Search results for "SoMe"
showing 10 items of 5114 documents
Theoretical Study of the Electronic Spectrum of trans-Stilbene
1997
The electronic spectrum of trans-stilbene in the energy range up to 6 eV has been studied using multiconfigurational second-order perturbation theory (CASPT2). The study includes a geometry determination of the ground state. In all, 12 singlet and one triplet excited states were studied. The calculated spectrum makes it possible to assign the valence excited singlet states corresponding to the three bands observed in the low-energy region of the one-photon absorption spectrum. The most intense feature of the calculated spectrum corresponds to the 11Ag → 21Bu transition at 4.07 eV. The weakly allowed 11Bu state was found 0.3 eV below 21Bu. Transition to the 31Ag state, computed at 4.95 eV, i…
Force Distribution Analysis of Mechanochemically Reactive Dimethylcyclobutene
2013
Internal molecular forces can guide chemical reactions, yet are not straightforwardly accessible within a quantum mechanical description of the reacting molecules. Here, we present a force-matching force distribution analysis (FM-FDA) to analyze internal forces in molecules. We simulated the ring opening of trans-3,4-dimethylcyclobutene (tDCB) with on-the-fly semiempirical molecular dynamics. The self-consistent density functional tight binding (SCC-DFTB) method accurately described the force-dependent ring-opening kinetics of tDCB, showing quantitative agreement with both experimental and computational data at higher levels. Mechanical force was applied in two different ways, namely, exter…
SIA “Avenājs” attīstības iespēju izvērtējums
2016
Diplomdarba tēma ir “SIA “Avenājs” attīstības iespēju izvērtējums”. Par pētījuma objekti ir izvēlēts uzņēmums SIA “Avenājs”, tā darbības veids galvenokārt ir taksometru pakalpojumi. Diplomdarba mērķis ir apkopot un analizēt informāciju par taksometru pārvadājumiem Rīgā, analizēt uzņēmuma SIA “Avenājs” saimniecisko darbību, novērtēt finansiālo situāciju, izvērtēt attīstības iespējas, izstrādājot priekšlikumu turpmākai uzņēmuma attīstībai. Galvenie informācijas avoti ir SIA “Avenājs” nepublicētie materiāli un finanšu pārskati par periodu no 2010.gada līdz 2015.gadam Diplomdarbs sastāv no 3 daļām. Pirmajā nodaļā autore analīzes taksometru pārvadājumu nozari Rīgā; otrajā – uzņēmuma saimnieciskā…
Competing Decay Modes of a High-spin Isomer in the Proton-unbound Nucleus 158Ta
2015
An isomeric state at high spin and excitation energy was recently observed in the proton-unbound nucleus 158Ta. This state was observed to decay by both α and γ decay modes. The large spin change required to decay via γ-ray emission incurs a lifetime long enough for α decay to compete. The α decay has an energy of 8644(11) keV, which is among the highest observed in the region, a partial half-life of 440(70) µs and changes the spin by 11~. In this paper, additional evidence supporting the assignment of this α decay to the high-spin isomer in 158Ta will be presented. peerReviewed
Foucault: il potere oltre le regole. Repliche a Celano, Moreso, Segatti e Spena
2020
In questo articolo rispondo alle critiche e ai commenti alla mia ricostruzione della concezione del potere di Michel Foucault proposti da Bruno Celano, José Juan Moreso, Marco Segatti, Alessandro Spena. Mi concentro in particolare sui seguenti aspetti: la connessione fra la nozione foucaultiana di potere e il conflitto; la distinzione fra potere disciplinare, potere governamentale, e potere normativo; la concezione foucaultiana della libertà come autorialità; ciò che Foucault può suggerire riguardo ad alcune “macchie cieche” della teoria del diritto contemporanea.
On the Choice of the Extracellular Vesicles for Therapeutic Purposes
2019
Extracellular vesicles (EVs) are lipid membrane vesicles released by all human cells and are widely recognized to be involved in many cellular processes, both in physiological and pathological conditions. They are mediators of cell-cell communication, at both paracrine and systemic levels, and therefore they are active players in cell differentiation, tissue homeostasis, and organ remodeling. Due to their ability to serve as a cargo for proteins, lipids, and nucleic acids, which often reflects the cellular source, they should be considered the future of the natural nanodelivery of bio-compounds. To date, natural nanovesicles, such as exosomes, have been shown to represent a source of diseas…
Carboxylate catalyzed isomerization of β,γ‐unsaturated N-acetylcysteamine thioesters
2022
We demonstrate herein the capacity of simple carboxylate salts – tetrametylammonium and tetramethylguanidinium pivalate – to act as catalysts in the isomerization of β,γ-unsaturated thioesters to α,β-unsaturated thioesters. The carboxylate catalysts gave reaction rates comparable to those obtained with DBU, but with fewer side reactions. The reaction exhibits a normal secondary kinetic isotope effect ( k 1H / k 1D = 1.065±0.026) with a β,γ−deuterated substrate. Computational analysis of the mechanism provides a similar value ( k 1H / k 1D = 1.05) with a mechanism where γ-reprotonation of the enolate intermediate is rate determining. peerReviewed
Synthesis, antiproliferative activity, and in silico insights of new 3-benzoylamino-benzo[ b ]thiophene derivatives
2014
A new series of 3-benzoylamino-5-imidazol-5-yl-benzo[b]thiophenes and the parent amino derivatives were synthesized and screened as antitumor agents. All tested compounds showed concentration-dependent antiproliferative activity profile against HeLa cell line, exhibiting GI50 values in the low micromolar range. The most active compounds were tested in cell cycle perturbation experiments. A rapid accumulation of cells in the G2/M phase, with a concomitant reduction of cells in both the S and G0/G1 phases, was observed, suggesting that cell exposure to selected derivatives produces mitotic failure. To rationalize the biological results, the 3-benzoylamino-benzo[b]thiophenes were analyzed thro…
ACTO II / ACT II Mujeres / Women ¿Es gay la música de Chopin? Aspectos de la recepción de la música de Chopin en el siglo XIX
2021
Considering that it is difficult, if not impossible, for an analysis of Chopin?s music to unmask some aspects of his private life (such as an alleged sexual and affective attraction for individuals of his own sex), we can however argue that, throughout the 19th century, a connection was established between his work and a ?feminine universe.? That connection might have had implications in the way in which the feminized image of its author was constructed. The analysis of certain aesthetic and stylistic traits of Chopin?s music can help understand the causes of that perception.
La eutrofización en los lagos someros mediterráneos: aplicabilidad de la DMA y un caso de estudio experimental en mesocosmos
2013
Este trabajo se centra en su mayor parte en el estudio de los efectos más directos de la eutrofización en los lagos someros mediterráneos y en el funcionamiento ecológico de este tipo de lagos cuando son sometidos a un incremento en la carga de nutrientes y a la presencia de peces. El trabajo también aborda el estudio de las metodologías más apropiadas para la evaluación de estos lagos mediante la aplicación de la Directiva Marco Europea del Agua (DMA). Este trabajo tiene dos secciones principales, siendo cada una parte de dos proyectos europeos que incluían lagos someros de distintas localidades europeas:(1) El proyecto SWALE que pretendía establecer las diferencias en el funcionamiento ec…