Search results for "Spectroscopy"
showing 10 items of 10293 documents
Analysis of longitudinal metabolomic data using multivariate curve resolution-alternating least squares and pathway analysis
2023
Extraction of meaningful biological information from longitudinal metabolomic studies is a major challenge and typically involves multivariate analysis and dimensional reduction methods for data visualization such as Principal Component Analysis or Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS). Besides, a variety of computational tools have been developed to identify changes in metabolic pathways including functional analysis and pathway analysis. In this work, the joint analysis of results from MCR-ALS and metabolic pathway analysis is proposed to facilitate the interpretation of dynamic changes in longitudinal metabolomic data. The strategy is based on the use of MCR-A…
Identification of biomarkers in wastewater-based epidemiology: Main approaches and analytical methods
2021
Wastewater-based epidemiology (WBE) has become popular to estimate the use of drugs of abuse and recently to establish the incidence of CoVID 19 in large cities. However, its possibilities have been expanded recently as a technique that allows to establish a fingerprint of the characteristics of a city, such as state of health/disease, healthy/unhealthy living habits, exposure to different types of contaminants, etc. with respect to other cities. This has been thanks to the identification of human biomarkers as well as to the fingerprinting and profiling of the characteristics of the wastewater catchment that determine these circumstances. The purpose of this review is to analyze the differ…
Evaluation of proton MR spectroscopy at 3 Tesla without endorectal coil in patients with a localized prostate cancer treated with exclusive radiother…
2011
Prostate cancer is the most frequent tumour affecting the male population. When the prostate is not removed and is treated with radiation therapy, PSA slowly decreases over time to reach its nadir, even sometimes 18 to 24 months after the completion of radiation therapy without combined androgen suppression therapy. When combined with hormones, PSA falls abruptely with no possibility to perceive the impact of either hormones or radiation effects on PSA.The optimal value of PSA that should be reached after radiation therapy (nadir) and time to this nadir are still unclear.Even when a satisfactory value of the PSA nadir is reached, on-going variations of the PSA and its “bounce” effects, whic…
1H-NMR studies on poly(oxyethylene)-bound oligopeptides
1983
Conformational studies on poly(oxyethylene)-bound homo-, oligo-, guest-host, and sequential peptides synthesized according to the liquid-phase method were carried out by means of 1H-nmr spectroscopy. The solubilizing effect of the C-terminal polymeric support allowed a thorough investigation of the secondary structure in solution.
Possible functions of biomineralization of some Textulariid (Foraminifera) species of the Nw Iberian Margin
2016
The main goal of this work is to analyze the elemental composition of the test’s wall of some species/specimens of Textulariids (sub-class Subclass Textulariia), collected in surface sediments of the NW Iberian Margin. The elemental analyses was based on the Energy Dispersive Spectroscopy (EDS) on the Scanning Electron Microscope (SEM; Hitachi, S4100) of Textularia deltoidea, Textularia agglutinans, Sahulia conica, Karrerotextularia flintii, Siphotextularia heterostoma, Karreriella bradyi, Spiroplectammina sagittula and Arenoparrella mexicana . The elelemetal cocnentrations of the species wall were compared with the mineralogical composition (X-Ray diffraction) of the sediments of the stati…
Genesis of amorphous calcium carbonate containing alveolar plates in the ciliate Coleps hirtus (Ciliophora, Prostomatea).
2013
7 pages; International audience; In the protist world, the ciliate Coleps hirtus (phylum Ciliophora, class Prostomatea) synthesizes a peculiar biomineralized test made of alveolar plates, structures located within alveolar vesicles at the cell cortex. Alveolar plates are arranged by overlapping like an armor and they are thought to protect and/or stiffen the cell. Although their morphology is species-specific and of complex architecture, so far almost nothing is known about their genesis, their structure and their elemental and mineral composition. We investigated the genesis of new alveolar plates after cell division and examined cells and isolated alveolar plates by electron microscopy, e…
Climate variation during the Holocene influenced the skeletal properties of Chamelea gallina shells in the North Adriatic Sea (Italy)
2021
Understanding how marine taxa will respond to near-future climate changes is one of the main challenges for management of coastal ecosystem services. Ecological studies that investigate relationships between the environment and shell properties of commercially important marine species are commonly restricted to latitudinal gradients or small-scale laboratory experiments. This paper aimed to explore the variations in shell features and growth of the edible bivalve Chamelea gallina from the Holocene sedimentary succession to present-day thanatocoenosis of the Po Plain-Adriatic Sea system (Italy). Comparing the Holocene sub-fossil record to modern thanatocoenoses allowed obtaining an insight o…
Biomolecules and nanostructured systems : characterization by Surface Enhanced Raman Scattering (SERS)
2014
This work addressed the study of several kinds of nanostructured systems, biomolecules and inorganic thin films, mainly by Surface Enhanced Raman Spectroscopy (SERS). The aim was to investigate the structure and the chemical bonds. Transmission electron microscopy (TEM) was also used to complete the structural characterization of the different samples.Firstly, the study was conducted on molecules of biological interest. The aim was to study the interaction between silver nanoparticles and proteins. With this aim, silver nanoparticles bioconjugated with different proteins (hemoglobin, cytochrome C, BSA and lysozim) were synthesized. SERS results allowed concluding that proteins are chemisorb…
An ab initio potential energy surface for the C2H2-N2 system
2012
International audience; An ab initio potential energy surface determined at the CCSD(T) level of theory is presented for the van der Waals complex C2H2-N2. Additional calculations performed with the HF- and DFT-SAPT methods compare well with the CCSD(T) results and allow a better understanding of the main features of this interaction potential surface. An expansion of this surface over spherical harmonics has also been performed. The global energy minimum of the complex is obtained for the linear conformation. The T conformations are the least attractive. Such characteristics mainly arise because of the variation, in sign and in absolute value of the electrostatic energy between all these c…
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…