Search results for "magnetic [charge]"
showing 10 items of 6136 documents
Four-Component Relativistic DFT Calculations of C-13 Chemical Shifts of Halogenated Natural Substances
2015
We have calculated the (13) C NMR chemical shifts of a large ensemble of halogenated organic molecules (81 molecules for a total of 250 experimental (13) C NMR data at four different levels of theory), ranging from small rigid organic compounds, used to benchmark the performance of various levels of theory, to natural substances of marine origin with conformational degrees of freedom. Carbon atoms bonded to heavy halogen atoms, particularly bromine and iodine, are known to be rather challenging when it comes to the prediction of their chemical shifts by quantum methods, due to relativistic effects. In this paper, we have applied the state-of-the-art four-component relativistic density funct…
Transcranial Magnetic Stimulation and Neuroimaging Coregistration
2013
The development of neuroimaging techniques is one of the most impressive advancements in neuroscience. The main reason for the widespread use of these instruments lies in their capacity to provide an accurate description of neural activity during a cognitive process or during rest. This important advancement is related to the possibility to selectively detect changes of neuronal activity in space and time by means of different biological markers. Specifically, functional magnetic resonance imaging (fMRI), positron emission tomography (PET), single-photon emission computed tomography (SPECT), and nearinfrared spectroscopy (NIRS) use metabolic markers of ongoing neuronal activity to provide a…
Search for Gravitational Waves Associated with Gamma-Ray Bursts Detected by Fermi and Swift during the LIGO-Virgo Run O3a
2022
Abbott, R., et al. (LIGO and VIRGO Collaboration)
Acidity and basicity of primaryN-phenylnitramines: catalytic effect of protons on the nitramine rearrangement
2002
Para-substituted N-phenylnitramines were prepared either by oxidation of diazonium salts or by nitration under alkaline or acidic conditions. Isotopic [15N-NO2] labelling indicated that the bands characteristic of the N-nitro group appear in the 1318–1323 and 1585–1607 cm−1 regions. In the nitrogen NMR spectra, the nitramino group gives two resonances at −193 ± 3 (NH) and −32 ± 3 ppm (NO2). The chemical shifts in proton and carbon NMR spectra are predictable, based on increments and the additivity rule. The spectral data indicate the lack of conjugation between the nitramino group and another substituent bound to the ring. It seems to contradict the well-known fact that substituents strongl…
The effects of microwave radiation generated by mobile phones on the tear film
2021
Abstract Electromagnetic radiation (ER) emitted by mobile phones and other modern devices has potentially harmful effects on ocular tissue. Their effects on the eye surface and tear film are little known so far. The aim of this paper was to investigate the effects of ER emitted by the phone mobile on the tear film. For this study, we selected a total of 50 subjects, young, healthy, without chronic treatment, who are not contact lens wearers and who have no history of ophthalmic surgery. Schirmer I test, tear pH and tear ferning test (TFT) were performed on all subjects before (“-pre”) being exposed to ER emitted by the mobile phone and after (“-post”) exposure for 5 minutes, the pH and TFT …
O2-Loading Treatment of Ge-Doped Silica Fibers: A Radiation Hardening Process
2016
International audience; The effects of a high-pressure O2-loading treatment on the radiation response of Ge-doped optical fibers (OFs) were investigated. We found that the incorporation of high concentration of interstitial molecular oxygen remarkably enhances the resistance to ionizing radiation of Ge-doped OFs in the UV-Visible domain and, at the same time, improves the transmission of UV light in the unirradiated OF sample. By comparison with previously reported results, the O2-loading treatment turned out to increase the radiation resistance of Ge-doped OFs more efficiently than F or Ce codoping. The understanding of such amelioration relies in basic radiation-induced mechanisms that we…
Origins of radiation-induced attenuation in pure-silica-core and Ge-doped optical fibers under pulsed x-ray irradiation
2020
We investigated the nature, optical properties, and decay kinetics of point defects causing large transient attenuation increase observed in silica-based optical fibers exposed to short duration and high-dose rate x-ray pulses. The transient radiation-induced attenuation (RIA) spectra of pure-silica-core (PSC), Ge-doped, F-doped, and Ge + F-doped optical fibers (OFs) were acquired after the ionizing pulse in the spectral range of [∼0.8–∼3.2] eV (∼1500–∼380 nm), from a few ms to several minutes after the pulse, at both room temperature (RT) and liquid nitrogen temperature (LNT). Comparing the fiber behavior at both temperatures better highlights the thermally unstable point defects contribut…
Optical properties and photosensitivity of vacuum synthesized Ge-doped sol-gel amorphous SiO/sub 2/
2005
We report optical and electron paramagnetic resonance investigations of gamma ray irradiation effects in sol-gel Ge-doped amorphous SiO/sub 2/. The studied materials have Ge-doping levels up to 10/sup 4/ molar part per million and were densified by two routes differing for the atmosphere: O/sub 2/+N/sub 2/ or vacuum. The obtained results evidence that irradiation affects matrix sites inducing paramagnetic defects. Furthermore, the comparison between the two densification procedures shows that vacuum atmosphere induces higher radiation sensitivity.
Radiation Response of Ce-Codoped Germanosilicate and Phosphosilicate Optical Fibers
2016
We report an experimental investigation on the effects of Ce-codoping in determining the radiation response of germanosilicate and phosphosilicate Optical Fibers (OFs) in the UV-Visible domain and up to doses of $1~\hbox{MGy}({\rm SiO}_{2})$ . We show that the addition of Ce strongly impacts the Radiation Induced Attenuation (RIA) of both types of fibers. In the first case the radiation induced losses increase, whereas in the second one decrease. By combining the online RIA measurements with the Electron Paramagnetic Resonance (EPR) ones, we are able to infer the basic microscopic mechanisms taking place under irradiation, which involve the cerium codopant and some of the known Ge-related o…
Theoretical and computational studies of magnetic anisotropy and exchange coupling in molecular systems
2018
The field of molecular magnetism studies the magnetic properties of molecular systems as opposed to conventional metal-based magnets. The high chemical modifiability of the constituting molecules makes such materials highly versatile, and the small size of the building blocks leads to the rise of various quantum mechanical phenomena, such as tunneling and entanglement. These phenomena can then be further utilized in the construction of nanoscale quantum devices. This dissertation describes computational and theoretical studies in the field of molecular magnetism using state-of-the-art quantum chemical methods based on ab initio multireference approaches and broken symmetry density functional t…