phosphole units has been determined at the DFT level. The magnetic susceptibility and the nuclear magnetic shielding at the nuclei of these systems have also been calculated using gauge-including atomic orbitals and a large Gaussian basis set to achieve near Hartree-Fock estimates. A comparative study of the various isomers, of their flattened analogs, and of the parent phosphole molecule, shows that the [3,4-c] isomer is the most aromatic system in the set considered, assuming diatropicity and degree of planarity as indicators, even if it is the less stable in terms of total molecular energy. Plots of magnetic field-induced current densiti…
Status of the EU DEMO HCLL breeding blanket design development
2018
International audience; In the framework of the European “HORIZON 2020” innovation and research programme, the EUROfusion Consortium develops a design of a fusion power demonstrator (DEMO). One of the key components in the fusion reactor is the Breeding Blanket (BB) surrounding the plasma, ensuring tritium self-sufficiency, heat removal for conversion into electricity, and neutron shielding. CEA-Saclay, with the support of Wigner-RCP and Centrum výzkumu Řež, is in charge of the development of one of the four BB concepts investigated in Europe for DEMO: the Helium Cooled Lithium Lead (HCLL) BB. The rationales of the HCLL are the use of Eurofer as structural material, eutectic liquid lithium-…
Current density maps, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. III. Thieno-thiophene isomers
2005
Near Hartree–Fock values of the magnetic susceptibility and nuclear magnetic shielding of bis-heteropentalenes consisting of two thiophene units ([2,3-b], [3,2-b], [3,4-b], and [3,4-c] isomers) have been estimated via computational schemes relying on continuous transformation of the origin of the current density within the coupled Hartree–Fock approximation and extended gaugeless Gaussian basis sets. The results are compared with those obtained via London gauge-including orbitals. Maps of streamlines and the modulus of the ring current density induced by a magnetic field normal to the molecular plane are reported for the three isomers of higher symmetry, showing that the intense diamagnetic…