Search results for "rare"
showing 10 items of 2778 documents
The Boson Peak of Amyloid Fibrils: Probing the Softness of Protein Aggregates by Inelastic Neutron Scattering
2014
Proteins and polypeptides are characterized by low-frequency vibrations in the terahertz regime responsible for the so-called "boson peak". The shape and position of this peak are related to the mechanical properties of peptide chains. Amyloid fibrils are ordered macromolecular assemblies, spontaneously formed in nature, characterized by unique biological and nanomechanical properties. In this work, we investigate the effects of the amyloid state and its polymorphism on the boson peak. We used inelastic neutron scattering to probe low-frequency vibrations of the glucagon polypeptide in the native state and in two different amyloid morphologies in both dry and hydrated sample states. The dat…
Amphetamine-type stimulants analysis in oral fluid based on molecularly imprinting extraction
2018
Abstract A methamphetamine-based molecularly imprinted polymer (MIP) has been prepared by bulk polymerization to recognize new psychoactive substances (NPS) of the amphetamine, cathinones and 2C families in oral fluid samples, being the first precedent of a synthetized MIP for the extraction and preconcentration 32 NPS including amphetamine type substances and synthetic cathinones from oral fluids. Pre-polymerization complex and resulting materials were appropriately characterized by infrared spectroscopy, scanning electron microscopy, and nitrogen adsorption-desorption isotherms. Appropriateness of the material for the specific recognition of the target analytes was also evaluated through …
Quantification of minerals from ATR-FTIR spectra with spectral interferences using the MRC method.
2017
A method for quantifying the individual components of mineral samples based on attenuated total reflectance - Fourier transform infrared spectroscopy (ATR-FTIR) is described, extending the constant ratio (CR) method to analytes absorbing in a common range of wavenumbers. Absorbance values in the spectral region where the analytes absorb relative to the absorbance of an internal standard absorbing at a wavenumber where the analytes do not absorb, permits the quantification of N analytes using measurements at N fixed wavenumbers. The method was tested for mixtures of albite, orthoclase, kaolin and quartz.
Nutritional parameters of commercially available milk samples by FTIR and chemometric techniques
2004
Abstract A chemometric study on the prediction of the main nutritional aspects of milk has been carried out by using fourier transform infrared spectroscopy (FTIR) attenuated total reflectance (ATR) measurements of commercially available milk samples of different types. Whole, semi and skimmed milks, enriched or not with calcium, vitamins or modified by alteration of lipid or sugar composition were considered. After evaluating different strategies for data acquisition and ATR cleaning between samples, hierarchical cluster analysis (HCA) was carried out for classification of samples in order to choose the calibration set. The prediction capabilities of partial least squares (PLS) data treatm…
FT-IR quantitative analysis of solvent mixtures by the constant ratio method
1999
Abstract An analytical methodology to quantify compounds in complex mixtures by FTIR spectroscopy is proposed and the “Constant Ratio Method” (CRM) was developed. The addition of a standard to the sample allows us to establish a constant KMS characteristic of the Analyte/Standard system which can be employed as a quantification factor of the analyte in different samples . In the proposed method the measurements are independent of optical path length. This method has been successfully applied to quantify butylacetate and toluene in binary and tertiary samples and tertiary mixtures. Butylacetate/toluene/nujol have been resolved employing valeronitrile as standard, obtaining values for relativ…
Procedure for automated background correction in flow systems with infrared spectroscopic detection and changing liquid-phase composition
2009
This paper describes a partial least squares (PLS) based automatic procedure to correct for changes in the spectral contribution of the solvent or solvent mixtures from solute spectra recorded in these solvents. The procedure was developed for successful on-line Fourier transform infrared (FT-IR) detection in gradient high-performance liquid chromatography (HPLC) separations. It requires a reference FT-IR data set containing all possible combinations of the expected variation in solvent composition. Furthermore, a spectral region ( A) in these spectra is required where the solvents show absorption but the analytes do not. This is the case for the system ACN:H2O, an often-applied solvent mi…
Identification and determination of synthetic cannabinoids in herbal products by dry film attenuated total reflectance-infrared spectroscopy.
2017
A new procedure has been developed for the identification and quantitative determination of synthetic cannabinoids in illicit herbal preparations. The methodology is based on the use of attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) measurement of sample extracts with 2-propanol drying 5µL of the extracts onto the ATR crystal. The qualitative identification was carried out on the 2-propanol extract after identification of the herbal matrix, followed by its subtraction and using a cut-off criterion of 75%. Quantitative determination was made by univariate calibration using the absorbance of the band located at 1520cm-1 of the spectrum. Four different cannabin…
Chemometric determination of lipidic parameters in serum using ATR measurements of dry films of solvent extracts
2013
Attenuated total reflectance (ATR) infrared spectroscopy of dried organic extracts of serum samples has been evaluated as a fast method for the determination of triglycerides, cholesterol, high density lipoprotein (HDL) and low density lipoprotein (LDL). After careful selection of solvents based on green parameters, serum samples were extracted using hexane-isopropanol and ethyl acetate-ethanol mixtures. Microscopy studies and comparison with standard spectra were performed in order to investigate whether the proposed methodology is suitable for the quantification of lipids in serum samples. The results of these preliminary studies confirmed that the variations in the IR spectra of sample e…
Capillary electrokinetic fractionation mass spectrometry (CEkF/MS): Technology setup and application to metabolite fractionation from complex samples…
2014
Capillary electrokinetic fractionation (CEkF) is investigated as a new, simple, and robust approach for semipreparative and analytical sample analysis based on pKa -dependant pH-driven electrophoretic mobility. CEkF was optimized with contactless conductivity detection and conducted with 10 kV reverse voltage for 10 min, then coupled on/at-line to ESI/MS. We propose a semi-empirical model with 14 representative compounds based on the correlation between sample/medium pH regulating the partial charge, the electrokinetic loading of the capillary and intensity (I) of analytes. According to the model, an empirical function (I = f (pH)) could be derived to calculate the acid dissociation constan…
A solid colorimetric sensor for the analysis of amphetamine-like street samples.
2016
A solid sensor obtained by embedding 1,2-naphthoquinone-4-sulfonate (NQS) into polydimethylsiloxane/tetraethylortosilicate/silicon dioxide nanoparticles composite has been developed to identify and determine amphetamine (AMP), methamphetamine (MAMP), 3,4-methylenedioxymetamphetamine (MDMA) and 3,4-methylenedioxyamphetamine (MDA). The analytes are derivatized inside the composite for 10 min to create a colored product which can be then quantified by measuring the diffuse reflectance or the color intensity after processing the digitalized image. Satisfactory limits of detection (0.002–0.005 g mL−1) and relative standard deviations (<10%) have been achieved. The proposed kit has been successfu…