Search results for " Infrared Spectroscopy"
showing 10 items of 438 documents
Quantification of hydrolysis of toxic organophosphates and organophosphonates by diisopropyl fluorophosphatase from Loligo vulgaris by in situ Fourie…
2008
Abstract The enzyme diisopropyl fluorophosphatase (DFPase) from the squid Loligo vulgaris effectively catalyzes the hydrolysis of diisopropyl fluorophosphate (DFP) and a number of organophosphorus nerve agents, including sarin, soman, cyclosarin, and tabun. Up to now, the determination of kinetic data has been achieved by techniques such as pH-stat titration, ion-selective electrodes, and fluorogenic substrate analogs. We report a new assaying method using in situ Fourier transform infrared (FTIR) spectroscopy with attenuated total reflection (ATR) for the real-time determination of reaction rates. The method employs changes in the P–O–R stretching vibration of DFP and nerve agent substrate…
Modified locally weighted—Partial least squares regression improving clinical predictions from infrared spectra of human serum samples
2012
Locally weighted partial least squares regression (LW-PLSR) has been applied to the determination of four clinical parameters in human serum samples (total protein, triglyceride, glucose and urea contents) by Fourier transform infrared (FTIR) spectroscopy. Classical LW-PLSR models were constructed using different spectral regions. For the selection of parameters by LW-PLSR modeling, a multi-parametric study was carried out employing the minimum root-mean square error of cross validation (RMSCV) as objective function. In order to overcome the effect of strong matrix interferences on the predictive accuracy of LW-PLSR models, this work focuses on sample selection. Accordingly, a novel strateg…
High-resolution Fourier transform infrared spectroscopy and analysis of the ν3 fundamental band of P4
1999
Abstract We present the first high-resolution infrared absorption study of the ν 3 fundamental of white phosphorus, P 4 . This spectrum has been analyzed using the STDS (Spherical Top Data System) software. The band center lies at 466.286 cm −1 . With the approximation ( Bζ ) 3 =− B 0 /2, we found that the ground-state bond length is r 0 =219.58 pm. This value is consistent with that of ab initio studies reported previously but significantly different from a value obtained from a Raman study.
Influence of metal ions on thermal aggregation of bovine serum albumin: aggregation kinetics and structural changes
2009
Metal ions are implicated in protein aggregation processes of several neurodegenerative pathologies. In this work the effects of Cu(II) and Zn(II) ions on heat-induced structural modifications of bovine serum albumin (BSA) were studied, with the aim of delineating the role of these ions in the early stages of proteins aggregation kinetics. A joint application of different techniques was used. The aggregate growth was followed by dynamic light scattering measurements, whereas the conformational changes occurring in the protein structure were monitored by Raman and IR spectroscopy. Both in absence and in presence of metal ions, heating treatment gave rise to b-structures to the detriment of a…
MTA HP Repair stimulates in vitro an homogeneous calcium phosphate phase coating deposition
2019
Background To study the mineralization capacity in vitro of the bioceramic endodontic material MTA HP Repair. Material and methods Bioactivity evaluation in vitro was carried out, by soaking processed cement disk in simulated body fluid (SBF) during 168 h. The cement surface was studied by Fourier transform infrared spectroscopy (FT-IR), field emission gun scanning electron microscopy (FEG-SEM) and energy dispersive X-ray analysis (EDX). Release to the SBF media of ionic degradation products was monitored using inductively coupled plasma atomic emission spectroscopy (ICP-AES). Results FT-IR showed increasing formation of phosphate phase bands at 1097, 960, 607 and 570 cm-1 with prolonged SB…
Physicochemical parameters - hydration performance relationship of the new endodontic cement MTA Repair HP
2019
Background To characterize the chemical composition and textural parameters of the MTA Repair HP precursor powder and their influence to hydration performance. Material and methods Un-hydrated precursor material was characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), X-ray fluorescence (XRF), laser diffraction (LD), N2 physisorption and field emission gun scanning electron microscopy (FEG-SEM). Setting time was assessed according to ASTM specification C 266. Hydrated material was analysed by XRD, FT-IR, energy dispersive X-ray (EDX) analysis and FEG-SEM. Results Ca3SiO5 and Ca2SiO4, in addition to CaWO4 as radiopacifier are the main compositional phase…
Mechanical performance of experimental acrylic resins modified by nanoparticles after chemical and mechanical degradation.
2020
Background Different materials have been incorporated into the polymethylmethacrylate matrix to improve its performance. The aim of this study was to evaluate the degree of conversion (DC), the flexural strength (FS), the elasticity modulus (EM), and the effect of exposure to food-simulating liquids prior to brushing simulation on the gloss loss (GL) of experimental acrylic resins modified by nanoparticles. Material and methods Three different types of nanoparticles; silicon oxide (SiO2), cerium oxide (CeO2) and titanium oxide (TiO2) were added to a poly (methylmethacrylate) matrix, in proportions of 0.5wt%, 1wt% and 3wt% each, forming nine experimental groups. The acrylic resin was also te…
3D spectral imaging with synchrotron Fourier transform infrared spectro-microtomography
2013
We report Fourier transform infrared spectro-microtomography, a nondestructive three-dimensional imaging approach that reveals the distribution of distinctive chemical compositions throughout an intact biological or materials sample. The method combines mid-infrared absorption contrast with computed tomographic data acquisition and reconstruction to enhance chemical and morphological localization by determining a complete infrared spectrum for every voxel (millions of spectra determined per sample).
Characterization of adsorbed water in MIL-53(Al) by FTIR spectroscopy and ab-initio calculations
2015
Here, we report ab-initio calculations developed with a twofold purpose: understand how adsorbed water molecules alter the infrared spectrum of the metal-organic framework MIL-53(Al) and to investigate which are the associated physico-chemical processes. The analyzed structures are the two anhydrous narrow (np⊘) and large (lp⊘) pore forms and the hydrated narrow pore form (np-H2O) of the MIL-53(Al). For these structures, we determined their corresponding infrared spectra (FTIR) and we identified the vibrational modes associated to the dominant spectral lines. We show that wagging and scissoring modes of CO2 give flexibility to the structure for facilitating the lp⊘- np⊘ transition. In our s…
Tansy fruit mediated greener synthesis of silver and gold nanoparticles
2010
Abstract In this paper we have reported the green synthesis of silver (AgNPs) and gold (AuNPs) nanoparticles by reduction of silver nitrate and chloroauric acid solutions, respectively, using fruit extract of Tanacetum vulgare ; commonly found plant in Finland. The process for the synthesis of AgNPs and AuNPs is rapid, novel and ecofriendly. Formation of the AgNPs and AuNPs were confirmed by surface plasmon spectra using UV–Vis spectrophotometer and absorbance peaks at 452 and 546 nm. Different tansy fruit extract concentration (TFE), silver and gold ion concentration, temperature and contact times were experimented in the synthesis of AgNPs and AuNPs. The properties of prepared nanoparticl…