Search results for "State."

Synthesis, characterization, and cellular investigations of porphyrin– and chlorin–indomethacin conjugates for photodynamic therapy of cancer

2021

Indomethacin is a potent non-steroidal anti-inflammatory drug (NSAID) with a strong selective inhibitor activity towards cyclooxygenase-2 (COX-2), an enzyme that is highly overexpressed in various tumour cells, being involved in tumourigenesis. Concomitantly, porphyrins have gained much attention as promising photosensitizers (PSs) for the non-invasive photodynamic therapy (PDT) of cancer. Herein, we report the design, and determine the singlet oxygen generation capacity and in vitro cellular toxicity of porphyrin- and chlorin-indomethacin conjugates (P2-Ind and C2-Ind). Both the conjugates were obtained in high yields and were characterized by 1H, 19F and 13C NMR as well as by high resolut…

Initial validation of the Psychobiosocial States in Physical Education (PBS-SPE) scale

2018

The purpose of this cross-sectional investigation was to examine the item characteristics, factor structure, reliability, convergent validity, and nomological validity of the Psychobiosocial States in Physical Education (PBS-SPE) scale. In Study 1, a sample of 1,030 students (582 girls and 448 boys, 10 to 19-year-olds), drawn from middle or high schools, rated the intensity of the 20 items version of the PBS-SPE scale thinking about the feelings they had usually experienced in physical education classes. In Study 2, an additional sample of 1,025 students (578 girls, 447 boys, 10 to 19-year-olds), rated the 16 items of the final version of the scale. Two subsamples also completed an affectiv…

Protonation of the Biliverdin IXα Chromophore in the Red and Far-Red Photoactive States of Bacteriophytochrome

2019

The tetrapyrrole chromophore biliverdin IXα (BV) in the bacteriophytochrome from Deinococcus radiodurans (DrBphP) is usually assumed to be fully protonated, but this assumption has not been systematically validated by experiments or extensive computations. Here, we use force field molecular dynamics simulations and quantum mechanics/molecular mechanics calculations with density functional theory and XMCQDPT2 methods to investigate the effect of the five most probable protonation forms of BV on structural stability, binding pocket interactions, and absorption spectra in the two photochromic states of DrBphP. While agreement with X-ray structural data and measured UV/vis spectra suggest that …

VUV emission spectroscopy combined with H- density measurements in the ion source Prometheus I

2016

“Prometheus I” is a volume H− negative ion source, driven by a network of dipolar electron cyclotron resonance (ECR; 2.45 GHz) modules. The vacuum-ultraviolet (VUV) emission spectrum of low-temperature hydrogen plasmas may be related to molecular and atomic processes involved directly or indirectly in the production of negative ions. In this work, VUV spectroscopy has been performed in the above source, Prometheus I, both in the ECR zones and the bulk (far from ECR zones and surfaces) plasma. The acquired VUV spectra are correlated with the negative ion densities, as measured by means of laser photodetachment, and the possible mechanisms of negative ion production are considered. The well-e…

The role of polaronic states in the enhancement of CO oxidation by single-atom Pt/CeO2

2023

Single Atom Catalysts (SACs) have shown that the miniaturization of the active site implies new phenomena like dynamic charge transfer between isolated metal atoms and the oxide. To obtain direct proof of this character is challenging, as many experimental techniques provide averaged properties or have limitations with poorly conductive materials, leaving kinetic measurements from catalytic testing as the only reliable reference. Here we present an integrated Density Functional Theory-Microkinetic model including ground and metastable states to address the reactivity of Pt1/CeO2 for CO oxidation. Our results agree with experimentally available kinetic data in the literature and show that CO…

Noncovalent axial I∙∙∙Pt∙∙∙I interactions in platinum(II) complexes strengthen in the excited state

2021

Abstract Coordination compounds of platinum(II) participate in various noncovalent axial interactions involving metal center. Weakly bound axial ligands can be electrophilic or nucleophilic; however, interactions with nucleophiles are compromised by electron density clashing. Consequently, simultaneous axial interaction of platinum(II) with two nucleophilic ligands is almost unprecedented. Herein, we report structural and computational study of a platinum(II) complex possessing such intramolecular noncovalent I⋅⋅⋅Pt⋅⋅⋅I interactions. Structural analysis indicates that the two iodine atoms approach the platinum(II) center in a “side‐on” fashion and act as nucleophilic ligands. According to c…

Libertad religiosa y matrimonio

2019

Nuestra sociedad se caracteriza por ser globalizada, plural y diversa. Ello ha tenido su reflejo en los modelos de celebración del matrimonio que reconoce nuestro ordenamiento, siendo opcional para los contrayentes la elección de su modelo: matrimonio civil regulado por el Código civil, ya sea en forma civil o en las formas religiosas de las confesiones con acuerdo o con notorio arraigo, y el matrimonio canónico. Tomando como punto de partida el marco normativo, el trabajo explica los diversos modelos y la eficacia civil de los matrimonios religiosos. Seguidamente, analiza los desafíos que plantea a nuestra sociedad y derecho algunas cuestiones, como los matrimonios interculturales o interr…

Polarization of high harmonic generated spectra in ion

2013

We study the polarization of the harmonics generated by a homonuclear diatomic molecule in the presence of an intense, linearly polarized laser field. The polarization parameters of the emitted radiation are investigated as function of the angle $\theta$ between the laser electric field and the molecular axis. The calculations are carried out by assuming a single active electron model with fixed nuclei; a two-dimensional model of the system is used. We find a different dependence of the parameters of the harmonics vs $\theta$ in the first or second half of the emitted spectrum. In particular, the differences are accentuated for $0^\circ < \theta < 50^\circ$, while for higher angles, until t…

Emma Brockes ja Megan Rapinoe, Yksi elämä. Megan Rapinoen tarina

2021

Citizenship, populism and social work in the Finnish welfare state

2020

This chapter ties together discussions of citizenship and social work practice in the context of growing populist and neoliberal political trends in Finland. These political trends are manifested in populist right-wing nationalist movements on the one hand, and in the neoliberal dismantling of the welfare state on the other. Both political trends – right-wing nationalist populism and neoliberalism – tend to separate people into two groups: those who are ‘deserving’ and those who are ‘undeserving’. Simultaneously, the dynamics of globalisation have radically changed nation states and their traditional concepts of citizenship and related social rights. There is thus a need to redefine the und…