Search results for "Spectroscopy"
showing 10 items of 10293 documents
Morphology Influence on Wettability and Wetting Dynamics of ZnO Nanostructure Arrays
2022
This study has been supported by internal research grant No. 14-95/2021/10 of Daugavpils University “Development of the Nanostructured Metal Oxide Coatings and Their Application in Optical Sensing for Heavy Metal Detection”.
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…
The Major Heat Shock Proteins, Hsp70 and Hsp90, in 2-Methoxyestradiol-Mediated Osteosarcoma Cell Death Model
2020
2-Methoxyestradiol is one of the natural 17&beta
Solar neutrino spectroscopy in Borexino
2018
International audience; In more than ten years of operation, Borexino has performed a precision measurement of the solar neutrino spectrum, resolving almost all spectral components originating from the proton-proton fusion chain. The presentation will review the results recently released for the second data taking phase 2012–2016 during which the detector excelled by its unprecedentedly low background levels. New results on the rate of pp, 7Be, pep and 8B neutrinos as well as their implications for solar neutrino oscillations and metallicity are discussed.
Activation of Stainless Steel 316L Anode for Anion Exchange Membrane Water Electrolysis
2023
The increased emphasis on renewable energy has resulted in a surge of R&D efforts into hydrogen and battery research. The intensive electrochemical environment surrounding the anodic oxygen evolution reaction (OER) has plagued both the activity and stability of the catalytic layer, substrate and porous transport layer, ultimately affecting both these industries. Herein, we report the benefits of potential cycling (PC) a 316L stainless steel felt porous transport layer (PTL) for use in anion exchange membrane water electrolysis. The PC increased surface roughness and created a CrFe5Ni2-OxHy layer through the oxidation of iron as shown by SEM, EDS, XPS, XRD and Raman spectroscopy. Post-PC tes…