Search results for "Magnetic Resonance"
showing 10 items of 4721 documents
Tumours of Nasal Septum: A Retrospective Study of 32 Patients
2022
Objective: Tumours of the nasal septum are a rare and heterogeneous group of lesions in the sinonasal tract. The management of the different lesions of this site is debated. The aim of this study is to share our experience on a rare clinical condition and stimulate other centres to publish theirs. Methods: We retrospectively analysed the databases of sinonasal tumours treated at the Sections of Otolaryngology (ENT) of two University Hospitals (Palermo and Genova) between 2012 and 2020. Results: From the two databases, a cohort of 32 patients with tumours of nasal septum were selected. All patients underwent an endoscopic examination. Large tumours underwent preoperative computed tomography …
Comparison of different theory models and basis sets in the calculation of 13C NMR chemical shifts of natural products.
2004
The influence of the calculation method in mimicking experimental 13C NMR chemical shifts of 15 low-polarity natural products singularly containing 10–20 carbon atoms was investigated by employing different quantum chemistry approaches and basis sets, both in the preliminary geometry optimizations and in the following single-point 13C GIAO calculations of the NMR chemical shifts. The geometries of the involved species were optimized at the PM3, HF, B3LYP and mPW1PW91 levels whereas the 13C NMR parameters were determined at the HF, B3LYP and mPW1PW91 levels. Different combinations of basis sets were also tested. The consistency and efficiency of the considered combinations of geometry optimi…
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…
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…
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…
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…
Direct P-functionalization of azobenzene by a cationic phosphidozirconocene complex.
2016
International audience; We report that the cationic phosphidozirconocene complex [(eta(5)-C5H5)(2)Zr(PCy2)][CH3B(C6F5)(3)] (II) reacts with azobenzene, resulting in the expedient formation of Zr complex (2) bound to a tridentate PNN ligand. This reaction proceeds by a mechanism of cooperative nucleophilic substitution of hydrogen. The intermediate sigma(H) adduct (1) has been characterized by NMR spectroscopy.
Reactions of m-Terphenyl-Stabilized Germylene and Stannylene with Water and Methanol: Oxidative Addition versus Arene Elimination and Different React…
2015
Reactions of the divalent germylene Ge(ArMe6)2 (ArMe6 = C6H3-2,6-{C6H2-2,4,6-(CH3)3}2) with water or methanol gave the Ge(IV) insertion product (ArMe6)2Ge(H)OH (1) or (ArMe6)2Ge(H)OMe (2), respectively. In contrast, its stannylene congener Sn(ArMe6)2 reacted with water or methanol to produce the Sn(II) species {ArMe6Sn(μ-OH)}2 (3) or {ArMe6Sn(μ-OMe)}2 (4), respectively, with elimination of ArMe6H. Compounds 1–4 were characterized by IR and NMR spectroscopy as well as by X-ray crystallography. Density functional theory calculations yielded mechanistic insight into the formation of (ArMe6)2Ge(H)OH and {ArMe6Sn(μ-OH)}2. The insertion of an m-terphenyl-stabilized germylene into the O–H bond was…