Search results for "Transform"
showing 10 items of 3975 documents
Computer simulations for bioequivalence trials: Selection of analyte in BCS class II and IV drugs with first-pass metabolism, two metabolic pathways …
2018
A semi-physiological two compartment pharmacokinetic model with two active metabolites (primary (PM) and secondary metabolites (SM)) with saturable and non-saturable pre-systemic efflux transporter, intestinal and hepatic metabolism has been developed. The aim of this work is to explore in several scenarios which analyte (parent drug or any of the metabolites) is the most sensitive to changes in drug product performance (i.e. differences in in vivo dissolution) and to make recommendations based on the simulations outcome. A total of 128 scenarios (2 Biopharmaceutics Classification System (BCS) drug types, 2 levels of KM Pgp, in 4 metabolic scenarios at 2 dose levels in 4 quality levels of t…
Rapid determination of pharmaceuticals in wastewater by direct infusion HRMS using target and suspect screening analysis
2021
Abstract A wide-scope screening of active pharmaceutical ingredients (APIs) and their transformation products (TPs) in wastewater can yield valuable insights and pinpoint emerging contaminants that have not been previously reported. Such information is relevant to investigate their occurrence and fate in various environmental compartments. In this study, we explored the applicability of direct infusion high resolution mass spectrometry (DI-HRMS) for comprehensive and rapid detection of APIs and their TPs in wastewater samples. The method was developed using a Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) system and incorporated both wide-scope suspect screening and…
Evaluation of analytical performance of gas chromatography coupled with atmospheric pressure chemical ionization Fourier transform ion cyclotron reso…
2019
Abstract A new analytical method was established and validated for the analysis of eighteen halogenated flame retardants (HFRs)in food products. Gas chromatography (GC) coupled to Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) employing atmospheric pressure chemical ionization (APCI) was used for the identification and quantitation of contaminants. Intra-laboratory validation of the method was performed with respect to recovery, repeatability, linear calibration ranges, instrumental and method limits of quantitation (i-LOQ and m-LOQ), and trueness was verified where possible by analysis of reference materials (RMs). The validation results indicated recoveries of ana…
Plasmonic Nanosensor Array for Multiplexed DNA-based Pathogen Detection
2019
In this research we introduce a plasmonic nanoparticle based optical biosensor for monitoring of molecular binding events. The sensor utilizes spotted gold nanoparticle arrays as sensing platform. The nanoparticle spots are functionalized with capture DNA sequences complementary to the analyte (target) DNA. Upon incubation with the target sequence, it will bind on the respectively complementary functionalized particle spot. This binding changes the local refractive index, which is detected spectroscopically as the resulting changes of the localized surface plasmon resonance (LSPR) peak wavelength. In order to increase the signal, a small gold nanoparticle label is introduced. The binding ca…
An Application of Analytic Network Process in the Planning Process: The Case of an Urban Transformation in Palermo (Italy)
2014
The primary objective of this study is to test the multicriteria analysis application in favor of a selection process among alternative transformations of an urban area in the city of Palermo. The choice is referred to as a strategyoriented one aiming to create “new urban centralities” able to redraw all urban structures that start to activate renewal processes within the existing city. The application of multicriteria analysis technique, such as the Analytic Network Process (ANP) - BOCR model, is due to the need to represent the complexity of the decision problem characterized by interrelations among several elements described by many indicators from different levels. The case study is als…
A Paradigm Interpreting the City and the Analytic Network Process for the Management of Urban Transformations
2018
When urban and environmental transformations occur in areas where the equilibrium between nature and culture is complex and fragile, public ad-ministrations could decide to induce private investments using several tools, such as financial contributions to those projects of refurbishment that better re-spect the purpose of improving the environmental quality and of preserving the local architecture. Multicriteria models may support public decision process re-garding this issue, but it is essential to adopt a scientific paradigm that provides a major theoretical reference. This study proposes the development of a net-work model based on the scientific paradigm by Rizzo and the Analytic Net-wo…
New insights in the formation of silanol defects in silicalite-1 by water intrusion under high pressure.
2010
International audience; The "water-silicalite-1" system is known to act as a molecular spring. The successive intrusion-extrusion cycles of liquid water in small crystallites (6 × 3 × 0.5 μm(3)) of hydrophobic silicalite-1 were studied by volumetric and calorimetric techniques. The experiments displayed a decrease of the intrusion pressure between the first intrusion-extrusion cycle and the consecutive ones, whereas the extrusion pressures remained unchanged. However, neither XRD studies nor SEM observations revealed any structural and morphological modifications of silicalite-1 at the long-range order. Such a shift in the value of the intrusion pressure after the first water intrusion-extr…
First signals of electrochemically oxidized species of TTF and TMT-TTF : a study by in situ spectroelectrochemical FTIR and DFT calculations
2003
A first study by in situ FTIR spectroelectrochemistry of TTF and TTM-TTF has been undertaken. The oxidation, in this case, is caused only by electrochemistry, which constitutes a clear advantage over chemical oxidation since no side products are present in the solution. In this context, we obtained the signals of neutral, radical cation, and dication species of TTF and TTM-TTF. The experimental conditions were chosen in order to avoid the possible formation of π-dimer species and to obtain a satisfactory signal-to-noise ratio. A weak signal was detected for TTF and a stronger one for TTM-TTF. The changes induced by the oxidation process in the IR spectra of TTF and TTM-TTF have been analyze…
Attenuated Total Reflection-Fourier transform infrared analysis of the fermentation process of pineapple
2005
Abstract A direct and reagent free procedure has been developed to monitor the fermentation process of pine apple nectar using Attenuated Total Reflectance Fourier-transform mid-infrared spectrometry (FT-IR) and multivariate analysis. A classical 4 2 design for standards was employed for calibration using the information in the spectral range from 907 to 1531 cm −1 of the first order derivative spectra after mean centering of infrared data. The root mean square error of calibration (RMSEC) of 0.040, 0.021, 0.063 and 0.074% w/w were obtained for glucose, fructose, saccharose and ethanol, respectively, and a mean relative validation error of 2.9, 2.1, 2.6 and 3.6% was achieved for glucose, fr…
Cubic smoothing splines background correction in on-line liquid chromatography–Fourier transform infrared spectrometry
2010
A background correction method for the on-line coupling of gradient liquid chromatography and Fourier transform infrared spectrometry (LC-FTIR) is proposed. The developed approach applies univariate background correction to each variable (i.e. each wave number) individually. Spectra measured in the region before and after each peak cluster are used as knots to model the variation of the eluent absorption intensity with time using cubic smoothing splines (CSS) functions. The new approach has been successfully tested on simulated as well as on real data sets obtained from injections of standard mixtures of polyethylene glycols with four different molecular weights in methanol:water, 2-propano…