14 research outputs found

    A DFT study of 1,3-dipolar cycloaddition reactions of 5-membered cyclic nitrones with α,β-unsaturated lactones and with cyclic vinyl ethers. Part I

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    International audienceThe 1,3-dipolar cycloaddition of cyclic nitrones with electron-poor and electron-rich cyclic dipolarophiles (α,β-unsaturated lactones and vinyl ethers) is studied. The energies of the cycloaddition reactions have been investigated through molecular orbital calculations at the B3LYP/6-31+G(d) level theory. Different reaction channels and reactants approaches, effective in regio- and stereochemical preferences are discussed. The results were compared with experimental data to find a good agreement

    A DFT study of 1,3-dipolar cycloaddition of cyclic nitrones to unsaturated lactones. Part II

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    International audienceThe 1,3-dipolar cycloadditions of cyclic nitrones to five-membered unsaturated lactones are studied. Special attention was focused on a single and double asymmetric induction when one or both components were chiral. The energies of the cycloaddition reactions are investigated through application of molecular orbital calculations at the B3LYP/6-31+G(d) theory level. A study of the different reactants’ approaches and their conformational aspects revealed the stereochemical preferences of these reactions. The results of these calculations correspond well with the previously reported experimental data

    Experimental Evaluation of Sub-Sampling IQ Detection for Low-Level RF Control in Particle Accelerator Systems

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    The low-level radio frequency (LLRF) control system is one of the fundamental parts of a particle accelerator, ensuring the stability of the electro-magnetic (EM) field inside the resonant cavities. It leverages on the precise measurement of the field by in-phase/quadrature (IQ) detection of an RF probe signal from the cavities, usually performed using analogue downconversion. This approach requires a local oscillator (LO) and is subject to hardware non-idealities like mixer nonlinearity and long-term temperature drifts. In this work, we experimentally evaluate IQ detection by direct sampling for the LLRF system of the Polish free electron laser (PolFEL) now under development at the National Centre for Nuclear Research (NCBJ) in Poland. We study the impact of the sampling scheme and of the clock phase noise for a 1.3-GHz input sub-sampled by a 400-MSa/s analogue-to-digital converter (ADC), estimating amplitude and phase stability below 0.01% and nearly 0.01°, respectively. The results are in line with state-of-the-art implementations, and demonstrate the feasibility of direct sampling for GHz-range LLRF systems

    Super-resonant radiation stimulated by high-harmonics

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    Autism spectrum disorder (ASD) is highly prevalent in subjects with Tuberous Sclerosis Complex (TSC), but we are not still able to reliably predict which infants will develop ASD. This study aimed to identify the early clinical markers of ASD and/or developmental delay (DD) in infants with an early diagnosis of TSC. We prospectively evaluated 82 infants with TSC (6-24 months of age), using a detailed neuropsychological assessment (Bayley Scales of Infant Development-BSID, and Autism Diagnostic Observation Schedule-ADOS), in the context of the EPISTOP (Long-term, prospective study evaluating clinical and molecular biomarkers of EPIleptogenesiS in a genetic model of epilepsy-Tuberous SclerOsis ComPlex) project (NCT02098759). Normal cognitive developmental quotient at 12 months excluded subsequent ASD (negative predictive value 100%). The total score of ADOS at 12 months clearly differentiated children with a future diagnosis of ASD from children without (p = 0.012). Atypical socio-communication behaviors (p < 0.001) were more frequently observed than stereotyped/repetitive behaviors in children with ASD at 24 months. The combined use of BSID and ADOS can reliably identify infants with TSC with a higher risk for ASD at age 6-12 months, allowing for clinicians to target the earliest symptoms of abnormal neurodevelopment with tailored intervention strategies
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