Search results for "absorption spectroscopy"
showing 10 items of 828 documents
Quantification of cadmium-induced metallothionein in crustaceans by the silver-saturation method
1995
Metallothionein (MT) has been proposed as a specific biochemical probe for metal exposure of aquatic organisms. It is recognized that its usefulness as a monitoring tool depends on the full understanding of its function and on the possibility of measuring its concentration in tissues. Therefore the study of MT in crustaceans is interesting from two different points of view: the need to understand mechanisms associated with the toxicology of metals, and the potential use of this protein for monitoring metal-contamined environments. Several methods have been developed for quantitative measurements of MT in biological samples. Immunochemical and electrochemical procedures are reliable techniqu…
Local Structure Studies of Ti for SrTi16O3 and SrTi18O3 by Advanced X-ray Absorption Spectroscopy Data Analysis
2015
Strontium titanate is a model quantum paraelectric in which in the region of dominating quantum statistics the ferroelectric instability is inhibited due to nearly complete compensation of the harmonic contribution into ferroelectric soft mode frequency by the zero-point motion contribution. The enhancement of atomic masses by the substitution of 18O for 16O decreases the zero-point atomic motion and low-T ferroelectricity in SrTi18O3 is realized. In this study we report on the local structure of Ti in SrTi16O3 and SrTi18O3 by Ti K-edge extended x-ray absorption fine structure measurements in temperature range 6 – 300 K.
ODS tērauda izejmateriālu lokālās struktūras analīze izmantojot Ti un Y K-malas rentgenabsorbcijas spektroskopiju
2017
Šajā darbā tika izmantota rentgenstaru absorbcijas spektru analīze oksīdu stiprinātam tēraudam (ODS), kas ir perspektīvs materiāls dažādās jomās, piemēram, saules elektrostacijās, reaktīvos dzinējos, ķīmiskos reaktoros un kodolreaktoros, jo materiālam piemīt tādas īpašības kā laba siltumvadītspēja un zema termiskās izplešanās apvienojumā ar augstu temperatūras izturību, korozijas un radiācijas pretestību. Darbā tiek iegūta informācija par ar dažādām metodēm izgatavotu ODS tēraudu lokālās atomārās struktūras izmaiņu ap itrija (Y) un titāna (Ti) atomiem, analizējot Y un Ti absorbcijas K-malu.
ODS tērauda izejmateriālu lokālās struktūras analīze, izmantojot rentgenabsorbcijas spektroskopiju
2015
Oksīdu stiprināts tērauds (ODS) ir perspektīvs kodolsintēzes reaktoru materiāls, kuram ir lieliska siltumvadītspēja un zema termiskās izplešanās, apvienojumā ar augstu temperatūras izturību, korozijas un radiācijas pretestību. Tamdēļ šo materiālu var izmantot arī daudzos citos pielietojumos, piemēram, saules elektrostacijās, reaktīvos dzinējos, ķīmiskos reaktoros, kā arī ūdeņraža ražošanā. Šajā darbā ar rentgenabsorbcijas spektroskopijas metodi tika analizētas ferīta un austentisko ODS tēraudu lokālās atomārās struktūras izmaiņas ap dzelzs (Fe) un hroma (Cr) atomiem dažādos tēraudu izgatavošanas posmos, analizējot Fe un Cr absorbcijas K-malas spektrus.
Some observations on the use of matrix modifiers in the determination of aluminum by electrothermal atomic absorption spectrophotometry
1989
Abstract Some evidence demonstrating that the use of matrix modifiers is necessary to obtain good calibration lines in the determination of aluminum by graphite furnace atomic absorption spectrophotometry is provided. It was found that the most sensitive results were obtained when Mg(NO 3 ) 2 was used instead of NH 4 H 2 PO 4 .
Model, software and database for line-mixing effects in the ν3 and ν4 bands of CH4 and tests using laboratory and planetary measurements-I: N2(and ai…
2006
International audience; Absorption spectra of the infrared ν3 and ν4 bands of CH4 perturbed by N2 over large ranges of pressure and temperature have been measured in the laboratory. A theoretical approach accounting for line mixing is proposed to (successfully) model these experiments. It is similar to that of Pieroni et al. [J Chem Phys 1999;110:7717–32] and is based on state-to-state rotational cross-sections calculated with a semi-classical approach and a few empirical parameters. The latter, which enable switching from the state space to the line space, are deduced from a fit of a single room temperature spectrum of the ν3 band at 50 atm. The comparisons between numerous measured and ca…
Characterization of a cylindrical plastic β-detector with Monte Carlo simulations of optical photons
2017
In this work we report on the Monte Carlo study performed to understand and reproduce experimental measurements of a new plastic β-detector with cylindrical geometry. Since energy deposition simulations differ from the experimental measurements for such a geometry, we show how the simulation of production and transport of optical photons does allow one to obtain the shapes of the experimental spectra. Moreover, taking into account the computational effort associated with this kind of simulation, we develop a method to convert the simulations of energy deposited into light collected, depending only on the interaction point in the detector. This method represents a useful solution when extens…
Donor-π-acceptors containing the 10-(1,3-dithiol-2-ylidene)anthracene unit for dye-sensitized solar cells
2012
Two donor-acceptor molecular tweezers incorporating the 10-(1,3-dithiol-2-ylidene)anthracene unit as donor group and two cyanoacrylic units as accepting/anchoring groups are reported as metal-free sensitizers for dye-sensitized solar cells. By changing the phenyl spacer with 3,4-ethylenedioxythiophene (EDOT) units, the absorption spectrum of the sensitizer is red-shifted with a corresponding increase in the molar absorptivity. Density functional calculations confirmed the intramolecular charge-transfer nature of the lowest-energy absorption bands. The new dyes are highly distorted from planarity and are bound to the TiO(2) surface through the two anchoring groups in a unidentate binding for…
Combined Spectroscopic and TD-DFT Analysis to Elucidate Substituent and Acidochromic Effects in Organic Dyes: A Case Study on Amino- versus Nitro-Sub…
2020
Made available in DSpace on 2020-12-12T01:33:30Z (GMT). No. of bitstreams: 0 Previous issue date: 2020-01-01 A combined spectroscopic and TD-DFT case study was performed, to identify a robust method to calculate the complex near UV/Vis absorption spectra of various amino- vs. nitro-substituted 2,4-diphenylquinolines, which vary strongly under neutral and successively acidic conditions. For this, different DFT functionals were tested for geometry optimization and the TD part to calculate the neutral and different protonated species in a fast screening approach, i. e. using single point calculations in an implicit solvent. Offset-corrected M06HF, hitherto only applied to polymers, was identif…
Strongly Coupled Coherent Phonons in Single-Layer MoS 2
2019
We present a transient absorption setup combining broadband detection over the visible-UV range with high temporal resolution ($\sim$20fs) which is ideally suited to trigger and detect vibrational coherences in different classes of materials. We generate and detect coherent phonons (CPs) in single layer (1L) MoS$_2$, as a representative semiconducting 1L-transition metal dichalcogenide (TMD), where the confined dynamical interaction between excitons and phonons is unexplored. The coherent oscillatory motion of the out-of-plane $A'_{1}$ phonons, triggered by the ultrashort laser pulses, dynamically modulates the excitonic resonances on a timescale of few tens fs. We observe an enhancement by…