Search results for " Spectroscopy"
showing 10 items of 6851 documents
Methyl Radical in Clathrate Silica Voids. The Peculiar Physisorption Features of the Guest-Host Molecular Dynamics Interaction.
2016
EPR line shape simulations of CH3/SiO2 clathrates and comparison to CH3/N2O and CH3/SiO2 experiments reveal the motional conditions of the CH3 radical up to the unusual regime of its stability, the high-temperature diffusional regime, at 300 K. In the low-temperature region, the CH3 in clathrates is found to rotate around the in-plane axes even at as low temperatures as 3.8 K. However, nonrotating methyls performing only libration about the C2-axes as well as around the C3-axis are also found, proving the existence of special sites in the clathrate voids that begin to accumulate a significant fraction of methyl radicals at temperatures below approximately 7 K. A distinctive feature in the s…
An Iranian booklet: non destructive examination by Energy Dispersive X-Ray Diffractometry and Micro-Raman Spectroscopy
2009
Energy Dispersive X-Ray Diffractometry was used in combination with micro-Raman Spectroscopy to study an undated illuminated Iranian booklet. In both cases, no preliminary preparation of the samples was needed: the data were acquired in a non-destructive way in a natural environment. The book is of particular interest because of the unusual presence of miniatures on some pages. The two techniques were used to collect data from small areas of the pages and in different regions of the miniature in order to identify inks and pigments and to attempt chronological assignment. Raman spectra were affected by strong background fluorescence. In spite of this, different peaks were detected and identi…
Determination of metal concentrations in certified plastic reference materials after small-size autoclave and microwave-assisted digestion followed w…
2017
Abstract The digestion methods for the determination of As, Cd, Cr, Pb, Sb, Sn and Zn concentrations in plastic samples using microwave-assisted digestion (MW-AD) and small-size autoclave digestion was developed. The certified polyethylene, polypropylene, polyvinyl chloride and acrylonitrile butadiene styrene certified reference materials were used in order to find digestion method working properly for several sample matrices. Efficiency of the digestion methods was evaluated by analyzing the residual carbon in digests by TOC analyzer. MW-AD using a mixture of 7 mL of HNO 3 and 3 mL of H 2 O 2 as a digestion solution resulted in excellent recoveries for As, Cd, Pb, Sb and Zn, and were in th…
Differentiation among dairy products by combination of fast field cycling NMR relaxometry data and chemometrics
2021
A set of commercial milk and Sicilian cheeses was analysed by a combination of fast field cycling (FFC) nuclear magnetic resonance (NMR) relaxometry and chemometrics. The NMR dispersion (NMRD) curves were successfully analysed with a mathematical model applied on Parmigiano-Reggiano (PR) cheese. Regression parameters were led back to the molecular components of cheeses (water trapped in casein micelles, proteins and fats) and milk samples (water belonging to hydration shells around dispersed colloidal particles of different sizes and bulk water). The application of chemometric analysis on relaxometric data enabled differentiating milk from cheeses and revealing differences within the two sa…
Effects of Transcranial Direct Current Stimulation on Baseline and Slope of Prefrontal Cortex Hemodynamics During a Spatial Working Memory Task
2020
Background: Transcranial direct current stimulation (tDCS) has been shown to be an inexpensive, safe, and effective way of augmenting a variety of cognitive abilities. Relatively recent advances in neuroimaging technology have provided the ability to measure brain activity concurrently during active brain stimulation rather than after stimulation. The effects on brain activity elicited by tDCS during active tDCS reported by initial studies have been somewhat conflicted and seemingly dependent on whether a behavioral improvement was observed. Objective: The current study set out to address questions regarding behavioral change, within and between-participant designs as well as differentiatin…
Characterisation of component pigments in a mixture
2011
This work is part of Raman spectra database constitution of pigments and materials of Cultural Heritage interest for polychrome artworks characterization. The colours of paintings are often obtained mixing pigments of palette artist’s. The attribution of a work of art to an author and the individuation of fakes are related to the identification of used pigments and also to the detection of mixture constituents. The main research objective is the extension of PH3DRA laboratory database with information useful to detect not only each single pigment but also quantitative data regarding its relative ratio in the examined mixture. The availability of spectra as revealed represents the primary li…
A magnetic look into the protecting layer of Au25 clusters
2016
The field of molecular metal clusters protected by organothiolates is experiencing a very rapid growth. So far, however, a clear understanding of the fine interactions between the cluster core and the capping monolayer has remained elusive, despite the importance of the latter in interfacing the former to the surrounding medium. Here, we describe a very sensitive methodology that enables comprehensive assessment of these interactions. Pulse electron nuclear double resonance (ENDOR) was employed to study the interaction of the unpaired electron with the protons of the alkanethiolate ligands in four structurally related paramagnetic Au25(SR)0 18 clusters (R ¼ ethyl, propyl, butyl, 2-methylpro…
Simple Rules for Complex Near-Glass-Transition Phenomena in Medium-Sized Schiff Bases
2022
Glass-forming ability is one of the most desired properties of organic compounds dedicated to optoelectronic applications. Therefore, finding general structure–property relationships and other rules governing vitrification and related near-glass-transition phenomena is a burning issue for numerous compound families, such as Schiff bases. Hence, we employ differential scanning calorimetry, broadband dielectric spectroscopy, X-ray diffraction and quantum density functional theory calculations to investigate near-glass-transition phenomena, as well as ambient- and high-pressure molecular dynamics for two structurally related Schiff bases belonging to the family of glycine imino esters. Firstly…
Complete 1H, 13C{1H}, and 31P NMR Spectral Parameters of Some Pyrophosphates
2017
The 1H, 13C{1H}, and 31P NMR spectral parameters of some pyrophosphates were determined in CDCl3. The most complicated 1H spectrum can be solved fully only as (A3MN)R6XX′R6′(MNA3)′, where R6 (= ―N(CH3)2) is coupled only to phosphorus (X). Second-order coupling between phosphorus was found and solved with iterative analysis. A signal shape of one of the carbon resonance cannot be explained only with couplings. Explanation for exceptional shape was searched from molecular modeling results. peerReviewed
Visualization of Moiré Magnons in Monolayer Ferromagnet
2023
| openaire: EC/H2020/788185/EU//E-DESIGN Two-dimensional magnetic materials provide an ideal platform to explore collective many-body excitations associated with spin fluctuations. In particular, it should be feasible to explore, manipulate, and ultimately design magnonic excitations in two-dimensional van der Waals magnets in a controllable way. Here we demonstrate the emergence of moiré magnon excitations, stemming from the interplay of spin-excitations in monolayer CrBr3 and the moiré pattern arising from the lattice mismatch with the underlying substrate. The existence of moiré magnons is further confirmed via inelastic quasiparticle interference, showing the appearance of a dispersion …