Search results for "Spectroscopy."
showing 10 items of 9110 documents
Statistical study of the influence of CNTs purification and plasma functionalization on the properties of Polycarbonate-CNTs nanocomposites
2014
This work reports a statistical study on the relationship between the chemical-physical properties of CNTs, which vary by changing the conditions of purification and plasma treatment, and the macroscopic properties of PC-based nanocomposites. CNTs are synthesized and then purified in two different ways and used as fillers for the preparation of PC/CNTs nanocomposites. In some cases, oxygen plasma treatment is carried out to improve their affinity to the matrix. The CNTs are characterized by TGA, ICP/OES and FT-Raman spectroscopy, titration and morphological analysis. Mechanical, dynamic-mechanical, electrical and morphological tests are used for characterizing PC/CNTs nanocomposites.
NMR and $\mu^{+}$SR detection of unconventional spin dynamics in Er(trensal) and Dy(trensal) molecular magnets
2019
Measurements of proton nuclear magnetic resonance (H1NMR) spectra and relaxation and of muon spin relaxation (μ+SR) have been performed as a function of temperature and external magnetic field on two isostructural lanthanide complexes, Er(trensal) and Dy(trensal) [where H3trensal=2,2′,2′′-tris-(salicylideneimino)triethylamine], featuring crystallographically imposed trigonal symmetry. Both the nuclear 1/T1 and muon λ longitudinal relaxation rates (LRRs) exhibit a peak for temperatures T < 30 K, associated to the slowing down of the spin dynamics, and the width of the NMR absorption spectra starts to increase significantly at T ∼50 K, a temperature sizably higher than the one of the LRR p…
Preparation of Nd:YAG Nanopowder in a Confined Environment
2007
Nanopowder of yttrium aluminum garnet (YAG, Y3Al5O12) doped with neodymium ions (Nd:YAG) was prepared in the water/cetyltrimethylammonium bromide/1-butanol/n-heptane system. Aluminum, yttrium, and neodymium nitrates were used as starting materials, and ammonia was used as a precipitating agent. Coprecipitate hydroxide precursors where thermally treated at 900 degrees C to achieve the garnet phase. The starting system with and without reactants was characterized by means of the small-angle neutron scattering technique. The system, without reactants, is constituted by a bicontinuous structure laying near the borderline with the lamellar phase region. The introduction of nitrates stabilizes th…
Surface modification of poly(ethylene-co-acrylic acid) with amino-functionalized silica nanoparticles
2011
In this work we studied the possibility to achieve a hybrid-surface through the modification, via a facile wet chemical process, of the surface of films of poly(ethylene-co-acrylic acid) (EAA) with amino-modified silica nanoparticles. Films of EAA were preliminarily activated by the introduction of -COCl groups on their surface. Silica nanoparticles were thereafter covalently bound on the polymeric surface as confirmed by FTIR, ATR-FTIR, XPS, NMR and SEM determinations. The nanoparticles formed a multilayer on the film surface and covered almost uniformly the whole film surface. Direct measurements of superficial amino groups by titration allowed us to detect a concentration of about 18 nmo…
Characterisation of single semiconductor nanowires by non-destructive spectroscopies
2015
Los nanohilos semiconductores (NWs, de su nombre inglés, nanowires) tienen una amplia gama de aplicaciones en el campo de la optoelectrónica (emisores de luz y diodos láser), nano-electrónica (circuitos lógicos y transistores de efecto de campo), y detección y producción de energía (células solares). En términos generales, los NWs pueden ser descritos como nanoestructuras de forma alargada con diámetros que van típicamente de decenas a cientos de nanómetros, y con longitudes que oscilan desde pocas hasta las decenas de micras. Dicha morfología ofrece dos ventajas principales en comparación con las capas: su alta relación superficie-volumen y su mayor calidad cristalina, ambas beneficiosas p…
Comparison of different theory models and basis sets in the calculation of 13C NMR chemical shifts of natural products.
2004
The influence of the calculation method in mimicking experimental 13C NMR chemical shifts of 15 low-polarity natural products singularly containing 10–20 carbon atoms was investigated by employing different quantum chemistry approaches and basis sets, both in the preliminary geometry optimizations and in the following single-point 13C GIAO calculations of the NMR chemical shifts. The geometries of the involved species were optimized at the PM3, HF, B3LYP and mPW1PW91 levels whereas the 13C NMR parameters were determined at the HF, B3LYP and mPW1PW91 levels. Different combinations of basis sets were also tested. The consistency and efficiency of the considered combinations of geometry optimi…
Four-Component Relativistic DFT Calculations of C-13 Chemical Shifts of Halogenated Natural Substances
2015
We have calculated the (13) C NMR chemical shifts of a large ensemble of halogenated organic molecules (81 molecules for a total of 250 experimental (13) C NMR data at four different levels of theory), ranging from small rigid organic compounds, used to benchmark the performance of various levels of theory, to natural substances of marine origin with conformational degrees of freedom. Carbon atoms bonded to heavy halogen atoms, particularly bromine and iodine, are known to be rather challenging when it comes to the prediction of their chemical shifts by quantum methods, due to relativistic effects. In this paper, we have applied the state-of-the-art four-component relativistic density funct…
Evaluación de la desaturación regional cerebral de oxígeno monitorizada mediante oximetría cerebral INVOS como método de detección de isquemia cerebr…
2022
Hipótesis: La monitorización de la saturación cerebral regional de oxígeno con el oxímetro INVOS- 5100 es eficaz en la detección de la isquemia cerebral intraoperatoria en la endarterectomía carotídea. Objetivo principal: Evaluar la oximetría cerebral INVOS como método de detección de isquemia cerebral en la cirugía carotídea. Para ello, se comparará el descenso en la saturación cerebral regional de oxígeno INVOS en el grupo de pacientes que presente clínica neurológica en el clampaje carotídeo con el grupo que permanece sin clínica. Objetivos secundarios: 1. Establecer un valor crítico de desaturación cerebral INVOS, absoluto y porcentual, a partir del cual aparece clínica neurológica y es…
Fabrication techniques for developing a functional microfluidic glass device suitable for detection in optical spectroscopy system
2012
Microfluidic devices offer the chance to manipulate and analyze fluids including bioassays and chemical reactions. In this study, a method to develop a microfluidic analysis system is proposed for detection of nanotubes by a Raman acquisition setup. Microchannels where fabricated in sodalime glass substrate by MeV ion beam lithography or electron beam lithography and wet etching. Fusion bonding (550 °C) was used to seal the microchannels. As a result a prototype microfluidic device with 1.6 µm deep channel that exhibit efficient sealing and suitable channel geometry was obtained. The microfluidic device was tested in a Raman spectroscopy detection system and the collected spectra showed the…
Mixtures identification of chemical compounds on the basis of their IR spectra by artificial intelligence
2012
Infrared (IR) spectrometric identification of individual chemical compounds from their mixtures is still a challenging process. Therefore, we developed a method in which we use the IR “Fingerprint” spectra of a particular chemical substance followed by artificial intelligence (AI) – based analysis to correctly characterise components of relatively simple chemical mixtures. We describe here the assembly of tools developed especially for this purpose as well as the artificial neural network design together with the requirements that must be met for its proper functioning. To test our approach, we used a mixture of amphetamine and creatinine which are difficult to identify in mixtures by stand…