Search results for "effect [finite size]"
showing 10 items of 105 documents
The substituent effect of π-electron delocalization in N-methylamino-nitropyridine derivatives: crystal structure and DFT calculations
2020
AbstractThe crystal and molecular structures of 3-(N-methylamino)-2-nitropyridine, 5-(N-methylamino)-2-nitropyridine and 2-(N-methylamino)-5-nitropyridine have been characterized by X-ray diffraction. To perform conformational analysis, the geometries of the compounds as well as their conformers and rotamers were optimized at the B3LYP/6-311++G(3df,3pd) level. The resulting data were used to analyze the π-electron delocalization effect in relation to the methylamino group rotation in ortho-, meta- and para-substitution positions. Quantitative aromaticity indices were calculated based on which we estimated the electronic structures of the analyzed compounds. The substituent effect of the met…
Mapping brain activity with flexible graphene micro-transistors
2016
arXiv:1611.05693v1.-- et al.
Visual mismatch negativity (vMMN): A review and meta-analysis of studies in psychiatric and neurological disorders
2016
The visual mismatch negativity (vMMN) response is an event-related potential (ERP) component, which is automatically elicited by events that violate predictions based on prior events. VMMN experiments use visual stimulus repetition to induce predictions, and vMMN is obtained by subtracting the response to rare unpredicted stimuli from those to frequent stimuli. One increasingly popular interpretation of the mismatch response postulates that vMMN, similar to its auditory counterpart (aMMN), represents a prediction error response generated by cortical mechanisms forming probabilistic representations of sensory signals. Here we discuss the physiological and theoretical basis of vMMN and review…
Public policy in families and successions regulations : the case of ?talaq?
2021
According to EU Regulations on transnational families and successions, a foreign rule remains without effect if it is deemed contrary to the so-called public policy (ordre public) of the forum?s legal system. As a consequence, judges have to evaluate whether the application of foreign law is incompatible with fundamental principles of the domestic law, especially whether it would constitute a violation against human rights. An outstanding controversial issue is today represented by Islamic repudiation (talaq): two contrasting Italian judicial decisions of August 2020 may illustrate how difficult it could be to determine what public policy is.
How much Is needed? Comparison of the effectiveness of different pain education dosages in patients with fibromyalgia
2019
AbstractObjectiveTo assess the effect of different dosages of pain neuroscience education (PNE) programs on central nociceptive processing in patients with fibromyalgia. Second, to compare the effects of different dosages of PNE programs on numerical pain rating scale (NPRS), disability, and psychological variables.DesignSingle-blind randomized controlled trial.SettingThree fibromyalgia centers in Spain (Valencia, Alcorcón, Alcalá de Henares).SubjectsSeventy-seven patients with fibromyalgia.MethodsParticipants were randomized to four groups of PNE: 1) high-dose PNE (N = 20), 2) low–concentrated dose PNE (N = 20), 3) diluted low-dose PNE (N = 20), and (4) control treatment (N = 17), conducte…
How far the substituent effects in disubstituted cyclohexa-1,3-diene derivatives differ from those in bicyclo[2.2.2]octane and benzene?
2018
Substituents effects in cyclic diene derivatives are studied using quantum chemical modeling and compared to the corresponding effects in aromatic (benzene) and fully saturated (bicyclo[2.2.2]octane) compounds. In particular, electronic properties of the fixed group Y in a series of 3- and 4-X-substituted cyclohexa-1,3-diene-Y derivatives (where Y = NO2, COOH, COO− OH, O−, NH2, and X = NMe2, NH2, OH, OMe, Me, H, F, Cl, CF3, CN, CHO, COMe, CONH2, COOH, NO2, NO) are examined using the B3LYP/6-311++G(d,p) method. For this purpose, quantum chemistry models of the substituent effect: cSAR (charge of the substituent active region) and SESE (substituent effect stabilization energy) as well as trad…
Selective chromo-fluorogenic detection of DFP (a Sarin and Soman mimic) and DCNP (a Tabun mimic) with a unique probe based on a boron dipyrromethene …
2014
[EN] A novel colorimetric probe (P4) for the selective differential detection of DFP (a Sarin and Soman mimic) and DCNP (a Tabun mimic) was prepared. Probe P4 contains three reactive sites; i.e. (i) a nucleophilic phenol group able to undergo phosphorylation with nerve gases, (ii) a carbonyl group as a reactive site for cyanide; and (iii) a triisopropylsilyl (TIPS) protecting group that is known to react with fluoride. The reaction of P4 with DCNP in acetonitrile resulted in both the phosphorylation of the phenoxy group and the release of cyanide, which was able to react with the carbonyl group of P4 to produce a colour modulation from pink to orange. In contrast, phosphorylation of P4 with…
Giant Magnetoresistance (GMR) Magnetometers
2016
Since its discovering in 1988, the Giant Magnetoresistance (GMR) effect has been widely studied both from the theoretical and the applications points of view. Its rapid development was initially promoted by their extensive use in the read heads of the massive data magnetic storage systems, in the digital world. Since then, novel proposals as basic solid state magnetic sensors have been continuously appearing. Due to their high sensitivity, small size and compatibility with standard CMOS technologies, they have become the preferred choice in scenarios traditionally occupied by Hall sensors. In this chapter, we analyze the main properties of GMR sensors regarding their use as magnetometers. W…
Chromatographic Efficiency in Micellar Liquid Chromatography: Should it Be Still a Topic of Concern?
2013
Micellar liquid chromatography (MLC) was first proposed as an attractive alternative to avoid the use of organic solvents. It was soon apparent that pure micellar solutions yield poor efficiencies. This problem was remediated by the addition of a small amount of an organic solvent. However, the general opinion of the poor peak shape has prevailed as a handicap for MLC, in spite of the fact that the hybrid mode often offers similar or even improved efficiencies (for basic compounds) relative to that attained in the hydro-organic mode. Only the efficiencies for apolar non-ionizable compounds are still clearly inferior. This work describes the type of interactions and polarity changes with org…
Individual Variability and Average Reliability in Parallel Networks of Heterogeneous Biological and Artificial Nanostructures
2013
We simulate the collective electrical response of heterogeneous ensembles of biological and artificial nanostructures whose individual threshold potentials show a significant variability. This problem is of current interest because nanotechnology is bound to produce nanostructures with a significant experimental variability in their individual physical properties. This diversity is also present in biological systems that are however able to process information efficiently. The nanostructures considered are the ion channels of biological membranes, nanowire field-effect transistors, and metallic nanoparticle-based single electron transistors. These systems are simulated with canonical models…